diff --git a/.gitattributes b/.gitattributes index a6344aac8c09253b3b630fb776ae94478aa0275b..fef5ce4277344913836e26879c640600890a6921 100644 --- a/.gitattributes +++ b/.gitattributes @@ -33,3 +33,6 @@ saved_model/**/* filter=lfs diff=lfs merge=lfs -text *.zip filter=lfs diff=lfs merge=lfs -text *.zst filter=lfs diff=lfs merge=lfs -text *tfevents* filter=lfs diff=lfs merge=lfs -text +RFdiffusion/env/SE3Transformer/images/se3-transformer.png filter=lfs diff=lfs merge=lfs -text +RFdiffusion/img/diffusion_protein_gradient_2.jpg filter=lfs diff=lfs merge=lfs -text +RFdiffusion/pyrosetta-2023.14+release.7132bdc754a-cp310-cp310-linux_x86_64.whl filter=lfs diff=lfs merge=lfs -text diff --git a/RFdiffusion/.github/CODEOWNERS b/RFdiffusion/.github/CODEOWNERS new file mode 100644 index 0000000000000000000000000000000000000000..74c87fc18e1c797cf4b3fb87770c3b862a074a6e --- /dev/null +++ b/RFdiffusion/.github/CODEOWNERS @@ -0,0 +1,2 @@ +# Benchmark scripts +/.rosetta-ci @lyskov diff --git a/RFdiffusion/.gitignore b/RFdiffusion/.gitignore new file mode 100644 index 0000000000000000000000000000000000000000..95d26ec78e18b5e4fb8448b5045b3146a8291180 --- /dev/null +++ b/RFdiffusion/.gitignore @@ -0,0 +1,16 @@ +*.py[cod] +rfdiffusion.egg-info + +models/ +schedules/ + +examples/ppi_scaffolds + +tests/.results.json +tests/input_pdbs +tests/outputs +tests/ppi_scaffolds +tests/reference_outputs/ +tests/target_folds +tests/tim_barrel_scaffold +tests/tests_* diff --git a/RFdiffusion/.ipynb_checkpoints/untitled-checkpoint.py b/RFdiffusion/.ipynb_checkpoints/untitled-checkpoint.py new file mode 100644 index 0000000000000000000000000000000000000000..e69de29bb2d1d6434b8b29ae775ad8c2e48c5391 diff --git a/RFdiffusion/.rosetta-ci/.gitignore b/RFdiffusion/.rosetta-ci/.gitignore new file mode 100644 index 0000000000000000000000000000000000000000..cbf5f71ef5463717f9c3dcb0de2ae713eadfe78e --- /dev/null +++ b/RFdiffusion/.rosetta-ci/.gitignore @@ -0,0 +1,3 @@ +*.pyc +results/ +benchmark.ubuntu.ini diff --git a/RFdiffusion/.rosetta-ci/benchmark.py b/RFdiffusion/.rosetta-ci/benchmark.py new file mode 100644 index 0000000000000000000000000000000000000000..9dcbd68be34ea7dee2f741907c7d24a058cf0d0d --- /dev/null +++ b/RFdiffusion/.rosetta-ci/benchmark.py @@ -0,0 +1,410 @@ +#!/usr/bin/env python3 +# -*- coding: utf-8 -*- +# :noTabs=true: + +# (c) Copyright Rosetta Commons Member Institutions. +# (c) This file is part of the Rosetta software suite and is made available under license. +# (c) The Rosetta software is developed by the contributing members of the Rosetta Commons. +# (c) For more information, see http://www.rosettacommons.org. Questions about this can be +# (c) addressed to University of Washington CoMotion, email: license@uw.edu. + +## @file benchmark.py +## @brief Run arbitrary Rosetta testing script +## @author Sergey Lyskov + +from __future__ import print_function + +import os, os.path, sys, shutil, json, platform, re +import codecs + +from importlib.machinery import SourceFileLoader + +from configparser import ConfigParser, ExtendedInterpolation +import argparse + +from tests import * # execute, Tests states and key names +from hpc_drivers import * + + +# Calculating value of Platform dict +Platform = {} +if sys.platform.startswith("linux"): + Platform['os'] = 'ubuntu' if os.path.isfile('/etc/lsb-release') and 'Ubuntu' in open('/etc/lsb-release').read() else 'linux' # can be linux1, linux2, etc +elif sys.platform == "darwin" : Platform['os'] = 'mac' +elif sys.platform == "cygwin" : Platform['os'] = 'cygwin' +elif sys.platform == "win32" : Platform['os'] = 'windows' +else: Platform['os'] = 'unknown' + +#Platform['arch'] = platform.architecture()[0][:2] # PlatformBits +Platform['compiler'] = 'gcc' if Platform['os'] == 'linux' else 'clang' + +Platform['python'] = sys.executable + + +def load_python_source_from_file(module_name, module_path): + ''' replacment for deprecated imp.load_source + ''' + return SourceFileLoader(module_name, module_path).load_module() + + +class Setup(object): + __slots__ = 'test working_dir platform config compare debug'.split() # version daemon path_to_previous_test + def __init__(self, **attrs): + #self.daemon = True + for k, v in attrs.items(): + if k in self.__slots__: setattr(self, k, v) + + +def setup_from_options(options): + ''' Create Setup object based on user supplied options, config files and auto-detection + ''' + platform = dict(Platform) + + if options.suffix: options.suffix = '.' + options.suffix + + platform['extras'] = options.extras.split(',') if options.extras else [] + platform['python'] = options.python + #platform['options'] = json.loads( options.options ) if options.options else {} + + if options.memory: memory = options.memory + elif platform['os'] in ['linux', 'ubuntu']: memory = int( execute('Getting memory info...', 'free -m', terminate_on_failure=False, silent=True, silence_output_on_errors=True, return_='output').split('\n')[1].split()[1]) // 1024 + elif platform['os'] == 'mac': memory = int( execute('Getting memory info...', 'sysctl -a | grep hw.memsize', terminate_on_failure=False, silent=True, silence_output_on_errors=True, return_='output').split()[1]) // 1024 // 1024 // 1024 + + platform['compiler'] = options.compiler + + if os.path.isfile(options.config): + with open(options.config) as f: + if '%(here)s' in f.read(): + print(f"\n\n>>> ERROR file `{options.config}` seems to be in outdated format! Please use benchmark.template.ini to update it.") + sys.exit(1) + + user_config = ConfigParser( + dict( + _here_ = os.path.abspath('./'), + _user_home_ = os.environ['HOME'] + ), + interpolation = ExtendedInterpolation() + ) + + with open(options.config) as f: user_config.readfp(f) + + else: + print(f"\n\n>>> Config file `{options.config}` not found. You may want to manually copy `benchmark.ini.template` to `{options.config}` and edit the settings\n\n") + user_config = ConfigParser() + user_config.set('main', 'cpu_count', '1') + user_config.set('main', 'hpc_driver', 'MultiCore') + user_config.set('main', 'branch', 'unknown') + user_config.set('main', 'revision', '42') + user_config.set('main', 'user_name', 'Jane Roe') + user_config.set('main', 'user_email', 'jane.roe@university.edu') + user_config.add_section('main') + + if options.jobs: user_config.set('main', 'cpu_count', str(options.jobs) ) + user_config.set('main', 'memory', str(memory) ) + + if options.mount: + for m in options.mount: + key, _, path = m.partition(':') + user_config.set('mount', key, path) + + #config = Config.items('config') + #for section in config.sections(): print('Config section: ', section, dict(config.items(section))) + #config = { section: dict(Config.items(section)) for section in Config.sections() } + + config = { k : d for k, d in user_config['main'].items() if k not in user_config[user_config.default_section] } + config['mounts'] = { k : d for k, d in user_config['mount'].items() if k not in user_config[user_config.default_section] } + + #print(json.dumps(config, sort_keys=True, indent=2)); sys.exit(1) + + #config.update( config.pop('config').items() ) + + config = dict(config, + cpu_count = user_config.getint('main', 'cpu_count'), + memory = memory, + revision = user_config.getint('main', 'revision'), + emulation=True, + ) # debug=options.debug, + + if 'results_root' not in config: config['results_root'] = os.path.abspath('./results/') + + if 'prefix' in config: + assert os.path.isabs( config['prefix'] ), f'ERROR: `prefix` path must be absolute! Got: {config["prefix"]}' + + else: config['prefix'] = os.path.abspath( config['results_root'] + '/prefix') + + config['merge_head'] = options.merge_head + config['merge_base'] = options.merge_base + + if options.skip_compile is not None: config['skip_compile'] = options.skip_compile + + #print(f'Results path: {config["results_root"]}') + #print('Config:{}, Platform:{}'.format(json.dumps(config, sort_keys=True, indent=2), Platform)) + + if options.compare: print('Comparing tests {} with suffixes: {}'.format(options.args, options.compare) ) + else: print('Running tests: {}'.format(options.args) ) + + if len(options.args) != 1: print('Error: Single test-name-to-run should be supplied!'); sys.exit(1) + else: + test = options.args[0] + if test.startswith('tests/'): test = test.partition('tests/')[2][:-3] # removing dir prefix and .py suffix + + if options.compare: + compare = options.compare[0], options.compare[1] # (this test suffix, previous test suffix) + working_dir = os.path.abspath( config['results_root'] + f'/{platform["os"]}.{test}' ) # will be a root dir with sub-dirs (options.compare[0], options.compare[1]) + else: + compare = None + working_dir = os.path.abspath( config['results_root'] + f'/{platform["os"]}.{test}{options.suffix}' ) + + + if os.path.isdir(working_dir): shutil.rmtree(working_dir); #print('Removing old job dir %s...' % working_dir) # remove old dir if any + os.makedirs(working_dir) + + setup = Setup( + test = test, + working_dir = working_dir, + platform = platform, + config = config, + compare = compare, + debug = options.debug, + #daemon = False, + ) + + setup_as_json = json.dumps( { k : getattr(setup, k) for k in setup.__slots__}, sort_keys=True, indent=2) + with open(working_dir + '/.setup.json', 'w') as f: f.write(setup_as_json) + + #print(f'Detected hardware platform: {Platform}') + print(f'Setup: {setup_as_json}') + return setup + + +def truncate_log(log): + _max_log_size_ = 1024*1024*1 + _max_line_size_ = _max_log_size_ // 2 + + if len(log) > _max_log_size_: + new = log + lines = log.split('\n') + + if len(lines) > 256: + new_lines = lines[:32] + ['...truncated...'] + lines[-128:] + new = '\n'.join(new_lines) + + if len(new) > _max_log_size_: # special case for Ninja logs that does not use \n + lines = re.split(r'[\r\n]*', log) #t.log.split('\r') + if len(lines) > 256: new = '\n'.join( lines[:32] + ['...truncated...'] + lines[-128:] ) + + if len(new) > _max_log_size_: # going to try to truncate each individual line... + print(f'Trying to truncate log line-by-line...') + new = '\n'.join( ( + ( line[:_max_line_size_//3] + '...truncated...' + line[-_max_line_size_//3:] ) if line > _max_line_size_ else line + for line in new_lines ) ) + + if len(new) > _max_log_size_: # fall-back strategy in case all of the above failed... + print(f'WARNING: could not truncate log line-by-line, falling back to raw truncate...') + new = 'WARNING: could not truncate test log line-by-line, falling back to raw truncate!\n...truncated...\n' + ( '\n'.join(lines) )[-_max_log_size_+256:] + + print( 'Trunacting test output log: {0}MiB --> {1}MiB'.format(len(log)/1024/1024, len(new)/1024/1024) ) + + log = new + + return log + +def truncate_results_logs(results): + results[_LogKey_] = truncate_log( results[_LogKey_] ) + if _ResultsKey_ in results and _TestsKey_ in results[_ResultsKey_]: + tests = results[_ResultsKey_][_TestsKey_] + for test in tests: + tests[test][_LogKey_] = truncate_log( tests[test][_LogKey_] ) + + +def find_test_description(test_name, test_script_file_name): + ''' return content of test-description file if any or None if no description was found + ''' + + def find_description_file(prefix, test_name): + fname = prefix + test_name + '.md' + if os.path.isfile(fname): return fname + return prefix + 'md' + + description_file_name = find_description_file( test_script_file_name[:-len('command.py')] + 'description.', test_name) if test_script_file_name.endswith('/command.py') else find_description_file(test_script_file_name[:-len('py')], test_name) + + if description_file_name and os.path.isfile(description_file_name): + print(f'Found test suite description in file: {description_file_name!r}') + with open(description_file_name, encoding='utf-8', errors='backslashreplace') as f: description = f.read() + return description + + else: return None + + + +def run_test(setup): + #print(f'{setup!r}') + suite, rest = setup.test.split('.'), [] + while suite: + #print( f'suite: {suite}, test: {rest}' ) + + file_name = '/'.join( ['tests'] + suite ) + '.py' + if os.path.isfile(file_name): break + + file_name = '/'.join( ['tests'] + suite ) + '/command.py' + if os.path.isfile(file_name): break + + rest.insert(0, suite.pop()) + + + test = '.'.join( suite + rest ) + test_name = '.'.join(rest) + + print( f'Loading test from: {file_name}, suite+test: {test!r}, test: {test_name!r}' ) + #test_suite = imp.load_source('test_suite', file_name) + test_suite = load_python_source_from_file('test_suite', file_name) + + test_description = find_test_description(test_name, file_name) + + if setup.compare: + #working_dir_1 = os.path.abspath( config['results_root'] + f'/{Platform["os"]}.{test}.{Options.compare[0]}' ) + working_dir_1 = setup.working_dir + f'/{setup.compare[0]}' + + working_dir_2 = setup.compare[1] and ( setup.working_dir + f'/{setup.compare[1]}' ) + res_2_json_file_path = setup.compare[1] and f'{working_dir_2}/.execution.results.json' + + with open(working_dir_1 + '/.execution.results.json') as f: res_1 = json.load(f).get(_ResultsKey_) + + if setup.compare[1] and ( not os.path.isfile(res_2_json_file_path) ): + setup.compare[1] = None + state_override = _S_failed_ + else: + state_override = None + + if setup.compare[1] == None: res_2, working_dir_2 = None, None + else: + with open(res_2_json_file_path) as f: res_2 = json.load(f).get(_ResultsKey_) + + res = test_suite.compare(test, res_1, working_dir_1, res_2, working_dir_2) + + if state_override: + log_prefix = \ + f'WARNING: Previous test results does not have `.execution.results.json` file, so comparision with None was performed instead!\n' \ + f'WARNING: Overriding calcualted test state `{res[_StateKey_]}` → `{_S_failed_}`...\n\n' + + res[_LogKey_] = log_prefix + res[_LogKey_] + res[_StateKey_] = _S_failed_ + + + # # Caution! Some of the strings in the result object may be unicode. Be robust to unicode in the log messages. + # with codecs.open(setup.working_dir+'/.comparison.log.txt', 'w', encoding='utf-8', errors='replace') as f: f.write( truncate_log( res[_LogKey_] ) ) + # res[_LogKey_] = truncate_log( res[_LogKey_] ) + + # # Caution! Some of the strings in the result object may be unicode. Be robust to unicode in the log messages. + with codecs.open(setup.working_dir+'/.comparison.log.txt', 'w', encoding='utf-8', errors='replace') as f: f.write(res[_LogKey_]) + truncate_results_logs(res) + + print( 'Comparison finished with output:\n{}'.format( res[_LogKey_] ) ) + + with open(setup.working_dir+'/.comparison.results.json', 'w') as f: json.dump(res, f, sort_keys=True, indent=2) + + #print( 'Comparison finished with results:\n{}'.format( json.dumps(res, sort_keys=True, indent=2) ) ) + if 'summary' in res: print('Summary section:\n{}'.format( json.dumps(res['summary'], sort_keys=True, indent=2) ) ) + + print( f'Output results of this comparison saved to {working_dir_1}/.comparison.results.json\nComparison log saved into {working_dir_1}/.comparison.log.txt' ) + + + else: + working_dir = setup.working_dir #os.path.abspath( setup.config['results_root'] + f'/{platform["os"]}.{test}{options.suffix}' ) + + hpc_driver_name = setup.config['hpc_driver'] + hpc_driver = None if hpc_driver_name in ['', 'none'] else eval(hpc_driver_name + '_HPC_Driver')(working_dir, setup.config, tracer=print, set_daemon_message=lambda x:None) + + api_version = test_suite._api_version_ if hasattr(test_suite, '_api_version_') else '' + + # if api_version < '1.0': + # res = test_suite.run(test=test_name, rosetta_dir=os.path.abspath('../..'), working_dir=working_dir, platform=dict(Platform), jobs=Config.cpu_count, verbose=True, debug=Options.debug) + # else: + + if api_version == '1.0': res = test_suite.run(test=test_name, repository_root=os.path.abspath('./..'), working_dir=working_dir, platform=dict(setup.platform), config=setup.config, hpc_driver=hpc_driver, verbose=True, debug=setup.debug) + else: + print(f'Test benchmark api_version={api_version} is not supported!'); sys.exit(1) + + if not isinstance(res, dict): print(f'Test returned result of type {type(res)} while dict-like object was expected, please check that test-script have correct `return` statment! Terminating...'); sys.exit(1) + + # Caution! Some of the strings in the result object may be unicode. Be robust to unicode in the log messages + with codecs.open(working_dir+'/.execution.log.txt', 'w', encoding='utf-8', errors='replace') as f: f.write( res[_LogKey_] ) + + # res[_LogKey_] = truncate_log( res[_LogKey_] ) + truncate_results_logs(res) + + if _DescriptionKey_ not in res: res[_DescriptionKey_] = test_description + + if res[_StateKey_] not in _S_Values_: print( 'Warning!!! Test {} failed with unknow result code: {}'.format(test_name, res[_StateKey_]) ) + else: print( f'Test {test} finished with output:\n{res[_LogKey_]}\n----------------------------------------------------------------\nState: {res[_StateKey_]!r} | ', end='') + + # JSON by default serializes to an ascii-encoded format + with open(working_dir+'/.execution.results.json', 'w') as f: json.dump(res, f, sort_keys=True, indent=2) + + print( f'Output and full log of this test saved to:\n{working_dir}/.execution.results.json\n{working_dir}/.execution.log.txt' ) + + + + + + +def main(args): + ''' Script to Run arbitrary Rosetta test + ''' + parser = argparse.ArgumentParser(usage="Main testing script to run tests in the tests directory. " + "Use the --skip-compile to skip the build phase when testing locally. " + "Example Command: /benchmark.py -j2 integration.valgrind") + + parser.add_argument('-j', '--jobs', default=0, type=int, help="Number of processors to use on when building. (default: use value from config file or 1)") + + parser.add_argument('-m', '--memory', default=0, type=int, help="Amount of memory to use (default: use 2Gb per job") + + parser.add_argument('--compiler', default=Platform['compiler'], help="Compiler to use") + + #parser.add_argument('--python', default=('3.9' if Platform['os'] == 'mac' else '3.6'), help="Python interpreter to use") + parser.add_argument('--python', default=f'{sys.version_info.major}.{sys.version_info.minor}.s', help="Specify version of Python interpreter to use, for example '3.9'. If '.s' added to end of version string then use the same interpreter that was used to start this script. Default: '?.?.s'") + + parser.add_argument("--extras", default='', help="Specify scons extras separated by ',': like --extras=mpi,static" ) + + parser.add_argument("--debug", action="store_true", dest="debug", default=False, help="Run specified test in debug mode (not with debug build!) this mean different things and depend on the test. Could be: skip the build phase, skip some of the test phases and so on. [off by default]" ) + + parser.add_argument("--suffix", default='', help="Specify ending suffix for test output dir. This is useful when you want to save test results in different dir for later comparison." ) + + parser.add_argument("--compare", nargs=2, help="Do not run the tests but instead compare previous results. Use --compare suffix1 suffix2" ) + + parser.add_argument("--config", default='benchmark.{os}.ini'.format(os=Platform['os']), action="store", help="Location of .ini file with additional options configuration. Optional.") + + parser.add_argument("--skip-compile", dest='skip_compile', default=None, action="store_true", help="Skip the compilation phase. Assumes the binaries are already compiled locally.") + + #parser.add_argument("--results-root", default=None, action="store", help="Location of `results` dir default is to use `./results`") + + parser.add_argument("--setup", default=None, help="Specify JSON file with setup information. When this option supplied all other config and commandline options is ignored and auto-detection disable. Test, platform info will be gathered from provided JSON file. This option is designed to be used in daemon mode." ) + + parser.add_argument("--merge-head", default='HEAD', help="Specify SHA1/branch-name that will be used for `merge-head` value when simulating PR testing" ) + + parser.add_argument("--merge-base", default='origin/master', help="Specify SHA1/branch-name that will be used for `merge-base` value when simulating PR testing" ) + + parser.add_argument("--mount", action="append", help="Specify one of the mount points, like: --mount release_root:/some/path. This option could be used multiple times if needed" ) + + + parser.add_argument('args', nargs=argparse.REMAINDER) + + options = parser.parse_args(args=args[1:]) + + if any( [a.startswith('-') for a in options.args] ) : + print( '\nWARNING WARNING WARNING WARNING\n' ) + print( '\tInterpreting', ' '.join(["'"+a+"'" for a in options.args if a.startswith('-')]), 'as test name(s), rather than as option(s).' ) + print( "\tTry moving it before any test name, if that's not what you want." ) + print( '\nWARNING WARNING WARNING WARNING\n' ) + + + if options.setup: + with open(options.setup) as f: setup = Setup( **json.load(f) ) + + else: + setup = setup_from_options(options) + + run_test(setup) + + +if __name__ == "__main__": main(sys.argv) diff --git a/RFdiffusion/.rosetta-ci/benchmark.template.ini b/RFdiffusion/.rosetta-ci/benchmark.template.ini new file mode 100644 index 0000000000000000000000000000000000000000..93fb6333382a8cda5794695c9dbe406a910b2d9b --- /dev/null +++ b/RFdiffusion/.rosetta-ci/benchmark.template.ini @@ -0,0 +1,40 @@ +# +# Benchmark script configuration file. Some of the tests require some system specific options to run. Please see benchmark.ini.template for list of available options. +# + +[DEFAULT] + +[main] # additional config-options for various tests. All this fields will be pass as keys in 'config' function argument + +# how many jobs daemon can run on host machine (this is not related to HPC jobs) +cpu_count = 24 + +# how many memory in GB daemon can use on host machine (approximation, float) +memory = 64 + +# user name and email for user who submitted this test +user_name = Jane Roe +user_email = jane.roe@university.edu + +# HPC Driver, might have one of the following values: MultiCore, Condor, Slurm or none if no HPC Driver should be configured +hpc_driver = MultiCore + +# when running by daemons branch:revision will be set to appropriate values to represent currently checked version of main repository +branch = unknown +revision = 42 + +# path to directory where test results will be stored +results_root = ${_here_}/results + +release_root = ./results/_release_ + +[slurm] +# head-node host name, if specified will be used to submit jobs +head_node = + + +[mount] +# list of key:path pairs that will be avalible as config.mounts during test run + +# path to releases, leave empty if release production should not be supported by this daemon +release_root = ${_here_}/release diff --git a/RFdiffusion/.rosetta-ci/hpc_drivers/__init__.py b/RFdiffusion/.rosetta-ci/hpc_drivers/__init__.py new file mode 100644 index 0000000000000000000000000000000000000000..5ff7e16817343c489cd641c2bf8603db9291aa41 --- /dev/null +++ b/RFdiffusion/.rosetta-ci/hpc_drivers/__init__.py @@ -0,0 +1,5 @@ +# -*- coding: utf-8 -*- +# :noTabs=true: + +from .multicore import MultiCore_HPC_Driver +from .slurm import Slurm_HPC_Driver diff --git a/RFdiffusion/.rosetta-ci/hpc_drivers/base.py b/RFdiffusion/.rosetta-ci/hpc_drivers/base.py new file mode 100644 index 0000000000000000000000000000000000000000..4dfb3cb94563179af5a28ec8ddad243b8d7d4e1c --- /dev/null +++ b/RFdiffusion/.rosetta-ci/hpc_drivers/base.py @@ -0,0 +1,210 @@ +# -*- coding: utf-8 -*- +# :noTabs=true: + +import os, sys, subprocess, stat +import time as time_module +import signal as signal_module + +class NT: # named tuple + def __init__(self, **entries): self.__dict__.update(entries) + def __repr__(self): + r = 'NT: |' + for i in dir(self): + if not i.startswith('__') and not isinstance(getattr(self, i), types.MethodType): r += '{} --> {}, '.format(i, getattr(self, i)) + return r[:-2]+'|' + + + +class HPC_Exception(Exception): + def __init__(self, value): self.value = value + def __str__(self): return self.value + + + +def execute(message, command_line, return_='status', until_successes=False, terminate_on_failure=True, silent=False, silence_output=False, tracer=print): + if not silent: tracer(message); tracer(command_line); sys.stdout.flush(); + while True: + + p = subprocess.Popen(command_line, bufsize=0, shell=True, stdout=subprocess.PIPE, stderr=subprocess.PIPE) + output, errors = p.communicate() + + output = output + errors + + output = output.decode(encoding="utf-8", errors="replace") + + exit_code = p.returncode + + if exit_code and not (silent or silence_output): tracer(output); sys.stdout.flush(); + + if exit_code and until_successes: pass # Thats right - redability COUNT! + else: break + + tracer( "Error while executing {}: {}\n".format(message, output) ) + tracer("Sleeping 60s... then I will retry...") + sys.stdout.flush(); + time.sleep(60) + + if return_ == 'tuple': return(exit_code, output) + + if exit_code and terminate_on_failure: + tracer("\nEncounter error while executing: " + command_line) + if return_==True: return True + else: print("\nEncounter error while executing: " + command_line + '\n' + output); sys.exit(1) + + if return_ == 'output': return output + else: return False + + +def Sleep(time_, message, dict_={}): + ''' Fancy sleep function ''' + len_ = 0 + for i in range(time_, 0, -1): + #print "Waiting for a new revision:%s... Sleeping...%d \r" % (sc.revision, i), + msg = message.format( **dict(dict_, time_left=i) ) + print( msg, end='' ) + len_ = max(len_, len(msg)) + sys.stdout.flush() + time_module.sleep(1) + + print( ' '*len_ + '\r', end='' ) # erazing sleep message + + +# Abstract class for HPC job submission +class HPC_Driver: + def __init__(self, working_dir, config, tracer=lambda x:None, set_daemon_message=lambda x:None): + self.working_dir = working_dir + self.config = config + self.cpu_usage = 0.0 # cummulative cpu usage in hours + self.tracer = tracer + self.set_daemon_message = set_daemon_message + + self.cpu_count = self.config['cpu_count'] if type(config) == dict else self.config.getint('DEFAULT', 'cpu_count') + + self.jobs = [] # list of all jobs currently running by this driver, Job class is driver depended, could be just int or something more complex + + self.install_signal_handler() + + + def __del__(self): + self.remove_signal_handler() + + + def execute(self, executable, arguments, working_dir, log_dir=None, name='_no_name_', memory=256, time=24, shell_wrapper=False, block=True): + ''' Execute given command line on HPC cluster, must accumulate cpu hours in self.cpu_usage ''' + if log_dir==None: log_dir=self.working_dir + + if shell_wrapper: + shell_wrapper_sh = os.path.abspath(self.working_dir + '/hpc.{}.shell_wrapper.sh'.format(name)) + with file(shell_wrapper_sh, 'w') as f: f.write('#!/bin/bash\n{} {}\n'.format(executable, arguments)); os.fchmod(f.fileno(), stat.S_IEXEC | stat.S_IREAD | stat.S_IWRITE) + executable, arguments = shell_wrapper_sh, '' + + return self.submit_serial_hpc_job(name=name, executable=executable, arguments=arguments, working_dir=working_dir, log_dir=log_dir, jobs_to_queue=1, memory=memory, time=time, block=block, shell_wrapper=shell_wrapper) + + + + @property + def number_of_cpu_per_node(self): + must_be_implemented_in_inherited_classes + + @property + def maximum_number_of_mpi_cpu(self): + must_be_implemented_in_inherited_classes + + + def submit_hpc_job(self, name, executable, arguments, working_dir, jobs_to_queue, log_dir, memory=512, time=12, block=True, shell_wrapper=False): + print('submit_hpc_job is DEPRECATED and will be removed in near future, please use submit_serial_hpc_job instead!') + must_be_implemented_in_inherited_classes + + + def submit_serial_hpc_job(self, name, executable, arguments, working_dir, jobs_to_queue, log_dir, memory=512, time=12, block=True, shell_wrapper=False): + must_be_implemented_in_inherited_classes + + + def submit_mpi_hpc_job(self, name, executable, arguments, working_dir, log_dir, memory=512, time=12, block=True, process_coefficient="1", requested_nodes=1, requested_processes_per_node=1): + ''' submit jobs as MPI job + process_coefficient should be string representing fraction of process to launch on each node, for example '3 / 4' will start only 75% of MPI process's on each node + ''' + must_be_implemented_in_inherited_classes + + + def cancel_all_jobs(self): + ''' Cancel all HPC jobs known to this driver, use this as signal handler for script termination ''' + for j in self.jobs: self.cancel_job(j) + + def block_until(self, silent, fn, *args, **kwargs): + ''' + **fn must have the driver as the first argument** + example: + def fn(driver): + jobs = list(driver.jobs) + jobs = [job for job in jobs if not driver.complete(job)] + if len(jobs) <= 8: + return False # stops sleeping + return True # continues sleeping + + for x in range(100): + hpc_driver.submit_hpc_job(...) + hpc_driver.block_until(False, fn) + ''' + while fn(self, *args, **kwargs): + sys.stdout.flush() + time_module.sleep(60) + if not silent: + Sleep(1, '"Waiting for HPC job(s) to finish, sleeping {time_left}s\r') + + def wait_until_complete(self, jobs=None, callback=None, silent=False): + ''' Helper function, wait until given jobs list is finished, if no argument is given waits until all jobs known by driver is finished ''' + jobs = jobs if jobs else self.jobs + + while jobs: + for j in jobs[:]: + if self.complete(j): jobs.remove(j) + + if jobs: + #total_cpu_queued = sum( [j.jobs_queued for j in jobs] ) + #total_cpu_running = sum( [j.cpu_running for j in jobs] ) + #self.set_daemon_message("Waiting for HPC job(s) to finish... [{} process(es) in queue, {} process(es) running]".format(total_cpu_queued, total_cpu_running) ) + #self.tracer("Waiting for HPC job(s) [{} process(es) in queue, {} process(es) running]... \r".format(total_cpu_queued, total_cpu_running), end='') + #print "Waiting for {} HPC jobs to finish... [{} jobs in queue, {} jobs running]... Sleeping 32s... \r".format(total_cpu_queued, cpu_queued+cpu_running, cpu_running), + + self.set_daemon_message("Waiting for HPC {} job(s) to finish...".format( len(jobs) ) ) + #self.tracer("Waiting for HPC {} job(s) to finish...".format( len(jobs) ) ) + + sys.stdout.flush() + + if callback: callback() + + if silent: time_module.sleep(64*1) + else: Sleep(64, '"Waiting for HPC {n_jobs} job(s) to finish, sleeping {time_left}s \r', dict(n_jobs=len(jobs))) + + + + _signals_ = [signal_module.SIGINT, signal_module.SIGTERM, signal_module.SIGABRT] + def install_signal_handler(self): + def signal_handler(signal_, frame): + self.tracer('Recieved signal:{}... Canceling HPC jobs...'.format(signal_) ) + self.cancel_all_jobs() + self.set_daemon_message( 'Remote daemon got terminated with signal:{}'.format(signal_) ) + sys.exit(1) + + for s in self._signals_: signal_module.signal(s, signal_handler) + + + def remove_signal_handler(self): # do we really need this??? + try: + for s in self._signals_: signal_module.signal(s, signal_module.SIG_DFL) + #print('remove_signal_handler: done!') + + except TypeError: + #print('remove_signal_handler: interpreted terminating, skipping remove_signal_handler...') + pass + + + def cancel_job(self, job_id): + must_be_implemented_in_inherited_classes + + + def complete(self, job_id): + ''' Return job completion status. Return True if job complered and False otherwise + ''' + must_be_implemented_in_inherited_classes diff --git a/RFdiffusion/.rosetta-ci/hpc_drivers/multicore.py b/RFdiffusion/.rosetta-ci/hpc_drivers/multicore.py new file mode 100644 index 0000000000000000000000000000000000000000..dba910e94847b20595ca8325df32e3fc1605ec0e --- /dev/null +++ b/RFdiffusion/.rosetta-ci/hpc_drivers/multicore.py @@ -0,0 +1,184 @@ +# -*- coding: utf-8 -*- +# :noTabs=true: + +import time as time_module +import codecs +import signal + +import os, sys + +try: + from .base import * + +except ImportError: # workaround for B2 back-end's + import imp + imp.load_source(__name__, '/'.join(__file__.split('/')[:-1]) + '/base.py') # A bit of Python magic here, what we trying to say is this: from base import *, but path to base is calculated from our source location # from base import HPC_Driver, execute, NT + + +class MultiCore_HPC_Driver(HPC_Driver): + + class JobID: + def __init__(self, pids=None): + self.pids = pids if pids else [] + + + def __bool__(self): return bool(self.pids) + + + def __len__(self): return len(self.pids) + + + def add_pid(self, pid): self.pids.append(pid) + + + def remove_completed_pids(self): + for pid in self.pids[:]: + try: + r = os.waitpid(pid, os.WNOHANG) + if r == (pid, 0): self.pids.remove(pid) # process have ended without error + elif r[0] == pid : # process ended but with error, special case we will have to wait for all process to terminate and call system exit. + #self.cancel_job() + #sys.exit(1) + self.pids.remove(pid) + print('ERROR: Some of the HPC jobs terminated abnormally! Please see HPC logs for details.') + + except ChildProcessError: self.pids.remove(pid) + + + def cancel(self): + for pid in self.pids: + try: + os.killpg(os.getpgid(pid), signal.SIGKILL) + except ChildProcessError: pass + + self.pids = [] + + + + def __init__(self, *args, **kwds): + HPC_Driver.__init__(self, *args, **kwds) + #print(f'MultiCore_HPC_Driver: cpu_count: {self.cpu_count}') + + + def remove_completed_jobs(self): + for job in self.jobs[:]: # Need to make a copy so we don't modify a list we're iterating over + job.remove_completed_pids() + if not job: self.jobs.remove(job) + + + @property + def process_count(self): + ''' return number of processes that currently ran by this driver instance + ''' + return sum( map(len, self.jobs) ) + + + def submit_hpc_job(self, name, executable, arguments, working_dir, jobs_to_queue, log_dir, memory=512, time=12, block=True, shell_wrapper=False): + print('submit_hpc_job is DEPRECATED and will be removed in near future, please use submit_serial_hpc_job instead!') + return self.submit_serial_hpc_job(name, executable, arguments, working_dir, jobs_to_queue, log_dir, memory, time, block, shell_wrapper) + + + def submit_serial_hpc_job(self, name, executable, arguments, working_dir, jobs_to_queue, log_dir, memory=512, time=12, block=True, shell_wrapper=False): + cpu_usage = -time_module.time()/60./60. + + if shell_wrapper: + shell_wrapper_sh = os.path.abspath(self.working_dir + f'/hpc.{name}.shell_wrapper.sh') + with open(shell_wrapper_sh, 'w') as f: f.write('#!/bin/bash\n{} {}\n'.format(executable, arguments)); os.fchmod(f.fileno(), stat.S_IEXEC | stat.S_IREAD | stat.S_IWRITE) + executable, arguments = shell_wrapper_sh, '' + + def mfork(): + ''' Check if number of child process is below cpu_count. And if it is - fork the new pocees and return its pid. + ''' + while self.process_count >= self.cpu_count: + self.remove_completed_jobs() + if self.process_count >= self.cpu_count: time_module.sleep(.5) + + sys.stdout.flush() + pid = os.fork() + # appending at caller level insted if pid: self.jobs.append(pid) # We are parent! + return pid + + current_job = self.JobID() + process = 0 + for i in range(jobs_to_queue): + + pid = mfork() + if not pid: # we are child process + command_line = 'cd {} && {} {}'.format(working_dir, executable, arguments.format(process=process) ) + exit_code, log = execute('Running job {}.{}...'.format(name, i), command_line, tracer=self.tracer, return_='tuple') + with codecs.open(log_dir+'/.hpc.{name}.{i:02d}.log'.format(**vars()), 'w', encoding='utf-8', errors='replace') as f: + f.write(command_line+'\n'+log) + if exit_code: + error_report = f'\n\n{command_line}\nERROR: PROCESS {name}.{i:02d} TERMINATED WITH NON-ZERO-EXIT-CODE {exit_code}!\n' + f.write(error_report) + print(log, error_report) + + sys.exit(0) + + else: # we are parent! + current_job.add_pid(pid) + # Need to potentially re-add to list, as remove_completed_jobs() might trim it. + if current_job not in self.jobs: self.jobs.append(current_job) + + process += 1 + + if block: + #for p in all_queued_jobs: os.waitpid(p, 0) # waiting for all child process to termintate... + + self.wait_until_complete(current_job) + self.remove_completed_jobs() + + cpu_usage += time_module.time()/60./60. + self.cpu_usage += cpu_usage * jobs_to_queue # approximation... + + current_job = self.JobID() + + return current_job + + + @property + def number_of_cpu_per_node(self): return self.cpu_count + + + @property + def maximum_number_of_mpi_cpu(self): return self.cpu_count + + + def submit_mpi_hpc_job(self, name, executable, arguments, working_dir, log_dir, memory=512, time=12, block=True, process_coefficient="1", requested_nodes=1, requested_processes_per_node=1): + + if requested_nodes > 1: + print( "WARNING: " + str( requested_nodes ) + " nodes were requested, but we're running locally, so only 1 node will be used." ) + + if requested_processes_per_node > self.cpu_count: + print( "WARNING: " + str(requested_processes_per_node) + " processes were requested, but I only have " + str(self.cpu_count) + " CPUs. Will launch " + str(self.cpu_count) + " processes." ) + actual_processes = min( requested_processes_per_node, self.cpu_count ) + + cpu_usage = -time_module.time()/60./60. + + arguments = arguments.format(process=0) + + command_line = f'cd {working_dir} && mpirun -np {actual_processes} {executable} {arguments}' + log = execute(f'Running job {name}...', command_line, tracer=self.tracer, return_='output') + with codecs.open(log_dir+'/.hpc.{name}.log'.format(**vars()), 'w', encoding='utf-8', errors='replace') as f: f.write(command_line+'\n'+log) + + cpu_usage += time_module.time()/60./60. + self.cpu_usage += cpu_usage * actual_processes # approximation... + + # return None - we do not return anything from this version of submit which imply returning None which in turn will be treated as job-id for already finished job + + + def complete(self, job_id): + ''' Return job completion status. Return True if job completed and False otherwise + ''' + self.remove_completed_jobs() + return job_id not in self.jobs + + + def cancel_job(self, job): + job.cancel(); + if job in self.jobs: + self.jobs.remove(job) + + + def __repr__(self): + return 'MultiCore_HPC_Driver<>' diff --git a/RFdiffusion/.rosetta-ci/hpc_drivers/slurm.py b/RFdiffusion/.rosetta-ci/hpc_drivers/slurm.py new file mode 100644 index 0000000000000000000000000000000000000000..d462e104513489aea53b34748859b82d2ccaee35 --- /dev/null +++ b/RFdiffusion/.rosetta-ci/hpc_drivers/slurm.py @@ -0,0 +1,176 @@ +# -*- coding: utf-8 -*- +# :noTabs=true: + +import os, sys, time, collections, math +import stat as stat_module + + +try: + from .base import * + +except ImportError: # workaround for B2 back-end's + import imp + imp.load_source(__name__, '/'.join(__file__.split('/')[:-1]) + '/base.py') # A bit of Python magic here, what we trying to say is this: from base import *, but path to base is calculated from our source location # from base import HPC_Driver, execute, NT + + +_T_slurm_array_job_template_ = '''\ +#!/bin/bash +# +#SBATCH --job-name={name} +#SBATCH --output={log_dir}/.hpc.%x.%a.output +# +#SBATCH --time={time}:00 +#SBATCH --mem-per-cpu={memory}M +#SBATCH --chdir={working_dir} +# +#SBATCH --array=1-{jobs_to_queue} + +srun {executable} {arguments} +''' + +_T_slurm_mpi_job_template_ = '''\ +#!/bin/bash +# +#SBATCH --job-name={name} +#SBATCH --output={log_dir}/.hpc.%x.output +# +#SBATCH --time={time}:00 +#SBATCH --mem-per-cpu={memory}M +#SBATCH --chdir={working_dir} +# +#SBATCH --ntasks={ntasks} + +mpirun {executable} {arguments} +''' + +class Slurm_HPC_Driver(HPC_Driver): + def head_node_execute(self, message, command_line, *args, **kwargs): + head_node = self.config['slurm'].get('head_node') + + command_line, host = (f"ssh {head_node} cd `pwd` '&& {command_line}'", head_node) if head_node else (command_line, 'localhost') + return execute(f'Executiong on {host}: {message}' if message else '', command_line, *args, **kwargs) + + + # NodeGroup = collections.namedtuple('NodeGroup', 'nodes cores') + + # @property + # def mpi_topology(self): + # ''' return list of NodeGroup's + # ''' + # pass + + + # @property + # def number_of_cpu_per_node(self): return int( self.config['condor']['mpi_cpu_per_node'] ) + + # @property + # def maximum_number_of_mpi_cpu(self): + # return self.number_of_cpu_per_node * int( self.config['condor']['mpi_maximum_number_of_nodes'] ) + + + # def complete(self, condor_job_id): + # ''' Return job completion status. Note that single hpc_job may contatin inner list of individual HPC jobs, True should be return if they all run in to completion. + # ''' + + # execute('Releasing condor jobs...', 'condor_release $USER', return_='tuple') + + # s = execute('', 'condor_q $USER | grep $USER | grep {}'.format(condor_job_id), return_='output', terminate_on_failure=False).replace(' ', '').replace('\n', '') + # if s: return False + + # # #setDaemonStatusAndPing('[Job #%s] Running... %s condor job(s) in queue...' % (self.id, len(s.split('\n') ) ) ) + # # n_jobs = len(s.split('\n')) + # # s, o = execute('', 'condor_userprio -all | grep $USER@', return_='tuple') + # # if s == 0: + # # jobs_running = o.split() + # # jobs_running = 'XX' if len(jobs_running) < 4 else jobs_running[4] + # # self.set_daemon_message("Waiting for condor to finish HPC jobs... [{} jobs in HPC-Queue, {} CPU's used]".format(n_jobs, jobs_running) ) + # # print "{} condor jobs in queue... Sleeping 32s... \r".format(n_jobs), + # # sys.stdout.flush() + # # time.sleep(32) + # else: + + # #self.tracer('Waiting for condor to finish the jobs... DONE') + # self.jobs.remove(condor_job_id) + # self.cpu_usage += self.get_condor_accumulated_usage() + # return True # jobs already finished, we return empty list to prevent double counting of cpu_usage + + + def complete(self, slurm_job_id): + ''' Return True if job with given id is complete + ''' + + s = self.head_node_execute('', f'squeue -j {slurm_job_id} --noheader', return_='output', terminate_on_failure=False, silent=True) + if s: return False + else: + #self.tracer('Waiting for condor to finish the jobs... DONE') + self.jobs.remove(slurm_job_id) + return True # jobs already finished, we return empty list to prevent double counting of cpu_usage + + + def cancel_job(self, slurm_job_id): + self.head_node_execute(f'Slurm_HPC_Driver.canceling job {slurm_job_id}...', f'scancel {slurm_job_id}', terminate_on_failure=False) + + + # def submit_hpc_job(self, name, executable, arguments, working_dir, jobs_to_queue, log_dir, memory=512, time=12, block=True, shell_wrapper=False): + # print('submit_hpc_job is DEPRECATED and will be removed in near future, please use submit_serial_hpc_job instead!') + # return self.submit_serial_hpc_job(name, executable, arguments, working_dir, jobs_to_queue, log_dir, memory, time, block, shell_wrapper) + + + def submit_serial_hpc_job(self, name, executable, arguments, working_dir, jobs_to_queue, log_dir, memory=512, time=12, block=True, shell_wrapper=False): + + arguments = arguments.format(process='%a') # %a is SLURM array index + time = int( math.ceil(time*60) ) + + if shell_wrapper: + shell_wrapper_sh = os.path.abspath(self.working_dir + f'/hpc.{name}.shell_wrapper.sh') + with open(shell_wrapper_sh, 'w') as f: f.write('#!/bin/bash\n{} {}\n'.format(executable, arguments)); os.fchmod(f.fileno(), stat.S_IEXEC | stat.S_IREAD | stat.S_IWRITE) + executable, arguments = shell_wrapper_sh, '' + + slurm_file = working_dir + f'/.hpc.{name}.slurm' + + with open(slurm_file, 'w') as f: f.write( _T_slurm_array_job_template_.format( **vars() ) ) + + + slurm_job_id = self.head_node_execute('Submitting SLURM array job...', f'cd {self.working_dir} && sbatch {slurm_file}', + tracer=self.tracer, return_='output' + ).split()[-1] # expecting something like `Submitted batch job 6122` in output + + + self.jobs.append(slurm_job_id) + + if block: + self.wait_until_complete( [slurm_job_id] ) + return None + + else: return slurm_job_id + + + + + + def submit_mpi_hpc_job(self, name, executable, arguments, working_dir, log_dir, ntasks, memory=512, time=12, block=True, shell_wrapper=False): + ''' submit jobs as MPI job + ''' + arguments = arguments.format(process='0') + time = int( math.ceil(time*60) ) + + if shell_wrapper: + shell_wrapper_sh = os.path.abspath(self.working_dir + f'/hpc.{name}.shell_wrapper.sh') + with open(shell_wrapper_sh, 'w') as f: f.write('#!/bin/bash\n{} {}\n'.format(executable, arguments)); os.fchmod(f.fileno(), stat.S_IEXEC | stat.S_IREAD | stat.S_IWRITE) + executable, arguments = shell_wrapper_sh, '' + + slurm_file = working_dir + f'/.hpc.{name}.slurm' + + with open(slurm_file, 'w') as f: f.write( _T_slurm_mpi_job_template_.format( **vars() ) ) + + slurm_job_id = self.head_node_execute('Submitting SLURM mpi job...', f'cd {self.working_dir} && sbatch {slurm_file}', + tracer=self.tracer, return_='output' + ).split()[-1] # expecting something like `Submitted batch job 6122` in output + + self.jobs.append(slurm_job_id) + + if block: + self.wait_until_complete( [slurm_job_id] ) + return None + + else: return slurm_job_id diff --git a/RFdiffusion/.rosetta-ci/test-sets.yaml b/RFdiffusion/.rosetta-ci/test-sets.yaml new file mode 100644 index 0000000000000000000000000000000000000000..95169fcd737cdb894f5ced3a7426caab99c93d1c --- /dev/null +++ b/RFdiffusion/.rosetta-ci/test-sets.yaml @@ -0,0 +1,65 @@ +# map platform-string → platform definiton +platforms: + ubuntu-20.04.gcc: + os: ubuntu-20.04 + compiler: gcc + python: '3.9' + + ubuntu-20.04.clang: + os: ubuntu-20.04 + compiler: clang + python: '3.9' + + +# map of test-set-name → tests +test-sets: + main: + - ubuntu-20.04.clang.rfd + + python: + - ubuntu-20.04.gcc.self.python + - ubuntu-20.04.clang.self.python + + self: + - ubuntu-20.04.gcc.self.state + - ubuntu-20.04.gcc.self.subtests + - ubuntu-20.04.gcc.self.release + + + +# map of GitHub-label → [test-set] +github-label-test-sets: + 00 main: [main] + 10 self: [self] + 16 python: [python] + + +# map of submit-page-category → tests +# tests that does not get assigned will be automatically displayed in 'other' category +category-tests: + main: + - rfd + + self: + - self.state + - self.subtests + - self.release + - self.python + + +# map branch → test-set to +# specify list of tests that should be applied by-default during testing of each new commits to specific branch +branch-test-sets: + main: [main] + benchmark: [main, python] + + +# map branch → test-sets for pull-request's +# specify which test-sets should be scheduled for PR's by-default (ie in addition to GH labels applied) +# use empty branch name to specify defult value for (ie any branch not explicitly listed) +pull-request-branch-test-sets: + # specific test sets for benchmark branch + benchmark: ['main', 'python'] + + # default, will apply to PR's to any other branch + '': ['main'] diff --git a/RFdiffusion/.rosetta-ci/tests/__init__.py b/RFdiffusion/.rosetta-ci/tests/__init__.py new file mode 100644 index 0000000000000000000000000000000000000000..e7f6bef701e3009c598ec9cb7fe96752b9ab5421 --- /dev/null +++ b/RFdiffusion/.rosetta-ci/tests/__init__.py @@ -0,0 +1,765 @@ +#!/usr/bin/env python +# -*- coding: utf-8 -*- +# :noTabs=true: + +# (c) Copyright Rosetta Commons Member Institutions. +# (c) This file is part of the Rosetta software suite and is made available under license. +# (c) The Rosetta software is developed by the contributing members of the Rosetta Commons. +# (c) For more information, see http://www.rosettacommons.org. Questions about this can be +# (c) addressed to University of Washington CoMotion, email: license@uw.edu. + +## @file tests/__init__.py +## @brief Common constats and types for all test types +## @author Sergey Lyskov + +import os, time, sys, shutil, codecs, urllib.request, imp, subprocess, json, hashlib # urllib.error, urllib.parse, +import platform as platform_module +import types as types_module + +# ⚔ do not change wording below, it have to stay in sync with upstream (up to benchmark-model). +# Copied from benchmark-model, standard state code's for tests results. + +__all__ = ['execute', + '_S_Values_', '_S_draft_', '_S_queued_', '_S_running_', '_S_passed_', '_S_failed_', '_S_build_failed_', '_S_script_failed_', + '_StateKey_', '_ResultsKey_', '_LogKey_', '_DescriptionKey_', '_TestsKey_', + '_multi_step_config_', '_multi_step_error_', '_multi_step_result_', + 'to_bytes', +] + +_S_draft_ = 'draft' +_S_queued_ = 'queued' +_S_running_ = 'running' +_S_passed_ = 'passed' +_S_failed_ = 'failed' +_S_build_failed_ = 'build failed' +_S_script_failed_ = 'script failed' +_S_queued_for_comparison_ = 'queued for comparison' + +_S_Values_ = [_S_draft_, _S_queued_, _S_running_, _S_passed_, _S_failed_, _S_build_failed_, _S_script_failed_, _S_queued_for_comparison_] + +_IgnoreKey_ = 'ignore' +_StateKey_ = 'state' +_ResultsKey_ = 'results' +_LogKey_ = 'log' +_DescriptionKey_ = 'description' +_TestsKey_ = 'tests' +_SummaryKey_ = 'summary' +_FailedKey_ = 'failed' +_TotalKey_ = 'total' +_PlotsKey_ = 'plots' +_FailedTestsKey_ = 'failed_tests' +_HtmlKey_ = 'html' + +# file names for multi-step test files +_multi_step_config_ = 'config.json' +_multi_step_error_ = 'error.json' +_multi_step_result_ = 'result.json' + +PyRosetta_unix_memory_requirement_per_cpu = 6 # Memory per sub-process in Gb's +PyRosetta_unix_unit_test_memory_requirement_per_cpu = 3.0 # Memory per sub-process in Gb's for running PyRosetta unit tests + +# Commands to run all the scripts needed for setting up Rosetta compiles. (Run from main/source directory) +PRE_COMPILE_SETUP_SCRIPTS = [ "./update_options.sh", "./update_submodules.sh", "./update_ResidueType_enum_files.sh", "python version.py" ] + +DEFAULT_PYTHON_VERSION='3.9' + +# Standard funtions and classes below --------------------------------------------------------------------------------- + +class BenchmarkError(Exception): + def __init__(self, value): self.value = value + def __repr__(self): return self.value + def __str__(self): return self.value + + +class NT: # named tuple + def __init__(self, **entries): self.__dict__.update(entries) + def __repr__(self): + r = 'NT: |' + for i in dir(self): + print(i) + if not i.startswith('__') and i != '_as_dict' and not isinstance(getattr(self, i), types_module.MethodType): r += '%s --> %s, ' % (i, getattr(self, i)) + return r[:-2]+'|' + + @property + def _as_dict(self): + return { a: getattr(self, a) for a in dir(self) if not a.startswith('__') and a != '_as_dict' and not isinstance(getattr(self, a), types_module.MethodType)} + + +def Tracer(verbose=False): + return print if verbose else lambda x: None + + +def to_unicode(b): + ''' Conver bytes to string and handle the errors. If argument is already in string - do nothing + ''' + #return b if type(b) == unicode else unicode(b, 'utf-8', errors='replace') + return b if type(b) == str else str(b, 'utf-8', errors='backslashreplace') + + +def to_bytes(u): + ''' Conver string to bytes and handle the errors. If argument is already of type bytes - do nothing + ''' + return u if type(u) == bytes else u.encode('utf-8', errors='backslashreplace') + + +''' Python-2 version +def execute(message, commandline, return_=False, until_successes=False, terminate_on_failure=True, add_message_and_command_line_to_output=False): + message, commandline = to_unicode(message), to_unicode(commandline) + + TR = Tracer() + TR(message); TR(commandline) + while True: + (res, output) = commands.getstatusoutput(commandline) + # Subprocess results will always be a bytes-string. + # Probably ASCII, but may have some Unicode characters. + # A UTF-8 decode will probably get decent results 99% of the time + # and the replace option will gracefully handle the rest. + output = to_unicode(output) + + TR(output) + + if res and until_successes: pass # Thats right - redability COUNT! + else: break + + print( "Error while executing %s: %s\n" % (message, output) ) + print( "Sleeping 60s... then I will retry..." ) + time.sleep(60) + + if add_message_and_command_line_to_output: output = message + '\nCommand line: ' + commandline + '\n' + output + + if return_ == 'tuple': return(res, output) + + if res and terminate_on_failure: + TR("\nEncounter error while executing: " + commandline) + if return_==True: return res + else: + print("\nEncounter error while executing: " + commandline + '\n' + output) + raise BenchmarkError("\nEncounter error while executing: " + commandline + '\n' + output) + + if return_ == 'output': return output + else: return res +''' + +def execute_through_subprocess(command_line): + # exit_code, output = subprocess.getstatusoutput(command_line) + + # p = subprocess.Popen(command_line, bufsize=0, shell=True, stdout=subprocess.PIPE, stderr=subprocess.PIPE) + # output, errors = p.communicate() + # output = (output + errors).decode(encoding='utf-8', errors='backslashreplace') + # exit_code = p.returncode + + # previous 'main' version based on subprocess module. Main issue that output of segfaults will not be captured since they generated by shell + p = subprocess.Popen(command_line, bufsize=0, shell=True, stdout=subprocess.PIPE, stderr=subprocess.STDOUT) + output, errors = p.communicate() + # output = output + errors # ← we redirected stderr into same pipe as stdcout so errors is None, - no need to concatenate + output = output.decode(encoding='utf-8', errors='backslashreplace') + exit_code = p.returncode + + return exit_code, output + + +def execute_through_pexpect(command_line): + import pexpect + + child = pexpect.spawn('/bin/bash', ['-c', command_line]) + child.expect(pexpect.EOF) + output = child.before.decode(encoding='utf-8', errors='backslashreplace') + child.close() + exit_code = child.signalstatus or child.exitstatus + + return exit_code, output + + +def execute_through_pty(command_line): + import pty, select + + if sys.platform == "darwin": + + master, slave = pty.openpty() + p = subprocess.Popen(command_line, shell=True, stdout=slave, stdin=slave, + stderr=subprocess.STDOUT, close_fds=True) + + buffer = [] + while True: + try: + if select.select([master], [], [], 0.2)[0]: # has something to read + data = os.read(master, 1 << 22) + if data: buffer.append(data) + + elif (p.poll() is not None) and (not select.select([master], [], [], 0.2)[0] ): break # process is finished and output buffer if fully read + + except OSError: break # OSError will be raised when child process close PTY descriptior + + output = b''.join(buffer).decode(encoding='utf-8', errors='backslashreplace') + + os.close(master) + os.close(slave) + + p.wait() + exit_code = p.returncode + + ''' + buffer = [] + while True: + if select.select([master], [], [], 0.2)[0]: # has something to read + data = os.read(master, 1 << 22) + if data: buffer.append(data) + # else: break # # EOF - well, technically process _should_ be finished here... + + # elif time.sleep(1) or (p.poll() is not None): # process is finished (sleep here is intentional to trigger race condition, see solution for this on the next few lines) + # assert not select.select([master], [], [], 0.2)[0] # should be nothing left to read... + # break + + elif (p.poll() is not None) and (not select.select([master], [], [], 0.2)[0] ): break # process is finished and output buffer if fully read + + assert not select.select([master], [], [], 0.2)[0] # should be nothing left to read... + + os.close(slave) + os.close(master) + + output = b''.join(buffer).decode(encoding='utf-8', errors='backslashreplace') + exit_code = p.returncode + ''' + + else: + + master, slave = pty.openpty() + p = subprocess.Popen(command_line, shell=True, stdout=slave, stdin=slave, + stderr=subprocess.STDOUT, close_fds=True) + + os.close(slave) + + buffer = [] + while True: + try: + data = os.read(master, 1 << 22) + if data: buffer.append(data) + except OSError: break # OSError will be raised when child process close PTY descriptior + + output = b''.join(buffer).decode(encoding='utf-8', errors='backslashreplace') + + os.close(master) + + p.wait() + exit_code = p.returncode + + return exit_code, output + + + +def execute(message, command_line, return_='status', until_successes=False, terminate_on_failure=True, silent=False, silence_output=False, silence_output_on_errors=False, add_message_and_command_line_to_output=False): + if not silent: print(message); print(command_line); sys.stdout.flush(); + while True: + + #exit_code, output = execute_through_subprocess(command_line) + #exit_code, output = execute_through_pexpect(command_line) + exit_code, output = execute_through_pty(command_line) + + if (exit_code and not silence_output_on_errors) or not (silent or silence_output): print(output); sys.stdout.flush(); + + if exit_code and until_successes: pass # Thats right - redability COUNT! + else: break + + print( "Error while executing {}: {}\n".format(message, output) ) + print("Sleeping 60s... then I will retry...") + sys.stdout.flush(); + time.sleep(60) + + if add_message_and_command_line_to_output: output = message + '\nCommand line: ' + command_line + '\n' + output + + if return_ == 'tuple' or return_ == tuple: return(exit_code, output) + + if exit_code and terminate_on_failure: + print("\nEncounter error while executing: " + command_line) + if return_==True: return True + else: + print('\nEncounter error while executing: ' + command_line + '\n' + output); + raise BenchmarkError('\nEncounter error while executing: ' + command_line + '\n' + output) + + if return_ == 'output': return output + else: return exit_code + + +def parallel_execute(name, jobs, rosetta_dir, working_dir, cpu_count, time=16): + ''' Execute command line in parallel on local host + time specifies the upper limit for cpu-usage runtime (in minutes) for any one process in the parallel execution. + + jobs should be dict with following structure: + { + 'job-string-id-1’: command_line-1, + 'job-string-id-2’: command_line-2, + ... + } + + return: dict with jobs-id's as keys and value as dict with 'output' and 'result' keys: + { + "job-string-id-1": { + "output": "stdout + stdderr output of command_line-1", + "result": + }, + "c2": { + "output": "stdout + stdderr output of command_line-2", + "result": + }, + ... + } + ''' + job_file_name = working_dir + '/' + name + with open(job_file_name + '.json', 'w') as f: json.dump(jobs, f, sort_keys=True, indent=2) # JSON handles unicode internally + if time is not None: + allowed_time = int(time*60) + ulimit_command = f'ulimit -t {allowed_time} && ' + else: + ulimit_command = '' + command = f'cd {working_dir} && ' + ulimit_command + f'{rosetta_dir}/tests/benchmark/util/parallel.py -j{cpu_count} {job_file_name}.json' + execute("Running {} in parallel with {} CPU's...".format(name, cpu_count), command ) + + with open(job_file_name+'.results.json') as f: return json.load(f) + + +def calculate_unique_prefix_path(platform, config): + ''' calculate path for prefix location that is unique for this machine and OS + ''' + hostname = os.uname()[1] + return config['prefix'] + '/' + hostname + '/' + platform['os'] + + +def get_python_include_and_lib(python): + ''' calculate python include dir and lib dir from given python executable path + ''' + #python = os.path.realpath(python) + python_bin_dir = python.rpartition('/')[0] + python_config = f'{python} {python}-config' if python.endswith('2.7') else f'{python}-config' + + #if not os.path.isfile(python_config): python_config = python_bin_dir + '/python-config' + + info = execute('Getting python configuration info...', f'unset __PYVENV_LAUNCHER__ && cd {python_bin_dir} && PATH=.:$PATH && {python_config} --prefix --includes', return_='output').replace('\r', '').split('\n') # Python-3 only: --abiflags + python_prefix = info[0] + python_include_dir = info[1].split()[0][len('-I'):] + python_lib_dir = python_prefix + '/lib' + #python_abi_suffix = info[2] + #print(python_include_dir, python_lib_dir) + + return NT(python_include_dir=python_include_dir, python_lib_dir=python_lib_dir) + + +def local_open_ssl_install(prefix, build_prefix, jobs): + ''' install OpenSSL at given prefix, return url of source archive + ''' + #with tempfile.TemporaryDirectory('open_ssl_build', dir=prefix) as build_prefix: + + url = 'https://www.openssl.org/source/openssl-1.1.1b.tar.gz' + #url = 'https://www.openssl.org/source/openssl-3.0.0.tar.gz' + + + archive = build_prefix + '/' + url.split('/')[-1] + build_dir = archive.rpartition('.tar.gz')[0] + if os.path.isdir(build_dir): shutil.rmtree(build_dir) + + with open(archive, 'wb') as f: + response = urllib.request.urlopen(url) + f.write( response.read() ) + + execute('Unpacking {}'.format(archive), 'cd {build_prefix} && tar -xvzf {archive}'.format(**vars()) ) + + execute('Configuring...', f'cd {build_dir} && ./config --prefix={prefix}') + execute('Building...', f'cd {build_dir} && make -j{jobs}') + execute('Installing...', f'cd {build_dir} && make -j{jobs} install') + + return url + + +def remove_pip_and_easy_install(prefix_root_path): + ''' remove `pip` and `easy_install` executable from given Python / virtual-environments install + ''' + for f in os.listdir(prefix_root_path + '/bin'): # removing all pip's and easy_install's to make sure that environment is immutable + for p in ['pip', 'easy_install']: + if f.startswith(p): os.remove(prefix_root_path + '/bin/' + f) + + + +def local_python_install(platform, config): + ''' Perform local install of given Python version and return path-to-python-interpreter, python_include_dir, python_lib_dir + If previous install is detected skip installiation. + Provided Python install will _persistent_ and _immutable_ + ''' + jobs = config['cpu_count'] + compiler, cpp_compiler = ('clang', 'clang++') if platform['os'] == 'mac' else ('gcc', 'g++') # disregarding platform compiler setting and instead use default compiler for platform + + python_version = platform.get('python', DEFAULT_PYTHON_VERSION) + + if python_version.endswith('.s'): + assert python_version == f'{sys.version_info.major}.{sys.version_info.minor}.s' + #root = executable.rpartition('/bin/python')[0] + h = hashlib.md5(); h.update( (sys.executable + sys.version).encode('utf-8', errors='backslashreplace') ); hash = h.hexdigest() + return NT( + python = sys.executable, + root = None, + python_include_dir = None, + python_lib_dir = None, + version = python_version, + url = None, + platform = platform, + config = config, + hash = hash, + ) + + # deprecated, no longer needed + # python_version = {'python2' : '2.7', + # 'python2.7' : '2.7', + # 'python3' : '3.5', + # }.get(python_version, python_version) + + # for security reasons we only allow installs for version listed here with hand-coded URL's + python_sources = { + '2.7' : 'https://www.python.org/ftp/python/2.7.18/Python-2.7.18.tgz', + + '3.5' : 'https://www.python.org/ftp/python/3.5.9/Python-3.5.9.tgz', + '3.6' : 'https://www.python.org/ftp/python/3.6.15/Python-3.6.15.tgz', + '3.7' : 'https://www.python.org/ftp/python/3.7.14/Python-3.7.14.tgz', + '3.8' : 'https://www.python.org/ftp/python/3.8.14/Python-3.8.14.tgz', + '3.9' : 'https://www.python.org/ftp/python/3.9.14/Python-3.9.14.tgz', + '3.10' : 'https://www.python.org/ftp/python/3.10.10/Python-3.10.10.tgz', + '3.11' : 'https://www.python.org/ftp/python/3.11.2/Python-3.11.2.tgz', + } + + # map of env -> ('shell-code-before ./configure', 'extra-arguments-for-configure') + extras = { + #('mac',) : ('__PYVENV_LAUNCHER__="" MACOSX_DEPLOYMENT_TARGET={}'.format(platform_module.mac_ver()[0]), ''), # __PYVENV_LAUNCHER__ now used by-default for all platform installs + ('mac',) : ('MACOSX_DEPLOYMENT_TARGET={}'.format(platform_module.mac_ver()[0]), ''), + ('linux', '2.7') : ('', '--enable-unicode=ucs4'), + ('ubuntu', '2.7') : ('', '--enable-unicode=ucs4'), + } + + #packages = '' if (python_version[0] == '2' or python_version == '3.5' ) and platform['os'] == 'mac' else 'pip setuptools wheel' # 2.7 is now deprecated on Mac so some packages could not be installed + packages = 'setuptools' + + url = python_sources[python_version] + + extra = extras.get( (platform['os'],) , ('', '') ) + extra = extras.get( (platform['os'], python_version) , extra) + + extra = ('unset __PYVENV_LAUNCHER__ && ' + extra[0], extra[1]) + + options = '--with-ensurepip' #'--without-ensurepip' + signature = f'v1.5.1 url: {url}\noptions: {options}\ncompiler: {compiler}\nextra: {extra}\npackages: {packages}\n' + + h = hashlib.md5(); h.update( signature.encode('utf-8', errors='backslashreplace') ); hash = h.hexdigest() + + root = calculate_unique_prefix_path(platform, config) + '/python-' + python_version + '.' + compiler + '/' + hash + + signature_file_name = root + '/.signature' + + #activate = root + '/bin/activate' + executable = root + '/bin/python' + python_version + + # if os.path.isfile(executable) and (not execute('Getting python configuration info...', '{executable}-config --prefix --includes'.format(**vars()), terminate_on_failure=False) ): + # print('found executable!') + # _, executable_version = execute('Checking Python interpreter version...', '{executable} --version'.format(**vars()), return_='tuple') + # executable_version = executable_version.split()[-1] + # else: executable_version = '' + # print('executable_version: {}'.format(executable_version)) + #if executable_version != url.rpartition('Python-')[2][:-len('.tgz')]: + + if os.path.isfile(signature_file_name) and open(signature_file_name).read() == signature: + #print('Install for Python-{} is detected, skipping installation procedure...'.format(python_version)) + pass + + else: + print( 'Installing Python-{python_version}, using {url} with extra:{extra}...'.format( **vars() ) ) + + if os.path.isdir(root): shutil.rmtree(root) + + build_prefix = os.path.abspath(root + '/../build-python-{}'.format(python_version) ) + + if not os.path.isdir(root): os.makedirs(root) + if not os.path.isdir(build_prefix): os.makedirs(build_prefix) + + platform_is_mac = True if platform['os'] in ['mac', 'm1'] else False + platform_is_linux = not platform_is_mac + + #if False and platform['os'] == 'mac' and platform_module.machine() == 'arm64' and tuple( map(int, python_version.split('.') ) ) >= (3, 9): + if ( platform['os'] == 'mac' and python_version == '3.6' ) \ + or ( platform_is_linux and python_version in ['3.10', '3.11'] ): + open_ssl_url = local_open_ssl_install(root, build_prefix, jobs) + options += f' --with-openssl={root} --with-openssl-rpath=auto' + #signature += 'OpenSSL install: ' + open_ssl_url + '\n' + + archive = build_prefix + '/' + url.split('/')[-1] + build_dir = archive.rpartition('.tgz')[0] + if os.path.isdir(build_dir): shutil.rmtree(build_dir) + + with open(archive, 'wb') as f: + #response = urllib2.urlopen(url) + response = urllib.request.urlopen(url) + f.write( response.read() ) + + #execute('Execution environment:', 'env'.format(**vars()) ) + + execute('Unpacking {}'.format(archive), 'cd {build_prefix} && tar -xvzf {archive}'.format(**vars()) ) + + #execute('Building and installing...', 'cd {} && CC={compiler} CXX={cpp_compiler} {extra[0]} ./configure {extra[1]} --prefix={root} && {extra[0]} make -j{jobs} && {extra[0]} make install'.format(build_dir, **locals()) ) + execute('Configuring...', 'cd {} && CC={compiler} CXX={cpp_compiler} {extra[0]} ./configure {options} {extra[1]} --prefix={root}'.format(build_dir, **locals()) ) + execute('Building...', 'cd {} && {extra[0]} make -j{jobs}'.format(build_dir, **locals()) ) + execute('Installing...', 'cd {} && {extra[0]} make -j{jobs} install'.format(build_dir, **locals()) ) + + shutil.rmtree(build_prefix) + + #execute('Updating setuptools...', f'cd {root} && {root}/bin/pip{python_version} install --upgrade setuptools wheel' ) + + # if 'certifi' not in packages: + # packages += ' certifi' + + if packages: execute( f'Installing packages {packages}...', f'cd {root} && unset __PYVENV_LAUNCHER__ && {root}/bin/pip{python_version} install --upgrade {packages}' ) + #if packages: execute( f'Installing packages {packages}...', f'cd {root} && unset __PYVENV_LAUNCHER__ && {executable} -m pip install --upgrade {packages}' ) + + remove_pip_and_easy_install(root) # removing all pip's and easy_install's to make sure that environment is immutable + + with open(signature_file_name, 'w') as f: f.write(signature) + + print( 'Installing Python-{python_version}, using {url} with extra:{extra}... Done.'.format( **vars() ) ) + + il = get_python_include_and_lib(executable) + + return NT( + python = executable, + root = root, + python_include_dir = il.python_include_dir, + python_lib_dir = il.python_lib_dir, + version = python_version, + url = url, + platform = platform, + config = config, + hash = hash, + ) + + + +def setup_python_virtual_environment(working_dir, python_environment, packages=''): + ''' Deploy Python virtual environment at working_dir + ''' + + python = python_environment.python + + execute('Setting up Python virtual environment...', 'unset __PYVENV_LAUNCHER__ && {python} -m venv --clear {working_dir}'.format(**vars()) ) + + activate = f'unset __PYVENV_LAUNCHER__ && . {working_dir}/bin/activate' + + bin=working_dir+'/bin' + + if packages: execute('Installing packages: {}...'.format(packages), 'unset __PYVENV_LAUNCHER__ && {bin}/python {bin}/pip install --upgrade pip setuptools && {bin}/python {bin}/pip install --progress-bar off {packages}'.format(**vars()) ) + #if packages: execute('Installing packages: {}...'.format(packages), '{bin}/pip{python_environment.version} install {packages}'.format(**vars()) ) + + return NT(activate = activate, python = bin + '/python', root = working_dir, bin = bin) + + + +def setup_persistent_python_virtual_environment(python_environment, packages): + ''' Setup _persistent_ and _immutable_ Python virtual environment which will be saved between test runs + ''' + + if python_environment.version.startswith('2.'): + assert not packages, f'ERROR: setup_persistent_python_virtual_environment does not support Python-2.* with non-empty package list!' + return NT(activate = ':', python = python_environment.python, root = python_environment.root, bin = python_environment.root + '/bin') + + else: + #if 'certifi' not in packages: packages += ' certifi' + + h = hashlib.md5() + h.update(f'v1.0.0 platform: {python_environment.platform} python_source_url: {python_environment.url} python-hash: {python_environment.hash} packages: {packages}'.encode('utf-8', errors='backslashreplace') ) + hash = h.hexdigest() + + prefix = calculate_unique_prefix_path(python_environment.platform, python_environment.config) + + root = os.path.abspath( prefix + '/python_virtual_environments/' + '/python-' + python_environment.version + '/' + hash ) + signature_file_name = root + '/.signature' + signature = f'setup_persistent_python_virtual_environment v1.0.0\npython: {python_environment.hash}\npackages: {packages}\n' + + activate = f'unset __PYVENV_LAUNCHER__ && . {root}/bin/activate' + bin = f'{root}/bin' + + if os.path.isfile(signature_file_name) and open(signature_file_name).read() == signature: pass + else: + if os.path.isdir(root): shutil.rmtree(root) + setup_python_virtual_environment(root, python_environment, packages=packages) + remove_pip_and_easy_install(root) # removing all pip's and easy_install's to make sure that environment is immutable + with open(signature_file_name, 'w') as f: f.write(signature) + + return NT(activate = activate, python = bin + '/python', root = root, bin = bin, hash = hash) + + + +def _get_path_to_conda_root(platform, config): + ''' Perform local (prefix) install of miniconda and return NT(activate, conda_root_dir, conda) + this function is for inner use only, - to setup custom conda environment inside your test use `setup_conda_virtual_environment` defined below + ''' + miniconda_sources = { + 'mac' : 'https://repo.anaconda.com/miniconda/Miniconda3-latest-MacOSX-x86_64.sh', + 'linux' : 'https://repo.anaconda.com/miniconda/Miniconda3-latest-Linux-x86_64.sh', + 'aarch64': 'https://repo.anaconda.com/miniconda/Miniconda3-latest-Linux-aarch64.sh', + 'ubuntu' : 'https://repo.anaconda.com/miniconda/Miniconda3-latest-Linux-x86_64.sh', + 'm1' : 'https://repo.anaconda.com/miniconda/Miniconda3-py38_4.10.1-MacOSX-arm64.sh', + } + + conda_sources = { + 'mac' : 'https://repo.continuum.io/archive/Anaconda3-2018.12-MacOSX-x86_64.sh', + 'linux' : 'https://repo.continuum.io/archive/Anaconda3-2018.12-Linux-x86_64.sh', + 'ubuntu' : 'https://repo.continuum.io/archive/Anaconda3-2018.12-Linux-x86_64.sh', + } + + #platform_os = 'm1' if platform_module.machine() == 'arm64' else platform['os'] + #url = miniconda_sources[ platform_os ] + + platform_os = platform['os'] + for o in 'alpine centos ubuntu'.split(): + if platform_os.startswith(o): platform_os = 'linux' + + url = miniconda_sources[platform_os] + + version = '1' + channels = '' # conda-forge + + #packages = ['conda-build gcc libgcc', 'libgcc=5.2.0'] # libgcc installs is workaround for "Anaconda libstdc++.so.6: version `GLIBCXX_3.4.20' not found", see: https://stackoverflow.com/questions/48453497/anaconda-libstdc-so-6-version-glibcxx-3-4-20-not-found + #packages = ['conda-build gcc'] # libgcc installs is workaround for "Anaconda libstdc++.so.6: version `GLIBCXX_3.4.20' not found", see: https://stackoverflow.com/questions/48453497/anaconda-libstdc-so-6-version-glibcxx-3-4-20-not-found + packages = ['conda-build anaconda-client conda-verify',] + + signature = f'url: {url}\nversion: {version}\channels: {channels}\npackages: {packages}\n' + + root = calculate_unique_prefix_path(platform, config) + '/conda' + + signature_file_name = root + '/.signature' + + # presense of __PYVENV_LAUNCHER__,PYTHONHOME, PYTHONPATH sometimes confuse Python so we have to unset them + unset = 'unset __PYVENV_LAUNCHER__ && unset PYTHONHOME && unset PYTHONPATH' + activate = unset + ' && . ' + root + '/bin/activate' + + executable = root + '/bin/conda' + + + if os.path.isfile(signature_file_name) and open(signature_file_name).read() == signature: + print( f'Install for MiniConda is detected, skipping installation procedure...' ) + + else: + print( f'Installing MiniConda, using {url}...' ) + + if os.path.isdir(root): shutil.rmtree(root) + + build_prefix = os.path.abspath(root + f'/../build-conda' ) + + #if not os.path.isdir(root): os.makedirs(root) + if not os.path.isdir(build_prefix): os.makedirs(build_prefix) + + archive = build_prefix + '/' + url.split('/')[-1] + + with open(archive, 'wb') as f: + response = urllib.request.urlopen(url) + f.write( response.read() ) + + execute('Installing conda...', f'cd {build_prefix} && {unset} && bash {archive} -b -p {root}' ) + + # conda update --yes --quiet -n base -c defaults conda + + if channels: execute(f'Adding extra channles {channels}...', f'cd {build_prefix} && {activate} && conda config --add channels {channels}' ) + + for p in packages: execute(f'Installing conda packages: {p}...', f'cd {build_prefix} && {activate} && conda install --quiet --yes {p}' ) + + shutil.rmtree(build_prefix) + + with open(signature_file_name, 'w') as f: f.write(signature) + + print( f'Installing MiniConda, using {url}... Done.' ) + + execute(f'Updating conda base...', f'{activate} && conda update --all --yes' ) + return NT(conda=executable, root=root, activate=activate, url=url) + + + +def setup_conda_virtual_environment(working_dir, platform, config, packages=''): + ''' Deploy Conda virtual environment at working_dir + ''' + conda_root_env = _get_path_to_conda_root(platform, config) + activate = conda_root_env.activate + + python_version = platform.get('python', DEFAULT_PYTHON_VERSION) + + prefix = os.path.abspath( working_dir + '/.conda-python-' + python_version ) + + command_line = f'conda create --quiet --yes --prefix {prefix} python={python_version}' + + execute( f'Setting up Conda for Python-{python_version} virtual environment...', f'cd {working_dir} && {activate} && ( {command_line} || ( conda clean --yes && {command_line} ) )' ) + + activate = f'{activate} && conda activate {prefix}' + + if packages: execute( f'Setting up extra packages {packages}...', f'cd {working_dir} && {activate} && conda install --quiet --yes {packages}' ) + + python = prefix + '/bin/python' + python_version + + il = get_python_include_and_lib(python) + + return NT( + activate = activate, + root = prefix, + python = python, + python_include_dir = il.python_include_dir, + python_lib_dir = il.python_lib_dir, + version = python_version, + activate_base = conda_root_env.activate, + url = prefix, # conda_root_env.url, + platform=platform, + config=config, + ) + + + +class FileLock(): + ''' Implementation of file-lock object that could be use with Python `with` statement + ''' + + def __init__(self, file_name): + self.locked = False + self.file_name = file_name + + + def __enter__(self): + if not self.locked: self.acquire() + return self + + + def __exit__(self, exc_type, exc_value, traceback): + if self.locked: self.release() + + + def __del__(self): + self.release() + + + def acquire(self): + while True: + try: + os.close( os.open(self.file_name, os.O_CREAT | os.O_EXCL, mode=0o600) ) + self.locked = True + break + + except FileExistsError as e: + time.sleep(60) + + + def release(self): + if self.locked: + os.remove(self.file_name) + self.locked = False + + + +def convert_submodule_urls_from_ssh_to_https(repository_root): + ''' switching submodules URL to HTTPS so we can clone without SSH key + ''' + with open(f'{repository_root}/.gitmodules') as f: m = f.read() + with open(f'{repository_root}/.gitmodules', 'w') as f: + f.write( + m + .replace('url = git@github.com:', 'url = https://github.com/') + .replace('url = ../../../', 'url = https://github.com/RosettaCommons/') + .replace('url = ../../', 'url = https://github.com/RosettaCommons/') + .replace('url = ../', 'url = https://github.com/RosettaCommons/') + ) diff --git a/RFdiffusion/.rosetta-ci/tests/rfd.py b/RFdiffusion/.rosetta-ci/tests/rfd.py new file mode 100644 index 0000000000000000000000000000000000000000..40d3804f071a52c161cf7975094696778ada495b --- /dev/null +++ b/RFdiffusion/.rosetta-ci/tests/rfd.py @@ -0,0 +1,111 @@ +#!/usr/bin/env python +# -*- coding: utf-8 -*- +# :noTabs=true: + +# (c) Copyright Rosetta Commons Member Institutions. +# (c) This file is part of the Rosetta software suite and is made available under license. +# (c) The Rosetta software is developed by the contributing members of the Rosetta Commons. +# (c) For more information, see http://www.rosettacommons.org. Questions about this can be +# (c) addressed to University of Washington CoMotion, email: license@uw.edu. + +## @file rfd.py +## @brief main test files for RFdiffusion +## @author Sergey Lyskov + + +import imp +imp.load_source(__name__, '/'.join(__file__.split('/')[:-1]) + '/__init__.py') # A bit of Python magic here, what we trying to say is this: from __init__ import *, but init is calculated from file location + +_api_version_ = '1.0' + +import os, tempfile, shutil +import urllib.request + + +_models_urls_ = ''' +http://files.ipd.uw.edu/pub/RFdiffusion/6f5902ac237024bdd0c176cb93063dc4/Base_ckpt.pt +http://files.ipd.uw.edu/pub/RFdiffusion/e29311f6f1bf1af907f9ef9f44b8328b/Complex_base_ckpt.pt +http://files.ipd.uw.edu/pub/RFdiffusion/60f09a193fb5e5ccdc4980417708dbab/Complex_Fold_base_ckpt.pt +http://files.ipd.uw.edu/pub/RFdiffusion/74f51cfb8b440f50d70878e05361d8f0/InpaintSeq_ckpt.pt +http://files.ipd.uw.edu/pub/RFdiffusion/76d00716416567174cdb7ca96e208296/InpaintSeq_Fold_ckpt.pt +http://files.ipd.uw.edu/pub/RFdiffusion/5532d2e1f3a4738decd58b19d633b3c3/ActiveSite_ckpt.pt +http://files.ipd.uw.edu/pub/RFdiffusion/12fc204edeae5b57713c5ad7dcb97d39/Base_epoch8_ckpt.pt +http://files.ipd.uw.edu/pub/RFdiffusion/f572d396fae9206628714fb2ce00f72e/Complex_beta_ckpt.pt +http://files.ipd.uw.edu/pub/RFdiffusion/1befcb9b28e2f778f53d47f18b7597fa/RF_structure_prediction_weights.pt +'''.split() + + +def run_main_test_suite(repository_root, working_dir, platform, config, debug): + full_log = '' + + python_environment = local_python_install(platform, config) + + models_dir = repository_root + '/models' + if not os.path.isdir(models_dir): os.makedirs(models_dir) + + for url in _models_urls_: + file_name = models_dir + '/' + url.split('/')[-1] + tmp_file_name = file_name + '.tmp' + if not os.path.isfile(file_name): + print(f'downloading {url}...') + full_log += f'downloading {url}...\n' + urllib.request.urlretrieve(url, tmp_file_name) + os.rename(tmp_file_name, file_name) + + execute('unpacking ppi scaffolds...', f'cd {repository_root} && tar -xvf examples/ppi_scaffolds_subset.tar.gz -C examples') + + with tempfile.TemporaryDirectory(dir=working_dir) as tmpdirname: + # tmpdirname = working_dir+'/.ve' + # if True: + + #ve = setup_persistent_python_virtual_environment(python_environment, packages='numpy torch omegaconf scipy opt_einsum dgl') + #ve = setup_python_virtual_environment(working_dir+'/.ve', python_environment, packages='numpy torch omegaconf scipy opt_einsum dgl e3nn icecream pyrsistent wandb pynvml decorator jedi hydra-core') + ve = setup_python_virtual_environment(tmpdirname, python_environment, packages='numpy torch omegaconf scipy opt_einsum dgl e3nn icecream pyrsistent wandb pynvml decorator jedi hydra-core') + + execute('Installing local se3-transformer package...', f'cd {repository_root}/env/SE3Transformer && {ve.bin}/pip3 install --editable .') + execute('Installing RFdiffusion package...', f'cd {repository_root} && {ve.bin}/pip3 install --editable .') + + #res, output = execute('running unit tests...', f'{ve.activate} && cd {repository_root} && python -m unittest', return_='tuple', add_message_and_command_line_to_output=True) + #res, output = execute('running unit tests...', f'cd {repository_root} && {ve.bin}/pytest', return_='tuple') + + + results_file = f'{repository_root}/tests/.results.json' + if os.path.isfile(results_file): os.remove(results_file) + + res, output = execute('running RFdiffusion tests...', f'{ve.activate} && cd {repository_root}/tests && python test_diffusion.py', return_='tuple', add_message_and_command_line_to_output=True) + + if os.path.isfile(results_file): + with open(results_file) as f: sub_tests_reults = json.load(f) + + state = _S_passed_ + for r in sub_tests_reults.values(): + if r[_StateKey_] == _S_failed_: + state = _S_failed_ + break + + else: + sub_tests_reults = {} + output += '\n\nEmpty sub-test results, marking test as `failed`...' + state = _S_failed_ + + shutil.move(f'{repository_root}/tests/outputs', f'{working_dir}/outputs') + + for d in os.listdir(f'{repository_root}/tests'): + p = f'{repository_root}/tests/{d}' + if d.startswith('tests_') and os.path.isdir(p): shutil.rmtree(p) + + results = { + _StateKey_ : state, + _LogKey_ : full_log + '\n' + output, + _ResultsKey_ : { + _TestsKey_ : sub_tests_reults, + }, + } + + return results + + + +def run(test, repository_root, working_dir, platform, config, hpc_driver=None, verbose=False, debug=False): + if test == '': return run_main_test_suite(repository_root=repository_root, working_dir=working_dir, platform=platform, config=config, debug=debug) + else: raise BenchmarkError('Unknow scripts test: {}!'.format(test)) diff --git a/RFdiffusion/.rosetta-ci/tests/self.md b/RFdiffusion/.rosetta-ci/tests/self.md new file mode 100644 index 0000000000000000000000000000000000000000..55d71cf0ecdc147abd27ae1efc3659eb6e901ecd --- /dev/null +++ b/RFdiffusion/.rosetta-ci/tests/self.md @@ -0,0 +1,6 @@ +# self test suite +These tests are design to help debug interface between testing server and Rosetta testing scripts + +----- +### python +Test Python platform support and functionality of local and persistent Python virtual environments diff --git a/RFdiffusion/.rosetta-ci/tests/self.py b/RFdiffusion/.rosetta-ci/tests/self.py new file mode 100644 index 0000000000000000000000000000000000000000..b75f9a43327e0cf1194e383ee50603836c40c343 --- /dev/null +++ b/RFdiffusion/.rosetta-ci/tests/self.py @@ -0,0 +1,209 @@ +#!/usr/bin/env python +# -*- coding: utf-8 -*- +# :noTabs=true: + +# (c) Copyright Rosetta Commons Member Institutions. +# (c) This file is part of the Rosetta software suite and is made available under license. +# (c) The Rosetta software is developed by the contributing members of the Rosetta Commons. +# (c) For more information, see http://www.rosettacommons.org. Questions about this can be +# (c) addressed to University of Washington CoMotion, email: license@uw.edu. + +## @file dummy.py +## @brief self-test and debug-aids tests +## @author Sergey Lyskov + +import os, os.path, shutil, re, string +import json + +import random + +import imp +imp.load_source(__name__, '/'.join(__file__.split('/')[:-1]) + '/__init__.py') # A bit of Python magic here, what we trying to say is this: from __init__ import *, but init is calculated from file location + +_api_version_ = '1.0' + + +def run_state_test(repository_root, working_dir, platform, config): + revision_id = config['revision'] + states = (_S_passed_, _S_failed_, _S_build_failed_, _S_script_failed_) + state = states[revision_id % len(states)] + + return {_StateKey_ : state, _ResultsKey_ : {}, _LogKey_ : f'run_state_test: setting test state to {state!r}...' } + + +sub_test_description_template = '''\ +# subtests_test test suite +These sub-test description is generated for 3/4 of sub-tests + +----- +### {name} +The warm time, had already disappeared like dust. Broken rain, fragment of light shadow, bring more pain to my heart... +----- +''' + +def run_subtests_test(repository_root, working_dir, platform, config): + tests = {} + for i in range(16): + name = f's-{i:02}' + log = ('x'*63 + '\n') * 16 * 256 * i + s = i % 3 + if s == 0: state = _S_passed_ + elif s == 1: state = _S_failed_ + else: state = _S_script_failed_ + + if i % 4: + os.mkdir( f'{working_dir}/{name}' ) + with open(f'{working_dir}/{name}/description.md', 'w') as f: f.write( sub_test_description_template.format(**vars()) ) + + with open( f'{working_dir}/{name}/fantome.txt', 'w') as f: f.write('No one wants to hear the sequel to a fairytale\n') + + tests[name] = { _StateKey_ : state, _LogKey_ : log, } + + test_log = ('*'*63 + '\n') * 16 * 1024 * 16 + return {_StateKey_ : _S_failed_, _ResultsKey_ : {_TestsKey_: tests}, _LogKey_ : test_log } + + +def run_regression_test(repository_root, working_dir, platform, config): + const = 'const' + volatile = 'volatile' + new = ''.join( random.sample( string.ascii_letters + string.digits, 8) ) + oversized = 'oversized' + + sub_tests = [const, volatile, new] + + const_dir = working_dir + '/' + const + os.mkdir(const_dir) + with open(const_dir + '/const_data', 'w') as f: f.write( '\n'.join( (str(i) for i in range(32) ) ) ) + + volatile_dir = working_dir + '/' + volatile + os.mkdir(volatile_dir) + with open(volatile_dir + '/const_data', 'w') as f: f.write( '\n'.join( (str(i) for i in range(32, 64) ) ) ) + with open(volatile_dir + '/volatile_data', 'w') as f: f.write( '\n'.join( ( ''.join(random.sample( string.ascii_letters + string.digits, 8) ) for i in range(32) ) ) ) + + new_dir = working_dir + '/' + new + os.mkdir(new_dir) + with open(new_dir + '/data', 'w') as f: f.write( '\n'.join( (str(i) for i in range(64)) ) ) + + + new_dir = working_dir + '/' + oversized + os.mkdir(new_dir) + with open(new_dir + '/large', 'w') as f: f.write( ('x'*63 + '\n')*16*1024*256 +'extra') + + return {_StateKey_ : _S_queued_for_comparison_, _ResultsKey_ : {}, _LogKey_ : f'sub-tests: {sub_tests!r}' } + + + +def run_release_test(repository_root, working_dir, platform, config): + release_root = config['mounts'].get('release_root') + + branch = config['branch'] + revision = config['revision'] + + assert release_root, "config['release_root'] must be set!" + + release_path = f'{release_root}/dummy' + + if not os.path.isdir(release_path): os.makedirs(release_path) + + with open(f'{release_path}/{branch}-{revision}.txt', 'w') as f: f.write('dummy release file\n') + + return {_StateKey_ : _S_passed_, _ResultsKey_ : {}, _LogKey_ : f'Config release root set to: {release_root}'} + + + +def run_python_test(repository_root, working_dir, platform, config): + + import zlib, ssl + + python_environment = local_python_install(platform, config) + + if platform['python'][0] == '2': pass + else: + + if platform['os'] == 'mac' and int( platform['python'].split('.')[1] ) > 6 : + # SSL certificate test + import urllib.request; urllib.request.urlopen('https://benchmark.graylab.jhu.edu') + + ves = [ + setup_persistent_python_virtual_environment(python_environment, packages='colr dice xdice pdp11games'), + setup_python_virtual_environment(working_dir, python_environment, packages='colr dice xdice pdp11games'), + ] + + for ve in ves: + commands = [ + 'import colr, dice, xdice, pdp11games', + ] + + if platform['os'] == 'mac' and int( platform['python'].split('.')[1] ) > 6 : + # SSL certificate test + commands.append('import urllib.request; urllib.request.urlopen("https://benchmark.graylab.jhu.edu/queue")') + + for command in commands: + execute('Testing local Python virtual enviroment...', f"{ve.activate} && {ve.python} -c '{command}'") + execute('Testing local Python virtual enviroment...', f"{ve.activate} && python -c '{command}'") + + + + return {_StateKey_ : _S_passed_, _ResultsKey_ : {}, _LogKey_ : f'Done!'} + + + +def compare(test, results, files_path, previous_results, previous_files_path): + """ + Compare the results of two tests run (new vs. previous) for regression test + Take two dict and two paths + Must return standard dict with results + + :param test: str + :param results: dict + :param files_path: str + :param previous_results: dict + :param previous_files_path: str + :rtype: dict + """ + ignore_files = [] + + results = dict(tests={}, summary=dict(total=0, failed=0, failed_tests=[])) # , config={} + + if previous_files_path: + for test in os.listdir(files_path): + if os.path.isdir(files_path + '/' + test): + exclude = ''.join([' --exclude="{}"'.format(f) for f in ignore_files] ) + ' --exclude="*.ignore"' + res, brief_diff = execute('Comparing {}...'.format(test), 'diff -rq {exclude} {0}/{test} {1}/{test}'.format(previous_files_path, files_path, test=test, exclude=exclude), return_='tuple') + res, full_diff = execute('Comparing {}...'.format(test), 'diff -r {exclude} {0}/{test} {1}/{test}'.format(previous_files_path, files_path, test=test, exclude=exclude), return_='tuple') + diff = 'Brief Diff:\n' + brief_diff + ( ('\n\nFull Diff:\n' + full_diff[:1024*1024*1]) if full_diff != brief_diff else '' ) + + state = _S_failed_ if res else _S_passed_ + results['tests'][test] = {_StateKey_: state, _LogKey_: diff if state != _S_passed_ else ''} + + results['summary']['total'] += 1 + if res: results['summary']['failed'] += 1; results['summary']['failed_tests'].append(test) + + else: # no previous tests case, returning 'passed' for all sub_tests + for test in os.listdir(files_path): + if os.path.isdir(files_path + '/' + test): + results['tests'][test] = {_StateKey_: _S_passed_, _LogKey_: 'First run, no previous results available. Skipping comparison...\n'} + results['summary']['total'] += 1 + + for test in os.listdir(files_path): + if os.path.isdir(files_path + '/' + test): + if os.path.isfile(files_path+'/'+test+'/.test_did_not_run.log') or os.path.isfile(files_path+'/'+test+'/.test_got_timeout_kill.log'): + results['tests'][test][_StateKey_] = _S_script_failed_ + results['tests'][test][_LogKey_] += '\nCompare(...): Marking as "Script failed" due to presense of .test_did_not_run.log or .test_got_timeout_kill.log file!\n' + if test not in results['summary']['failed_tests']: + results['summary']['failed'] += 1 + results['summary']['failed_tests'].append(test) + + state = _S_failed_ if results['summary']['failed'] else _S_passed_ + + return {_StateKey_: state, _LogKey_: 'Comparison dummy log...', _ResultsKey_: results} + + +def run(test, repository_root, working_dir, platform, config, hpc_driver=None, verbose=False, debug=False): + if test == 'state': return run_state_test (repository_root, working_dir, platform, config) + elif test == 'regression': return run_regression_test (repository_root, working_dir, platform, config) + elif test == 'subtests': return run_subtests_test (repository_root, working_dir, platform, config) + elif test == 'release': return run_release_test (repository_root, working_dir, platform, config) + elif test == 'python': return run_python_test (repository_root, working_dir, platform, config) + + else: raise BenchmarkError(f'Dummy test script does not support run with test={test!r}!') diff --git a/RFdiffusion/END b/RFdiffusion/END new file mode 100644 index 0000000000000000000000000000000000000000..87a770485fa26dd2cbb2e9b7ee65c28dd222556a --- /dev/null +++ b/RFdiffusion/END @@ -0,0 +1,7 @@ +{ + "retCode":"100", + "retData":null, + "retMsg":"操作成功", + "retTime":"2022-11-05 22:20:09", + "success":true +} \ No newline at end of file diff --git a/RFdiffusion/LICENSE b/RFdiffusion/LICENSE new file mode 100644 index 0000000000000000000000000000000000000000..9643349d19aea5be2bd31bf1c4a52c727e471160 --- /dev/null +++ b/RFdiffusion/LICENSE @@ -0,0 +1,30 @@ +BSD License + +Copyright (c) 2023 University of Washington. Developed at the Institute for +Protein Design by Joseph Watson, David Juergens, Nathaniel Bennett, Brian Trippe +and Jason Yim + +Redistribution and use in source and binary forms, with or without +modification, are permitted provided that the following conditions are met: + +Redistributions of source code must retain the above copyright notice, this +list of conditions and the following disclaimer. + +Redistributions in binary form must reproduce the above copyright notice, this +list of conditions and the following disclaimer in the documentation and/or +other materials provided with the distribution. + +Neither the name of the University of Washington nor the names of its +contributors may be used to endorse or promote products derived from this +software without specific prior written permission. + +THIS SOFTWARE IS PROVIDED BY THE UNIVERSITY OF WASHINGTON AND CONTRIBUTORS “AS +IS” AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE +IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE +DISCLAIMED. IN NO EVENT SHALL THE UNIVERSITY OF WASHINGTON OR CONTRIBUTORS BE +LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR +CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE +GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) +HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT +LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT +OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. diff --git a/RFdiffusion/appverifUI.dll b/RFdiffusion/appverifUI.dll new file mode 100644 index 0000000000000000000000000000000000000000..a930d4e2fb0814897a8b65ca9469c332d3599a9e Binary files /dev/null and b/RFdiffusion/appverifUI.dll differ diff --git a/RFdiffusion/config/inference/base.yaml b/RFdiffusion/config/inference/base.yaml new file mode 100644 index 0000000000000000000000000000000000000000..1c8cae1be17dd482b20d994b9fa651f78535021f --- /dev/null +++ b/RFdiffusion/config/inference/base.yaml @@ -0,0 +1,136 @@ +# Base inference Configuration. + +inference: + input_pdb: null + num_designs: 10 + design_startnum: 0 + ckpt_override_path: null + symmetry: null + recenter: True + radius: 10.0 + model_only_neighbors: False + output_prefix: samples/design + write_trajectory: True + scaffold_guided: False + model_runner: SelfConditioning + cautious: True + align_motif: True + symmetric_self_cond: True + final_step: 1 + deterministic: False + trb_save_ckpt_path: null + schedule_directory_path: null + model_directory_path: null + +contigmap: + contigs: null + inpaint_seq: null + provide_seq: null + length: null + +model: + n_extra_block: 4 + n_main_block: 32 + n_ref_block: 4 + d_msa: 256 + d_msa_full: 64 + d_pair: 128 + d_templ: 64 + n_head_msa: 8 + n_head_pair: 4 + n_head_templ: 4 + d_hidden: 32 + d_hidden_templ: 32 + p_drop: 0.15 + SE3_param_full: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 8 + l0_out_features: 8 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 32 + SE3_param_topk: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 64 + l0_out_features: 64 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 64 + freeze_track_motif: False + use_motif_timestep: False + +diffuser: + T: 50 + b_0: 1e-2 + b_T: 7e-2 + schedule_type: linear + so3_type: igso3 + crd_scale: 0.25 + partial_T: null + so3_schedule_type: linear + min_b: 1.5 + max_b: 2.5 + min_sigma: 0.02 + max_sigma: 1.5 + +denoiser: + noise_scale_ca: 1 + final_noise_scale_ca: 1 + ca_noise_schedule_type: constant + noise_scale_frame: 1 + final_noise_scale_frame: 1 + frame_noise_schedule_type: constant + +ppi: + hotspot_res: null + +potentials: + guiding_potentials: null + guide_scale: 10 + guide_decay: constant + olig_inter_all : null + olig_intra_all : null + olig_custom_contact : null + substrate: null + +contig_settings: + ref_idx: null + hal_idx: null + idx_rf: null + inpaint_seq_tensor: null + +preprocess: + sidechain_input: False + motif_sidechain_input: True + d_t1d: 22 + d_t2d: 44 + prob_self_cond: 0.0 + str_self_cond: False + predict_previous: False + +logging: + inputs: False + +scaffoldguided: + scaffoldguided: False + target_pdb: False + target_path: null + scaffold_list: null + scaffold_dir: null + sampled_insertion: 0 + sampled_N: 0 + sampled_C: 0 + ss_mask: 0 + systematic: False + target_ss: null + target_adj: null + mask_loops: True + contig_crop: null diff --git a/RFdiffusion/config/inference/symmetry.yaml b/RFdiffusion/config/inference/symmetry.yaml new file mode 100644 index 0000000000000000000000000000000000000000..6d1d22a11294a09a003d8948114629924aabe059 --- /dev/null +++ b/RFdiffusion/config/inference/symmetry.yaml @@ -0,0 +1,26 @@ +# Config for sampling symmetric assemblies. + +defaults: + - base + +inference: + # Symmetry to sample + # Available symmetries: + # - Cyclic symmetry (C_n) # call as c5 + # - Dihedral symmetry (D_n) # call as d5 + # - Tetrahedral symmetry # call as tetrahedral + # - Octahedral symmetry # call as octahedral + # - Icosahedral symmetry # call as icosahedral + symmetry: c2 + + # Set to true for computational efficiency + # to avoid memory overhead of modeling all subunits. + model_only_neighbors: False + + # Output directory of samples. + output_prefix: samples/c2 + +contigmap: + # Specify a single integer value to sample unconditionally. + # Must be evenly divisible by the number of chains in the symmetry. + contigs: ['100'] diff --git a/RFdiffusion/docker/Dockerfile b/RFdiffusion/docker/Dockerfile new file mode 100644 index 0000000000000000000000000000000000000000..8364cb10907c13ca521ed329d40dc94adfe7a1fa --- /dev/null +++ b/RFdiffusion/docker/Dockerfile @@ -0,0 +1,50 @@ +# Usage: +# git clone https://github.com/RosettaCommons/RFdiffusion.git +# cd RFdiffusion +# docker build -f docker/Dockerfile -t rfdiffusion . +# mkdir $HOME/inputs $HOME/outputs $HOME/models +# bash scripts/download_models.sh $HOME/models +# wget -P $HOME/inputs https://files.rcsb.org/view/5TPN.pdb + +# docker run -it --rm --gpus all \ +# -v $HOME/models:$HOME/models \ +# -v $HOME/inputs:$HOME/inputs \ +# -v $HOME/outputs:$HOME/outputs \ +# rfdiffusion \ +# inference.output_prefix=$HOME/outputs/motifscaffolding \ +# inference.model_directory_path=$HOME/models \ +# inference.input_pdb=$HOME/inputs/5TPN.pdb \ +# inference.num_designs=3 \ +# 'contigmap.contigs=[10-40/A163-181/10-40]' + +FROM nvcr.io/nvidia/cuda:11.6.2-cudnn8-runtime-ubuntu20.04 + +COPY . /app/RFdiffusion/ + +RUN apt-get -q update \ + && DEBIAN_FRONTEND=noninteractive apt-get install --no-install-recommends -y \ + git \ + python3.9 \ + python3-pip \ + && python3.9 -m pip install -q -U --no-cache-dir pip \ + && rm -rf /var/lib/apt/lists/* \ + && apt-get autoremove -y \ + && apt-get clean \ + && pip install -q --no-cache-dir \ + dgl==1.0.2+cu116 -f https://data.dgl.ai/wheels/cu116/repo.html \ + torch==1.12.1+cu116 --extra-index-url https://download.pytorch.org/whl/cu116 \ + e3nn==0.3.3 \ + wandb==0.12.0 \ + pynvml==11.0.0 \ + git+https://github.com/NVIDIA/dllogger#egg=dllogger \ + decorator==5.1.0 \ + hydra-core==1.3.2 \ + pyrsistent==0.19.3 \ + /app/RFdiffusion/env/SE3Transformer \ + && pip install --no-cache-dir /app/RFdiffusion --no-deps + +WORKDIR /app/RFdiffusion + +ENV DGLBACKEND="pytorch" + +ENTRYPOINT ["python3.9", "scripts/run_inference.py"] diff --git a/RFdiffusion/env/SE3Transformer/.dockerignore b/RFdiffusion/env/SE3Transformer/.dockerignore new file mode 100644 index 0000000000000000000000000000000000000000..0c2dd9df490f1bcc65de2f9a4fb1f117ea3848da --- /dev/null +++ b/RFdiffusion/env/SE3Transformer/.dockerignore @@ -0,0 +1,123 @@ +.Trash-0 +.git +data/ +.DS_Store +*wandb/ +*.pt +*.swp + +# added by FAFU +.idea/ +cache/ +downloaded/ +*.lprof + +# Byte-compiled / optimized / DLL files +__pycache__/ +*.py[cod] +*$py.class + +# C extensions +*.so + +# Distribution / packaging +.Python +build/ +develop-eggs/ +dist/ +downloads/ +eggs/ +.eggs/ +lib/ +lib64/ +parts/ +sdist/ +var/ +wheels/ +*.egg-info/ +.installed.cfg +*.egg +MANIFEST + +# PyInstaller +# Usually these files are written by a python script from a template +# before PyInstaller builds the exe, so as to inject date/other infos into it. +*.manifest +*.spec + +# Installer logs +pip-log.txt +pip-delete-this-directory.txt + +# Unit test / coverage reports +htmlcov/ +.tox/ +.coverage +.coverage.* +.cache +nosetests.xml +coverage.xml +*.cover +.hypothesis/ +.pytest_cache/ + +# Translations +*.mo +*.pot + +# Django stuff: +*.log +local_settings.py +db.sqlite3 + +# Flask stuff: +instance/ +.webassets-cache + +# Scrapy stuff: +.scrapy + +# Sphinx documentation +docs/_build/ + +# PyBuilder +target/ + +# Jupyter Notebook +.ipynb_checkpoints + +# pyenv +.python-version + +# celery beat schedule file +celerybeat-schedule + +# SageMath parsed files +*.sage.py + +# Environments +.env +.venv +env/ +venv/ +ENV/ +env.bak/ +venv.bak/ + +# Spyder project settings +.spyderproject +.spyproject + +# Rope project settings +.ropeproject + +# mkdocs documentation +/site + +# mypy +.mypy_cache/ + +**/benchmark +**/results +*.pkl +*.log diff --git a/RFdiffusion/env/SE3Transformer/.gitignore b/RFdiffusion/env/SE3Transformer/.gitignore new file mode 100644 index 0000000000000000000000000000000000000000..773e77520fb210dd8ba59129ee67afe54d5e560c --- /dev/null +++ b/RFdiffusion/env/SE3Transformer/.gitignore @@ -0,0 +1,121 @@ +data/ +.DS_Store +*wandb/ +*.pt +*.swp + +# added by FAFU +.idea/ +cache/ +downloaded/ +*.lprof + +# Byte-compiled / optimized / DLL files +__pycache__/ +*.py[cod] +*$py.class + +# C extensions +*.so + +# Distribution / packaging +.Python +build/ +develop-eggs/ +dist/ +downloads/ +eggs/ +.eggs/ +lib/ +lib64/ +parts/ +sdist/ +var/ +wheels/ +*.egg-info/ +.installed.cfg +*.egg +MANIFEST + +# PyInstaller +# Usually these files are written by a python script from a template +# before PyInstaller builds the exe, so as to inject date/other infos into it. +*.manifest +*.spec + +# Installer logs +pip-log.txt +pip-delete-this-directory.txt + +# Unit test / coverage reports +htmlcov/ +.tox/ +.coverage +.coverage.* +.cache +nosetests.xml +coverage.xml +*.cover +.hypothesis/ +.pytest_cache/ + +# Translations +*.mo +*.pot + +# Django stuff: +*.log +local_settings.py +db.sqlite3 + +# Flask stuff: +instance/ +.webassets-cache + +# Scrapy stuff: +.scrapy + +# Sphinx documentation +docs/_build/ + +# PyBuilder +target/ + +# Jupyter Notebook +.ipynb_checkpoints + +# pyenv +.python-version + +# celery beat schedule file +celerybeat-schedule + +# SageMath parsed files +*.sage.py + +# Environments +.env +.venv +env/ +venv/ +ENV/ +env.bak/ +venv.bak/ + +# Spyder project settings +.spyderproject +.spyproject + +# Rope project settings +.ropeproject + +# mkdocs documentation +/site + +# mypy +.mypy_cache/ + +**/benchmark +**/results +*.pkl +*.log \ No newline at end of file diff --git a/RFdiffusion/env/SE3Transformer/Dockerfile b/RFdiffusion/env/SE3Transformer/Dockerfile new file mode 100644 index 0000000000000000000000000000000000000000..fcc163ba9ac70319efa9163527ee476201e89f9e --- /dev/null +++ b/RFdiffusion/env/SE3Transformer/Dockerfile @@ -0,0 +1,58 @@ +# Copyright (c) 2021, NVIDIA CORPORATION & AFFILIATES. All rights reserved. +# +# Permission is hereby granted, free of charge, to any person obtaining a +# copy of this software and associated documentation files (the "Software"), +# to deal in the Software without restriction, including without limitation +# the rights to use, copy, modify, merge, publish, distribute, sublicense, +# and/or sell copies of the Software, and to permit persons to whom the +# Software is furnished to do so, subject to the following conditions: +# +# The above copyright notice and this permission notice shall be included in +# all copies or substantial portions of the Software. +# +# THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR +# IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, +# FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL +# THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER +# LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING +# FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER +# DEALINGS IN THE SOFTWARE. +# +# SPDX-FileCopyrightText: Copyright (c) 2021 NVIDIA CORPORATION & AFFILIATES +# SPDX-License-Identifier: MIT + +# run docker daemon with --default-runtime=nvidia for GPU detection during build +# multistage build for DGL with CUDA and FP16 + +ARG FROM_IMAGE_NAME=nvcr.io/nvidia/pytorch:21.07-py3 + +FROM ${FROM_IMAGE_NAME} AS dgl_builder + +ENV DEBIAN_FRONTEND=noninteractive +RUN apt-get update \ + && apt-get install -y git build-essential python3-dev make cmake \ + && rm -rf /var/lib/apt/lists/* +WORKDIR /dgl +RUN git clone --branch v0.7.0 --recurse-submodules --depth 1 https://github.com/dmlc/dgl.git . +RUN sed -i 's/"35 50 60 70"/"60 70 80"/g' cmake/modules/CUDA.cmake +WORKDIR build +RUN cmake -DUSE_CUDA=ON -DUSE_FP16=ON .. +RUN make -j8 + + +FROM ${FROM_IMAGE_NAME} + +RUN rm -rf /workspace/* +WORKDIR /workspace/se3-transformer + +# copy built DGL and install it +COPY --from=dgl_builder /dgl ./dgl +RUN cd dgl/python && python setup.py install && cd ../.. && rm -rf dgl + +ADD requirements.txt . +RUN pip install --no-cache-dir --upgrade --pre pip +RUN pip install --no-cache-dir -r requirements.txt +ADD . . + +ENV DGLBACKEND=pytorch +ENV OMP_NUM_THREADS=1 diff --git a/RFdiffusion/env/SE3Transformer/LICENSE b/RFdiffusion/env/SE3Transformer/LICENSE new file mode 100644 index 0000000000000000000000000000000000000000..2193d1457cf439782158fa5770a26b435e95f8d3 --- /dev/null +++ b/RFdiffusion/env/SE3Transformer/LICENSE @@ -0,0 +1,7 @@ +Copyright 2021 NVIDIA CORPORATION & AFFILIATES + +Permission is hereby granted, free of charge, to any person obtaining a copy of this software and associated documentation files (the "Software"), to deal in the Software without restriction, including without limitation the rights to use, copy, modify, merge, publish, distribute, sublicense, and/or sell copies of the Software, and to permit persons to whom the Software is furnished to do so, subject to the following conditions: + +The above copyright notice and this permission notice shall be included in all copies or substantial portions of the Software. + +THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE SOFTWARE. diff --git a/RFdiffusion/env/SE3Transformer/NOTICE b/RFdiffusion/env/SE3Transformer/NOTICE new file mode 100644 index 0000000000000000000000000000000000000000..70c56df88bbc7f30c94eedabb67d5384fc9ec696 --- /dev/null +++ b/RFdiffusion/env/SE3Transformer/NOTICE @@ -0,0 +1,7 @@ +SE(3)-Transformer PyTorch + +This repository includes software from https://github.com/FabianFuchsML/se3-transformer-public +licensed under the MIT License. + +This repository includes software from https://github.com/lucidrains/se3-transformer-pytorch +licensed under the MIT License. diff --git a/RFdiffusion/env/SE3Transformer/README.md b/RFdiffusion/env/SE3Transformer/README.md new file mode 100644 index 0000000000000000000000000000000000000000..a4afc585a36b00fc5d5ae8181578f1b22c1ee0a4 --- /dev/null +++ b/RFdiffusion/env/SE3Transformer/README.md @@ -0,0 +1,580 @@ +# SE(3)-Transformers For PyTorch + +This repository provides a script and recipe to train the SE(3)-Transformer model to achieve state-of-the-art accuracy. The content of this repository is tested and maintained by NVIDIA. + +## Table Of Contents +- [Model overview](#model-overview) + * [Model architecture](#model-architecture) + * [Default configuration](#default-configuration) + * [Feature support matrix](#feature-support-matrix) + * [Features](#features) + * [Mixed precision training](#mixed-precision-training) + * [Enabling mixed precision](#enabling-mixed-precision) + * [Enabling TF32](#enabling-tf32) + * [Glossary](#glossary) +- [Setup](#setup) + * [Requirements](#requirements) +- [Quick Start Guide](#quick-start-guide) +- [Advanced](#advanced) + * [Scripts and sample code](#scripts-and-sample-code) + * [Parameters](#parameters) + * [Command-line options](#command-line-options) + * [Getting the data](#getting-the-data) + * [Dataset guidelines](#dataset-guidelines) + * [Multi-dataset](#multi-dataset) + * [Training process](#training-process) + * [Inference process](#inference-process) +- [Performance](#performance) + * [Benchmarking](#benchmarking) + * [Training performance benchmark](#training-performance-benchmark) + * [Inference performance benchmark](#inference-performance-benchmark) + * [Results](#results) + * [Training accuracy results](#training-accuracy-results) + * [Training accuracy: NVIDIA DGX A100 (8x A100 80GB)](#training-accuracy-nvidia-dgx-a100-8x-a100-80gb) + * [Training accuracy: NVIDIA DGX-1 (8x V100 16GB)](#training-accuracy-nvidia-dgx-1-8x-v100-16gb) + * [Training stability test](#training-stability-test) + * [Training performance results](#training-performance-results) + * [Training performance: NVIDIA DGX A100 (8x A100 80GB)](#training-performance-nvidia-dgx-a100-8x-a100-80gb) + * [Training performance: NVIDIA DGX-1 (8x V100 16GB)](#training-performance-nvidia-dgx-1-8x-v100-16gb) + * [Inference performance results](#inference-performance-results) + * [Inference performance: NVIDIA DGX A100 (1x A100 80GB)](#inference-performance-nvidia-dgx-a100-1x-a100-80gb) + * [Inference performance: NVIDIA DGX-1 (1x V100 16GB)](#inference-performance-nvidia-dgx-1-1x-v100-16gb) +- [Release notes](#release-notes) + * [Changelog](#changelog) + * [Known issues](#known-issues) + + + +## Model overview + + +The **SE(3)-Transformer** is a Graph Neural Network using a variant of [self-attention](https://arxiv.org/abs/1706.03762v5) for 3D points and graphs processing. +This model is [equivariant](https://en.wikipedia.org/wiki/Equivariant_map) under [continuous 3D roto-translations](https://en.wikipedia.org/wiki/Euclidean_group), meaning that when the inputs (graphs or sets of points) rotate in 3D space (or more generally experience a [proper rigid transformation](https://en.wikipedia.org/wiki/Rigid_transformation)), the model outputs either stay invariant or transform with the input. +A mathematical guarantee of equivariance is important to ensure stable and predictable performance in the presence of nuisance transformations of the data input and when the problem has some inherent symmetries we want to exploit. + + +The model is based on the following publications: +- [SE(3)-Transformers: 3D Roto-Translation Equivariant Attention Networks](https://arxiv.org/abs/2006.10503) (NeurIPS 2020) by Fabian B. Fuchs, Daniel E. Worrall, et al. +- [Tensor field networks: Rotation- and translation-equivariant neural networks for 3D point clouds](https://arxiv.org/abs/1802.08219) by Nathaniel Thomas, Tess Smidt, et al. + +A follow-up paper explains how this model can be used iteratively, for example, to predict or refine protein structures: + +- [Iterative SE(3)-Transformers](https://arxiv.org/abs/2102.13419) by Fabian B. Fuchs, Daniel E. Worrall, et al. + +Just like [the official implementation](https://github.com/FabianFuchsML/se3-transformer-public), this implementation uses [PyTorch](https://pytorch.org/) and the [Deep Graph Library (DGL)](https://www.dgl.ai/). + +The main differences between this implementation of SE(3)-Transformers and the official one are the following: + +- Training and inference support for multiple GPUs +- Training and inference support for [Mixed Precision](https://arxiv.org/abs/1710.03740) +- The [QM9 dataset from DGL](https://docs.dgl.ai/en/latest/api/python/dgl.data.html#qm9edge-dataset) is used and automatically downloaded +- Significantly increased throughput +- Significantly reduced memory consumption +- The use of layer normalization in the fully connected radial profile layers is an option (`--use_layer_norm`), off by default +- The use of equivariant normalization between attention layers is an option (`--norm`), off by default +- The [spherical harmonics](https://en.wikipedia.org/wiki/Spherical_harmonic) and [Clebsch–Gordan coefficients](https://en.wikipedia.org/wiki/Clebsch%E2%80%93Gordan_coefficients), used to compute bases matrices, are computed with the [e3nn library](https://e3nn.org/) + + + +This model enables you to predict quantum chemical properties of small organic molecules in the [QM9 dataset](https://www.nature.com/articles/sdata201422). +In this case, the exploited symmetry is that these properties do not depend on the orientation or position of the molecules in space. + + +This model is trained with mixed precision using Tensor Cores on NVIDIA Volta, NVIDIA Turing, and the NVIDIA Ampere GPU architectures. Therefore, researchers can get results up to 1.5x faster than training without Tensor Cores while experiencing the benefits of mixed precision training. This model is tested against each NGC monthly container release to ensure consistent accuracy and performance over time. + +### Model architecture + +The model consists of stacked layers of equivariant graph self-attention and equivariant normalization. +Lastly, a Tensor Field Network convolution is applied to obtain invariant features. Graph pooling (mean or max over the nodes) is applied to these features, and the result is fed to a final MLP to get scalar predictions. + +In this setup, the model is a graph-to-scalar network. The pooling can be removed to obtain a graph-to-graph network, and the final TFN can be modified to output features of any type (invariant scalars, 3D vectors, ...). + + +![Model high-level architecture](./images/se3-transformer.png) + + +### Default configuration + + +SE(3)-Transformers introduce a self-attention layer for graphs that is equivariant to 3D roto-translations. It achieves this by leveraging Tensor Field Networks to build attention weights that are invariant and attention values that are equivariant. +Combining the equivariant values with the invariant weights gives rise to an equivariant output. This output is normalized while preserving equivariance thanks to equivariant normalization layers operating on feature norms. + + +The following features were implemented in this model: + +- Support for edge features of any degree (1D, 3D, 5D, ...), whereas the official implementation only supports scalar invariant edge features (degree 0). Edge features with a degree greater than one are +concatenated to node features of the same degree. This is required in order to reproduce published results on point cloud processing. +- Data-parallel multi-GPU training (DDP) +- Mixed precision training (autocast, gradient scaling) +- Gradient accumulation +- Model checkpointing + + +The following performance optimizations were implemented in this model: + + +**General optimizations** + +- The option is provided to precompute bases at the beginning of the training instead of computing them at the beginning of each forward pass (`--precompute_bases`) +- The bases computation is just-in-time (JIT) compiled with `torch.jit.script` +- The Clebsch-Gordon coefficients are cached in RAM + + +**Tensor Field Network optimizations** + +- The last layer of each radial profile network does not add any bias in order to avoid large broadcasting operations +- The layout (order of dimensions) of the bases tensors is optimized to avoid copies to contiguous memory in the downstream TFN layers +- When Tensor Cores are available, and the output feature dimension of computed bases is odd, then it is padded with zeros to make more effective use of Tensor Cores (AMP and TF32 precisions) +- Multiple levels of fusion for TFN convolutions (and radial profiles) are provided and automatically used when conditions are met +- A low-memory mode is provided that will trade throughput for less memory use (`--low_memory`) + +**Self-attention optimizations** + +- Attention keys and values are computed by a single partial TFN graph convolution in each attention layer instead of two +- Graph operations for different output degrees may be fused together if conditions are met + + +**Normalization optimizations** + +- The equivariant normalization layer is optimized from multiple layer normalizations to a group normalization on fused norms when certain conditions are met + + + +Competitive training results and analysis are provided for the following hyperparameters (identical to the ones in the original publication): +- Number of layers: 7 +- Number of degrees: 4 +- Number of channels: 32 +- Number of attention heads: 8 +- Channels division: 2 +- Use of equivariant normalization: true +- Use of layer normalization: true +- Pooling: max + + +### Feature support matrix + +This model supports the following features:: + +| Feature | SE(3)-Transformer +|-----------------------|-------------------------- +|Automatic mixed precision (AMP) | Yes +|Distributed data parallel (DDP) | Yes + +#### Features + + +**Distributed data parallel (DDP)** + +[DistributedDataParallel (DDP)](https://pytorch.org/docs/stable/generated/torch.nn.parallel.DistributedDataParallel.html#torch.nn.parallel.DistributedDataParallel) implements data parallelism at the module level that can run across multiple GPUs or machines. + +**Automatic Mixed Precision (AMP)** + +This implementation uses the native PyTorch AMP implementation of mixed precision training. It allows us to use FP16 training with FP32 master weights by modifying just a few lines of code. A detailed explanation of mixed precision can be found in the next section. + +### Mixed precision training + +Mixed precision is the combined use of different numerical precisions in a computational method. [Mixed precision](https://arxiv.org/abs/1710.03740) training offers significant computational speedup by performing operations in half-precision format while storing minimal information in single-precision to retain as much information as possible in critical parts of the network. Since the introduction of [Tensor Cores](https://developer.nvidia.com/tensor-cores) in NVIDIA Volta, and following with both the NVIDIA Turing and NVIDIA Ampere Architectures, significant training speedups are experienced by switching to mixed precision -- up to 3x overall speedup on the most arithmetically intense model architectures. Using [mixed precision training](https://docs.nvidia.com/deeplearning/performance/mixed-precision-training/index.html) previously required two steps: +1. Porting the model to use the FP16 data type where appropriate. +2. Adding loss scaling to preserve small gradient values. + +AMP enables mixed precision training on NVIDIA Volta, NVIDIA Turing, and NVIDIA Ampere GPU architectures automatically. The PyTorch framework code makes all necessary model changes internally. + +For information about: +- How to train using mixed precision, refer to the [Mixed Precision Training](https://arxiv.org/abs/1710.03740) paper and [Training With Mixed Precision](https://docs.nvidia.com/deeplearning/performance/mixed-precision-training/index.html) documentation. +- Techniques used for mixed precision training, refer to the [Mixed-Precision Training of Deep Neural Networks](https://devblogs.nvidia.com/mixed-precision-training-deep-neural-networks/) blog. +- APEX tools for mixed precision training, refer to the [NVIDIA Apex: Tools for Easy Mixed-Precision Training in PyTorch](https://devblogs.nvidia.com/apex-pytorch-easy-mixed-precision-training/). + +#### Enabling mixed precision + +Mixed precision is enabled in PyTorch by using the native [Automatic Mixed Precision package](https://pytorch.org/docs/stable/amp.html), which casts variables to half-precision upon retrieval while storing variables in single-precision format. Furthermore, to preserve small gradient magnitudes in backpropagation, a [loss scaling](https://docs.nvidia.com/deeplearning/sdk/mixed-precision-training/index.html#lossscaling) step must be included when applying gradients. In PyTorch, loss scaling can be applied automatically using a `GradScaler`. +Automatic Mixed Precision makes all the adjustments internally in PyTorch, providing two benefits over manual operations. First, programmers need not modify network model code, reducing development and maintenance effort. Second, using AMP maintains forward and backward compatibility with all the APIs for defining and running PyTorch models. + +To enable mixed precision, you can simply use the `--amp` flag when running the training or inference scripts. + +#### Enabling TF32 + +TensorFloat-32 (TF32) is the new math mode in [NVIDIA A100](https://www.nvidia.com/en-us/data-center/a100/) GPUs for handling the matrix math, also called tensor operations. TF32 running on Tensor Cores in A100 GPUs can provide up to 10x speedups compared to single-precision floating-point math (FP32) on NVIDIA Volta GPUs. + +TF32 Tensor Cores can speed up networks using FP32, typically with no loss of accuracy. It is more robust than FP16 for models that require a high dynamic range for weights or activations. + +For more information, refer to the [TensorFloat-32 in the A100 GPU Accelerates AI Training, HPC up to 20x](https://blogs.nvidia.com/blog/2020/05/14/tensorfloat-32-precision-format/) blog post. + +TF32 is supported in the NVIDIA Ampere GPU architecture and is enabled by default. + + + +### Glossary + +**Degree (type)** + +In the model, every feature (input, output and hidden) transforms in an equivariant way in relation to the input graph. When we define a feature, we need to choose, in addition to the number of channels, which transformation rule it obeys. + +The degree or type of a feature is a positive integer that describes how this feature transforms when the input rotates in 3D. + +This is related to [irreducible representations](https://en.wikipedia.org/wiki/Irreducible_representation) of different rotation orders. + +The degree of a feature determines its dimensionality. A type-d feature has a dimensionality of 2d+1. + +Some common examples include: +- Degree 0: 1D scalars invariant to rotation +- Degree 1: 3D vectors that rotate according to 3D rotation matrices +- Degree 2: 5D vectors that rotate according to 5D [Wigner-D matrices](https://en.wikipedia.org/wiki/Wigner_D-matrix). These can represent symmetric traceless 3x3 matrices. + +**Fiber** + +A fiber can be viewed as a representation of a set of features of different types or degrees (positive integers), where each feature type transforms according to its rule. + +In this repository, a fiber can be seen as a dictionary with degrees as keys and numbers of channels as values. + +**Multiplicity** + +The multiplicity of a feature of a given type is the number of channels of this feature. + +**Tensor Field Network** + +A [Tensor Field Network](https://arxiv.org/abs/1802.08219) is a kind of equivariant graph convolution that can combine features of different degrees and produce new ones while preserving equivariance thanks to [tensor products](https://en.wikipedia.org/wiki/Tensor_product). + +**Equivariance** + +[Equivariance](https://en.wikipedia.org/wiki/Equivariant_map) is a property of a function of model stating that applying a symmetry transformation to the input and then computing the function produces the same result as computing the function and then applying the transformation to the output. + +In the case of SE(3)-Transformer, the symmetry group is the group of continuous roto-translations (SE(3)). + +## Setup + +The following section lists the requirements that you need to meet in order to start training the SE(3)-Transformer model. + +### Requirements + +This repository contains a Dockerfile which extends the PyTorch 21.07 NGC container and encapsulates some dependencies. Aside from these dependencies, ensure you have the following components: +- [NVIDIA Docker](https://github.com/NVIDIA/nvidia-docker) +- PyTorch 21.07+ NGC container +- Supported GPUs: + - [NVIDIA Volta architecture](https://www.nvidia.com/en-us/data-center/volta-gpu-architecture/) + - [NVIDIA Turing architecture](https://www.nvidia.com/en-us/design-visualization/technologies/turing-architecture/) + - [NVIDIA Ampere architecture](https://www.nvidia.com/en-us/data-center/nvidia-ampere-gpu-architecture/) + +For more information about how to get started with NGC containers, refer to the following sections from the NVIDIA GPU Cloud Documentation and the Deep Learning Documentation: +- [Getting Started Using NVIDIA GPU Cloud](https://docs.nvidia.com/ngc/ngc-getting-started-guide/index.html) +- [Accessing And Pulling From The NGC Container Registry](https://docs.nvidia.com/deeplearning/frameworks/user-guide/index.html#accessing_registry) +- [Running PyTorch](https://docs.nvidia.com/deeplearning/frameworks/pytorch-release-notes/running.html#running) + +For those unable to use the PyTorch NGC container to set up the required environment or create your own container, refer to the versioned [NVIDIA Container Support Matrix](https://docs.nvidia.com/deeplearning/frameworks/support-matrix/index.html). + +## Quick Start Guide + +To train your model using mixed or TF32 precision with Tensor Cores or FP32, perform the following steps using the default parameters of the SE(3)-Transformer model on the QM9 dataset. For the specifics concerning training and inference, refer to the [Advanced](#advanced) section. + +1. Clone the repository. + ``` + git clone https://github.com/NVIDIA/DeepLearningExamples + cd DeepLearningExamples/PyTorch/DrugDiscovery/SE3Transformer + ``` + +2. Build the `se3-transformer` PyTorch NGC container. + ``` + docker build -t se3-transformer . + ``` + +3. Start an interactive session in the NGC container to run training/inference. + ``` + mkdir -p results + docker run -it --runtime=nvidia --shm-size=8g --ulimit memlock=-1 --ulimit stack=67108864 --rm -v ${PWD}/results:/results se3-transformer:latest + ``` + +4. Start training. + ``` + bash scripts/train.sh + ``` + +5. Start inference/predictions. + ``` + bash scripts/predict.sh + ``` + + +Now that you have your model trained and evaluated, you can choose to compare your training results with our [Training accuracy results](#training-accuracy-results). You can also choose to benchmark your performance to [Training performance benchmark](#training-performance-results) or [Inference performance benchmark](#inference-performance-results). Following the steps in these sections will ensure that you achieve the same accuracy and performance results as stated in the [Results](#results) section. + +## Advanced + +The following sections provide greater details of the dataset, running training and inference, and the training results. + +### Scripts and sample code + +In the root directory, the most important files are: +- `Dockerfile`: container with the basic set of dependencies to run SE(3)-Transformers +- `requirements.txt`: set of extra requirements to run SE(3)-Transformers +- `se3_transformer/data_loading/qm9.py`: QM9 data loading and preprocessing, as well as bases precomputation +- `se3_transformer/model/layers/`: directory containing model architecture layers +- `se3_transformer/model/transformer.py`: main Transformer module +- `se3_transformer/model/basis.py`: logic for computing bases matrices +- `se3_transformer/runtime/training.py`: training script, to be run as a python module +- `se3_transformer/runtime/inference.py`: inference script, to be run as a python module +- `se3_transformer/runtime/metrics.py`: MAE metric with support for multi-GPU synchronization +- `se3_transformer/runtime/loggers.py`: [DLLogger](https://github.com/NVIDIA/dllogger) and [W&B](wandb.ai/) loggers + + +### Parameters + +The complete list of the available parameters for the `training.py` script contains: + +**General** + +- `--epochs`: Number of training epochs (default: `100` for single-GPU) +- `--batch_size`: Batch size (default: `240`) +- `--seed`: Set a seed globally (default: `None`) +- `--num_workers`: Number of dataloading workers (default: `8`) +- `--amp`: Use Automatic Mixed Precision (default `false`) +- `--gradient_clip`: Clipping of the gradient norms (default: `None`) +- `--accumulate_grad_batches`: Gradient accumulation (default: `1`) +- `--ckpt_interval`: Save a checkpoint every N epochs (default: `-1`) +- `--eval_interval`: Do an evaluation round every N epochs (default: `1`) +- `--silent`: Minimize stdout output (default: `false`) + +**Paths** + +- `--data_dir`: Directory where the data is located or should be downloaded (default: `./data`) +- `--log_dir`: Directory where the results logs should be saved (default: `/results`) +- `--save_ckpt_path`: File where the checkpoint should be saved (default: `None`) +- `--load_ckpt_path`: File of the checkpoint to be loaded (default: `None`) + +**Optimizer** + +- `--optimizer`: Optimizer to use (default: `adam`) +- `--learning_rate`: Learning rate to use (default: `0.002` for single-GPU) +- `--momentum`: Momentum to use (default: `0.9`) +- `--weight_decay`: Weight decay to use (default: `0.1`) + +**QM9 dataset** + +- `--task`: Regression task to train on (default: `homo`) +- `--precompute_bases`: Precompute bases at the beginning of the script during dataset initialization, instead of computing them at the beginning of each forward pass (default: `false`) + +**Model architecture** + +- `--num_layers`: Number of stacked Transformer layers (default: `7`) +- `--num_heads`: Number of heads in self-attention (default: `8`) +- `--channels_div`: Channels division before feeding to attention layer (default: `2`) +- `--pooling`: Type of graph pooling (default: `max`) +- `--norm`: Apply a normalization layer after each attention block (default: `false`) +- `--use_layer_norm`: Apply layer normalization between MLP layers (default: `false`) +- `--low_memory`: If true, will use fused ops that are slower but use less memory (expect 25 percent less memory). Only has an effect if AMP is enabled on NVIDIA Volta GPUs or if running on Ampere GPUs (default: `false`) +- `--num_degrees`: Number of degrees to use. Hidden features will have types [0, ..., num_degrees - 1] (default: `4`) +- `--num_channels`: Number of channels for the hidden features (default: `32`) + + +### Command-line options + +To show the full list of available options and their descriptions, use the `-h` or `--help` command-line option, for example: `python -m se3_transformer.runtime.training --help`. + + +### Dataset guidelines + +#### Demo dataset + +The SE(3)-Transformer was trained on the QM9 dataset. + +The QM9 dataset is hosted on DGL servers and downloaded (38MB) automatically when needed. By default, it is stored in the `./data` directory, but this location can be changed with the `--data_dir` argument. + +The dataset is saved as a `qm9_edge.npz` file and converted to DGL graphs at runtime. + +As input features, we use: +- Node features (6D): + - One-hot-encoded atom type (5D) (atom types: H, C, N, O, F) + - Number of protons of each atom (1D) +- Edge features: one-hot-encoded bond type (4D) (bond types: single, double, triple, aromatic) +- The relative positions between adjacent nodes (atoms) + +#### Custom datasets + +To use this network on a new dataset, you can extend the `DataModule` class present in `se3_transformer/data_loading/data_module.py`. + +Your custom collate function should return a tuple with: + +- A (batched) DGLGraph object +- A dictionary of node features ({‘{degree}’: tensor}) +- A dictionary of edge features ({‘{degree}’: tensor}) +- (Optional) Precomputed bases as a dictionary +- Labels as a tensor + +You can then modify the `training.py` and `inference.py` scripts to use your new data module. + +### Training process + +The training script is `se3_transformer/runtime/training.py`, to be run as a module: `python -m se3_transformer.runtime.training`. + +**Logs** + +By default, the resulting logs are stored in `/results/`. This can be changed with `--log_dir`. + +You can connect your existing Weights & Biases account by setting the `WANDB_API_KEY` environment variable. + +**Checkpoints** + +The argument `--save_ckpt_path` can be set to the path of the file where the checkpoints should be saved. +`--ckpt_interval` can also be set to the interval (in the number of epochs) between checkpoints. + +**Evaluation** + +The evaluation metric is the Mean Absolute Error (MAE). + +`--eval_interval` can be set to the interval (in the number of epochs) between evaluation rounds. By default, an evaluation round is performed after each epoch. + +**Automatic Mixed Precision** + +To enable Mixed Precision training, add the `--amp` flag. + +**Multi-GPU and multi-node** + +The training script supports the PyTorch elastic launcher to run on multiple GPUs or nodes. Refer to the [official documentation](https://pytorch.org/docs/1.9.0/elastic/run.html). + +For example, to train on all available GPUs with AMP: + +``` +python -m torch.distributed.run --nnodes=1 --nproc_per_node=gpu --module se3_transformer.runtime.training --amp +``` + + +### Inference process + +Inference can be run by using the `se3_transformer.runtime.inference` python module. + +The inference script is `se3_transformer/runtime/inference.py`, to be run as a module: `python -m se3_transformer.runtime.inference`. It requires a pre-trained model checkpoint (to be passed as `--load_ckpt_path`). + + +## Performance + +The performance measurements in this document were conducted at the time of publication and may not reflect the performance achieved from NVIDIA’s latest software release. For the most up-to-date performance measurements, go to [NVIDIA Data Center Deep Learning Product Performance](https://developer.nvidia.com/deep-learning-performance-training-inference). + +### Benchmarking + +The following section shows how to run benchmarks measuring the model performance in training and inference modes. + +#### Training performance benchmark + +To benchmark the training performance on a specific batch size, run `bash scripts/benchmarck_train.sh {BATCH_SIZE}` for single GPU, and `bash scripts/benchmarck_train_multi_gpu.sh {BATCH_SIZE}` for multi-GPU. + +#### Inference performance benchmark + +To benchmark the inference performance on a specific batch size, run `bash scripts/benchmarck_inference.sh {BATCH_SIZE}`. + +### Results + + +The following sections provide details on how we achieved our performance and accuracy in training and inference. + +#### Training accuracy results + +##### Training accuracy: NVIDIA DGX A100 (8x A100 80GB) + +Our results were obtained by running the `scripts/train.sh` training script in the PyTorch 21.07 NGC container on NVIDIA DGX A100 (8x A100 80GB) GPUs. + +| GPUs | Batch size / GPU | Absolute error - TF32 | Absolute error - mixed precision | Time to train - TF32 | Time to train - mixed precision | Time to train speedup (mixed precision to TF32) | +|:------------------:|:----------------------:|:--------------------:|:------------------------------------:|:---------------------------------:|:----------------------:|:----------------------------------------------:| +| 1 | 240 | 0.03456 | 0.03460 | 1h23min | 1h03min | 1.32x | +| 8 | 240 | 0.03417 | 0.03424 | 15min | 12min | 1.25x | + + +##### Training accuracy: NVIDIA DGX-1 (8x V100 16GB) + +Our results were obtained by running the `scripts/train.sh` training script in the PyTorch 21.07 NGC container on NVIDIA DGX-1 with (8x V100 16GB) GPUs. + +| GPUs | Batch size / GPU | Absolute error - FP32 | Absolute error - mixed precision | Time to train - FP32 | Time to train - mixed precision | Time to train speedup (mixed precision to FP32) | +|:------------------:|:----------------------:|:--------------------:|:------------------------------------:|:---------------------------------:|:----------------------:|:----------------------------------------------:| +| 1 | 240 | 0.03432 | 0.03439 | 2h25min | 1h33min | 1.56x | +| 8 | 240 | 0.03380 | 0.03495 | 29min | 20min | 1.45x | + + +#### Training performance results + +##### Training performance: NVIDIA DGX A100 (8x A100 80GB) + +Our results were obtained by running the `scripts/benchmark_train.sh` and `scripts/benchmark_train_multi_gpu.sh` benchmarking scripts in the PyTorch 21.07 NGC container on NVIDIA DGX A100 with 8x A100 80GB GPUs. Performance numbers (in molecules per millisecond) were averaged over five entire training epochs after a warmup epoch. + +| GPUs | Batch size / GPU | Throughput - TF32 [mol/ms] | Throughput - mixed precision [mol/ms] | Throughput speedup (mixed precision - TF32) | Weak scaling - TF32 | Weak scaling - mixed precision | +|:------------------:|:----------------------:|:--------------------:|:------------------------------------:|:---------------------------------:|:----------------------:|:----------------------------------------------:| +| 1 | 240 | 2.21 | 2.92 | 1.32x | | | +| 1 | 120 | 1.81 | 2.04 | 1.13x | | | +| 8 | 240 | 17.15 | 22.95 | 1.34x | 7.76 | 7.86 | +| 8 | 120 | 13.89 | 15.62 | 1.12x | 7.67 | 7.66 | + + +To achieve these same results, follow the steps in the [Quick Start Guide](#quick-start-guide). + + +##### Training performance: NVIDIA DGX-1 (8x V100 16GB) + +Our results were obtained by running the `scripts/benchmark_train.sh` and `scripts/benchmark_train_multi_gpu.sh` benchmarking scripts in the PyTorch 21.07 NGC container on NVIDIA DGX-1 with 8x V100 16GB GPUs. Performance numbers (in molecules per millisecond) were averaged over five entire training epochs after a warmup epoch. + +| GPUs | Batch size / GPU | Throughput - FP32 [mol/ms] | Throughput - mixed precision [mol/ms] | Throughput speedup (FP32 - mixed precision) | Weak scaling - FP32 | Weak scaling - mixed precision | +|:------------------:|:----------------------:|:--------------------:|:------------------------------------:|:---------------------------------:|:----------------------:|:----------------------------------------------:| +| 1 | 240 | 1.25 | 1.88 | 1.50x | | | +| 1 | 120 | 1.03 | 1.41 | 1.37x | | | +| 8 | 240 | 9.33 | 14.02 | 1.50x | 7.46 | 7.46 | +| 8 | 120 | 7.39 | 9.41 | 1.27x | 7.17 | 6.67 | + + +To achieve these same results, follow the steps in the [Quick Start Guide](#quick-start-guide). + + +#### Inference performance results + + +##### Inference performance: NVIDIA DGX A100 (1x A100 80GB) + +Our results were obtained by running the `scripts/benchmark_inference.sh` inferencing benchmarking script in the PyTorch 21.07 NGC container on NVIDIA DGX A100 with 1x A100 80GB GPU. + +FP16 + +| Batch size | Throughput Avg [mol/ms] | Latency Avg [ms] | Latency 90% [ms] |Latency 95% [ms] |Latency 99% [ms] | +|:------------:|:------:|:-----:|:-----:|:-----:|:-----:| +| 1600 | 11.60 | 140.94 | 138.29 | 140.12 | 386.40 | +| 800 | 10.74 | 75.69 | 75.74 | 76.50 | 79.77 | +| 400 | 8.86 | 45.57 | 46.11 | 46.60 | 49.97 | + +TF32 + +| Batch size | Throughput Avg [mol/ms] | Latency Avg [ms] | Latency 90% [ms] |Latency 95% [ms] |Latency 99% [ms] | +|:------------:|:------:|:-----:|:-----:|:-----:|:-----:| +| 1600 | 8.58 | 189.20 | 186.39 | 187.71 | 420.28 | +| 800 | 8.28 | 97.56 | 97.20 | 97.73 | 101.13 | +| 400 | 7.55 | 53.38 | 53.72 | 54.48 | 56.62 | + +To achieve these same results, follow the steps in the [Quick Start Guide](#quick-start-guide). + + + +##### Inference performance: NVIDIA DGX-1 (1x V100 16GB) + +Our results were obtained by running the `scripts/benchmark_inference.sh` inferencing benchmarking script in the PyTorch 21.07 NGC container on NVIDIA DGX-1 with 1x V100 16GB GPU. + +FP16 + +| Batch size | Throughput Avg [mol/ms] | Latency Avg [ms] | Latency 90% [ms] |Latency 95% [ms] |Latency 99% [ms] | +|:------------:|:------:|:-----:|:-----:|:-----:|:-----:| +| 1600 | 6.42 | 254.54 | 247.97 | 249.29 | 721.15 | +| 800 | 6.13 | 132.07 | 131.90 | 132.70 | 140.15 | +| 400 | 5.37 | 75.12 | 76.01 | 76.66 | 79.90 | + +FP32 + +| Batch size | Throughput Avg [mol/ms] | Latency Avg [ms] | Latency 90% [ms] |Latency 95% [ms] |Latency 99% [ms] | +|:------------:|:------:|:-----:|:-----:|:-----:|:-----:| +| 1600 | 3.39 | 475.86 | 473.82 | 475.64 | 891.18 | +| 800 | 3.36 | 239.17 | 240.64 | 241.65 | 243.70 | +| 400 | 3.17 | 126.67 | 128.19 | 128.82 | 130.54 | + + +To achieve these same results, follow the steps in the [Quick Start Guide](#quick-start-guide). + + +## Release notes + +### Changelog + +August 2021 +- Initial release + +### Known issues + +If you encounter `OSError: [Errno 12] Cannot allocate memory` during the Dataloader iterator creation (more precisely during the `fork()`, this is most likely due to the use of the `--precompute_bases` flag. If you cannot add more RAM or Swap to your machine, it is recommended to turn off bases precomputation by removing the `--precompute_bases` flag or using `--precompute_bases false`. diff --git a/RFdiffusion/env/SE3Transformer/build/lib/se3_transformer/__init__.py b/RFdiffusion/env/SE3Transformer/build/lib/se3_transformer/__init__.py new file mode 100644 index 0000000000000000000000000000000000000000..e69de29bb2d1d6434b8b29ae775ad8c2e48c5391 diff --git a/RFdiffusion/env/SE3Transformer/build/lib/se3_transformer/data_loading/__init__.py b/RFdiffusion/env/SE3Transformer/build/lib/se3_transformer/data_loading/__init__.py new file mode 100644 index 0000000000000000000000000000000000000000..67a9e0ed7b9c787830f1b99cc0132a14bbcaee43 --- /dev/null +++ b/RFdiffusion/env/SE3Transformer/build/lib/se3_transformer/data_loading/__init__.py @@ -0,0 +1 @@ +from .qm9 import QM9DataModule diff --git a/RFdiffusion/env/SE3Transformer/build/lib/se3_transformer/data_loading/data_module.py b/RFdiffusion/env/SE3Transformer/build/lib/se3_transformer/data_loading/data_module.py new file mode 100644 index 0000000000000000000000000000000000000000..1047d41d16b81c05e2f14130311b42ab5b36eb36 --- /dev/null +++ b/RFdiffusion/env/SE3Transformer/build/lib/se3_transformer/data_loading/data_module.py @@ -0,0 +1,63 @@ +# Copyright (c) 2021, NVIDIA CORPORATION & AFFILIATES. All rights reserved. +# +# Permission is hereby granted, free of charge, to any person obtaining a +# copy of this software and associated documentation files (the "Software"), +# to deal in the Software without restriction, including without limitation +# the rights to use, copy, modify, merge, publish, distribute, sublicense, +# and/or sell copies of the Software, and to permit persons to whom the +# Software is furnished to do so, subject to the following conditions: +# +# The above copyright notice and this permission notice shall be included in +# all copies or substantial portions of the Software. +# +# THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR +# IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, +# FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL +# THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER +# LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING +# FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER +# DEALINGS IN THE SOFTWARE. +# +# SPDX-FileCopyrightText: Copyright (c) 2021 NVIDIA CORPORATION & AFFILIATES +# SPDX-License-Identifier: MIT + +import torch.distributed as dist +from abc import ABC +from torch.utils.data import DataLoader, DistributedSampler, Dataset + +from se3_transformer.runtime.utils import get_local_rank + + +def _get_dataloader(dataset: Dataset, shuffle: bool, **kwargs) -> DataLoader: + # Classic or distributed dataloader depending on the context + sampler = DistributedSampler(dataset, shuffle=shuffle) if dist.is_initialized() else None + return DataLoader(dataset, shuffle=(shuffle and sampler is None), sampler=sampler, **kwargs) + + +class DataModule(ABC): + """ Abstract DataModule. Children must define self.ds_{train | val | test}. """ + + def __init__(self, **dataloader_kwargs): + super().__init__() + if get_local_rank() == 0: + self.prepare_data() + + # Wait until rank zero has prepared the data (download, preprocessing, ...) + if dist.is_initialized(): + dist.barrier(device_ids=[get_local_rank()]) + + self.dataloader_kwargs = {'pin_memory': True, 'persistent_workers': True, **dataloader_kwargs} + self.ds_train, self.ds_val, self.ds_test = None, None, None + + def prepare_data(self): + """ Method called only once per node. Put here any downloading or preprocessing """ + pass + + def train_dataloader(self) -> DataLoader: + return _get_dataloader(self.ds_train, shuffle=True, **self.dataloader_kwargs) + + def val_dataloader(self) -> DataLoader: + return _get_dataloader(self.ds_val, shuffle=False, **self.dataloader_kwargs) + + def test_dataloader(self) -> DataLoader: + return _get_dataloader(self.ds_test, shuffle=False, **self.dataloader_kwargs) diff --git a/RFdiffusion/env/SE3Transformer/build/lib/se3_transformer/data_loading/qm9.py b/RFdiffusion/env/SE3Transformer/build/lib/se3_transformer/data_loading/qm9.py new file mode 100644 index 0000000000000000000000000000000000000000..4cbc753e6e677cb83b9f43ee720940fb8d42d76a --- /dev/null +++ b/RFdiffusion/env/SE3Transformer/build/lib/se3_transformer/data_loading/qm9.py @@ -0,0 +1,173 @@ +# Copyright (c) 2021, NVIDIA CORPORATION & AFFILIATES. All rights reserved. +# +# Permission is hereby granted, free of charge, to any person obtaining a +# copy of this software and associated documentation files (the "Software"), +# to deal in the Software without restriction, including without limitation +# the rights to use, copy, modify, merge, publish, distribute, sublicense, +# and/or sell copies of the Software, and to permit persons to whom the +# Software is furnished to do so, subject to the following conditions: +# +# The above copyright notice and this permission notice shall be included in +# all copies or substantial portions of the Software. +# +# THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR +# IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, +# FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL +# THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER +# LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING +# FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER +# DEALINGS IN THE SOFTWARE. +# +# SPDX-FileCopyrightText: Copyright (c) 2021 NVIDIA CORPORATION & AFFILIATES +# SPDX-License-Identifier: MIT +from typing import Tuple + +import dgl +import pathlib +import torch +from dgl.data import QM9EdgeDataset +from dgl import DGLGraph +from torch import Tensor +from torch.utils.data import random_split, DataLoader, Dataset +from tqdm import tqdm + +from se3_transformer.data_loading.data_module import DataModule +from se3_transformer.model.basis import get_basis +from se3_transformer.runtime.utils import get_local_rank, str2bool, using_tensor_cores + + +def _get_relative_pos(qm9_graph: DGLGraph) -> Tensor: + x = qm9_graph.ndata['pos'] + src, dst = qm9_graph.edges() + rel_pos = x[dst] - x[src] + return rel_pos + + +def _get_split_sizes(full_dataset: Dataset) -> Tuple[int, int, int]: + len_full = len(full_dataset) + len_train = 100_000 + len_test = int(0.1 * len_full) + len_val = len_full - len_train - len_test + return len_train, len_val, len_test + + +class QM9DataModule(DataModule): + """ + Datamodule wrapping https://docs.dgl.ai/en/latest/api/python/dgl.data.html#qm9edge-dataset + Training set is 100k molecules. Test set is 10% of the dataset. Validation set is the rest. + This includes all the molecules from QM9 except the ones that are uncharacterized. + """ + + NODE_FEATURE_DIM = 6 + EDGE_FEATURE_DIM = 4 + + def __init__(self, + data_dir: pathlib.Path, + task: str = 'homo', + batch_size: int = 240, + num_workers: int = 8, + num_degrees: int = 4, + amp: bool = False, + precompute_bases: bool = False, + **kwargs): + self.data_dir = data_dir # This needs to be before __init__ so that prepare_data has access to it + super().__init__(batch_size=batch_size, num_workers=num_workers, collate_fn=self._collate) + self.amp = amp + self.task = task + self.batch_size = batch_size + self.num_degrees = num_degrees + + qm9_kwargs = dict(label_keys=[self.task], verbose=False, raw_dir=str(data_dir)) + if precompute_bases: + bases_kwargs = dict(max_degree=num_degrees - 1, use_pad_trick=using_tensor_cores(amp), amp=amp) + full_dataset = CachedBasesQM9EdgeDataset(bases_kwargs=bases_kwargs, batch_size=batch_size, + num_workers=num_workers, **qm9_kwargs) + else: + full_dataset = QM9EdgeDataset(**qm9_kwargs) + + self.ds_train, self.ds_val, self.ds_test = random_split(full_dataset, _get_split_sizes(full_dataset), + generator=torch.Generator().manual_seed(0)) + + train_targets = full_dataset.targets[self.ds_train.indices, full_dataset.label_keys[0]] + self.targets_mean = train_targets.mean() + self.targets_std = train_targets.std() + + def prepare_data(self): + # Download the QM9 preprocessed data + QM9EdgeDataset(verbose=True, raw_dir=str(self.data_dir)) + + def _collate(self, samples): + graphs, y, *bases = map(list, zip(*samples)) + batched_graph = dgl.batch(graphs) + edge_feats = {'0': batched_graph.edata['edge_attr'][..., None]} + batched_graph.edata['rel_pos'] = _get_relative_pos(batched_graph) + # get node features + node_feats = {'0': batched_graph.ndata['attr'][:, :6, None]} + targets = (torch.cat(y) - self.targets_mean) / self.targets_std + + if bases: + # collate bases + all_bases = { + key: torch.cat([b[key] for b in bases[0]], dim=0) + for key in bases[0][0].keys() + } + + return batched_graph, node_feats, edge_feats, all_bases, targets + else: + return batched_graph, node_feats, edge_feats, targets + + @staticmethod + def add_argparse_args(parent_parser): + parser = parent_parser.add_argument_group("QM9 dataset") + parser.add_argument('--task', type=str, default='homo', const='homo', nargs='?', + choices=['mu', 'alpha', 'homo', 'lumo', 'gap', 'r2', 'zpve', 'U0', 'U', 'H', 'G', 'Cv', + 'U0_atom', 'U_atom', 'H_atom', 'G_atom', 'A', 'B', 'C'], + help='Regression task to train on') + parser.add_argument('--precompute_bases', type=str2bool, nargs='?', const=True, default=False, + help='Precompute bases at the beginning of the script during dataset initialization,' + ' instead of computing them at the beginning of each forward pass.') + return parent_parser + + def __repr__(self): + return f'QM9({self.task})' + + +class CachedBasesQM9EdgeDataset(QM9EdgeDataset): + """ Dataset extending the QM9 dataset from DGL with precomputed (cached in RAM) pairwise bases """ + + def __init__(self, bases_kwargs: dict, batch_size: int, num_workers: int, *args, **kwargs): + """ + :param bases_kwargs: Arguments to feed the bases computation function + :param batch_size: Batch size to use when iterating over the dataset for computing bases + """ + self.bases_kwargs = bases_kwargs + self.batch_size = batch_size + self.bases = None + self.num_workers = num_workers + super().__init__(*args, **kwargs) + + def load(self): + super().load() + # Iterate through the dataset and compute bases (pairwise only) + # Potential improvement: use multi-GPU and gather + dataloader = DataLoader(self, shuffle=False, batch_size=self.batch_size, num_workers=self.num_workers, + collate_fn=lambda samples: dgl.batch([sample[0] for sample in samples])) + bases = [] + for i, graph in tqdm(enumerate(dataloader), total=len(dataloader), desc='Precomputing QM9 bases', + disable=get_local_rank() != 0): + rel_pos = _get_relative_pos(graph) + # Compute the bases with the GPU but convert the result to CPU to store in RAM + bases.append({k: v.cpu() for k, v in get_basis(rel_pos.cuda(), **self.bases_kwargs).items()}) + self.bases = bases # Assign at the end so that __getitem__ isn't confused + + def __getitem__(self, idx: int): + graph, label = super().__getitem__(idx) + + if self.bases: + bases_idx = idx // self.batch_size + bases_cumsum_idx = self.ne_cumsum[idx] - self.ne_cumsum[bases_idx * self.batch_size] + bases_cumsum_next_idx = self.ne_cumsum[idx + 1] - self.ne_cumsum[bases_idx * self.batch_size] + return graph, label, {key: basis[bases_cumsum_idx:bases_cumsum_next_idx] for key, basis in + self.bases[bases_idx].items()} + else: + return graph, label diff --git a/RFdiffusion/env/SE3Transformer/build/lib/se3_transformer/model/__init__.py b/RFdiffusion/env/SE3Transformer/build/lib/se3_transformer/model/__init__.py new file mode 100644 index 0000000000000000000000000000000000000000..628d01e98d45d360187fb7fcce63f33ebf05d3b7 --- /dev/null +++ b/RFdiffusion/env/SE3Transformer/build/lib/se3_transformer/model/__init__.py @@ -0,0 +1,2 @@ +from .transformer import SE3Transformer, SE3TransformerPooled +from .fiber import Fiber diff --git a/RFdiffusion/env/SE3Transformer/build/lib/se3_transformer/model/basis.py b/RFdiffusion/env/SE3Transformer/build/lib/se3_transformer/model/basis.py new file mode 100644 index 0000000000000000000000000000000000000000..74f04a0fada04ad63f9d9fc17f4fe7bb038d806b --- /dev/null +++ b/RFdiffusion/env/SE3Transformer/build/lib/se3_transformer/model/basis.py @@ -0,0 +1,178 @@ +# Copyright (c) 2021, NVIDIA CORPORATION & AFFILIATES. All rights reserved. +# +# Permission is hereby granted, free of charge, to any person obtaining a +# copy of this software and associated documentation files (the "Software"), +# to deal in the Software without restriction, including without limitation +# the rights to use, copy, modify, merge, publish, distribute, sublicense, +# and/or sell copies of the Software, and to permit persons to whom the +# Software is furnished to do so, subject to the following conditions: +# +# The above copyright notice and this permission notice shall be included in +# all copies or substantial portions of the Software. +# +# THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR +# IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, +# FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL +# THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER +# LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING +# FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER +# DEALINGS IN THE SOFTWARE. +# +# SPDX-FileCopyrightText: Copyright (c) 2021 NVIDIA CORPORATION & AFFILIATES +# SPDX-License-Identifier: MIT + + +from functools import lru_cache +from typing import Dict, List + +import e3nn.o3 as o3 +import torch +import torch.nn.functional as F +from torch import Tensor +from torch.cuda.nvtx import range as nvtx_range + +from se3_transformer.runtime.utils import degree_to_dim + + +@lru_cache(maxsize=None) +def get_clebsch_gordon(J: int, d_in: int, d_out: int, device) -> Tensor: + """ Get the (cached) Q^{d_out,d_in}_J matrices from equation (8) """ + return o3.wigner_3j(J, d_in, d_out, dtype=torch.float64, device=device).permute(2, 1, 0) + + +@lru_cache(maxsize=None) +def get_all_clebsch_gordon(max_degree: int, device) -> List[List[Tensor]]: + all_cb = [] + for d_in in range(max_degree + 1): + for d_out in range(max_degree + 1): + K_Js = [] + for J in range(abs(d_in - d_out), d_in + d_out + 1): + K_Js.append(get_clebsch_gordon(J, d_in, d_out, device)) + all_cb.append(K_Js) + return all_cb + + +def get_spherical_harmonics(relative_pos: Tensor, max_degree: int) -> List[Tensor]: + all_degrees = list(range(2 * max_degree + 1)) + with nvtx_range('spherical harmonics'): + sh = o3.spherical_harmonics(all_degrees, relative_pos, normalize=True) + return torch.split(sh, [degree_to_dim(d) for d in all_degrees], dim=1) + + +@torch.jit.script +def get_basis_script(max_degree: int, + use_pad_trick: bool, + spherical_harmonics: List[Tensor], + clebsch_gordon: List[List[Tensor]], + amp: bool) -> Dict[str, Tensor]: + """ + Compute pairwise bases matrices for degrees up to max_degree + :param max_degree: Maximum input or output degree + :param use_pad_trick: Pad some of the odd dimensions for a better use of Tensor Cores + :param spherical_harmonics: List of computed spherical harmonics + :param clebsch_gordon: List of computed CB-coefficients + :param amp: When true, return bases in FP16 precision + """ + basis = {} + idx = 0 + # Double for loop instead of product() because of JIT script + for d_in in range(max_degree + 1): + for d_out in range(max_degree + 1): + key = f'{d_in},{d_out}' + K_Js = [] + for freq_idx, J in enumerate(range(abs(d_in - d_out), d_in + d_out + 1)): + Q_J = clebsch_gordon[idx][freq_idx] + K_Js.append(torch.einsum('n f, k l f -> n l k', spherical_harmonics[J].float(), Q_J.float())) + + basis[key] = torch.stack(K_Js, 2) # Stack on second dim so order is n l f k + if amp: + basis[key] = basis[key].half() + if use_pad_trick: + basis[key] = F.pad(basis[key], (0, 1)) # Pad the k dimension, that can be sliced later + + idx += 1 + + return basis + + +@torch.jit.script +def update_basis_with_fused(basis: Dict[str, Tensor], + max_degree: int, + use_pad_trick: bool, + fully_fused: bool) -> Dict[str, Tensor]: + """ Update the basis dict with partially and optionally fully fused bases """ + num_edges = basis['0,0'].shape[0] + device = basis['0,0'].device + dtype = basis['0,0'].dtype + sum_dim = sum([degree_to_dim(d) for d in range(max_degree + 1)]) + + # Fused per output degree + for d_out in range(max_degree + 1): + sum_freq = sum([degree_to_dim(min(d, d_out)) for d in range(max_degree + 1)]) + basis_fused = torch.zeros(num_edges, sum_dim, sum_freq, degree_to_dim(d_out) + int(use_pad_trick), + device=device, dtype=dtype) + acc_d, acc_f = 0, 0 + for d_in in range(max_degree + 1): + basis_fused[:, acc_d:acc_d + degree_to_dim(d_in), acc_f:acc_f + degree_to_dim(min(d_out, d_in)), + :degree_to_dim(d_out)] = basis[f'{d_in},{d_out}'][:, :, :, :degree_to_dim(d_out)] + + acc_d += degree_to_dim(d_in) + acc_f += degree_to_dim(min(d_out, d_in)) + + basis[f'out{d_out}_fused'] = basis_fused + + # Fused per input degree + for d_in in range(max_degree + 1): + sum_freq = sum([degree_to_dim(min(d, d_in)) for d in range(max_degree + 1)]) + basis_fused = torch.zeros(num_edges, degree_to_dim(d_in), sum_freq, sum_dim, + device=device, dtype=dtype) + acc_d, acc_f = 0, 0 + for d_out in range(max_degree + 1): + basis_fused[:, :, acc_f:acc_f + degree_to_dim(min(d_out, d_in)), acc_d:acc_d + degree_to_dim(d_out)] \ + = basis[f'{d_in},{d_out}'][:, :, :, :degree_to_dim(d_out)] + + acc_d += degree_to_dim(d_out) + acc_f += degree_to_dim(min(d_out, d_in)) + + basis[f'in{d_in}_fused'] = basis_fused + + if fully_fused: + # Fully fused + # Double sum this way because of JIT script + sum_freq = sum([ + sum([degree_to_dim(min(d_in, d_out)) for d_in in range(max_degree + 1)]) for d_out in range(max_degree + 1) + ]) + basis_fused = torch.zeros(num_edges, sum_dim, sum_freq, sum_dim, device=device, dtype=dtype) + + acc_d, acc_f = 0, 0 + for d_out in range(max_degree + 1): + b = basis[f'out{d_out}_fused'] + basis_fused[:, :, acc_f:acc_f + b.shape[2], acc_d:acc_d + degree_to_dim(d_out)] = b[:, :, :, + :degree_to_dim(d_out)] + acc_f += b.shape[2] + acc_d += degree_to_dim(d_out) + + basis['fully_fused'] = basis_fused + + del basis['0,0'] # We know that the basis for l = k = 0 is filled with a constant + return basis + + +def get_basis(relative_pos: Tensor, + max_degree: int = 4, + compute_gradients: bool = False, + use_pad_trick: bool = False, + amp: bool = False) -> Dict[str, Tensor]: + with nvtx_range('spherical harmonics'): + spherical_harmonics = get_spherical_harmonics(relative_pos, max_degree) + with nvtx_range('CB coefficients'): + clebsch_gordon = get_all_clebsch_gordon(max_degree, relative_pos.device) + + with torch.autograd.set_grad_enabled(compute_gradients): + with nvtx_range('bases'): + basis = get_basis_script(max_degree=max_degree, + use_pad_trick=use_pad_trick, + spherical_harmonics=spherical_harmonics, + clebsch_gordon=clebsch_gordon, + amp=amp) + return basis diff --git a/RFdiffusion/env/SE3Transformer/build/lib/se3_transformer/model/fiber.py b/RFdiffusion/env/SE3Transformer/build/lib/se3_transformer/model/fiber.py new file mode 100644 index 0000000000000000000000000000000000000000..38db33b0d27d70116c92650176170e9b3cf9a9c7 --- /dev/null +++ b/RFdiffusion/env/SE3Transformer/build/lib/se3_transformer/model/fiber.py @@ -0,0 +1,144 @@ +# Copyright (c) 2021, NVIDIA CORPORATION & AFFILIATES. All rights reserved. +# +# Permission is hereby granted, free of charge, to any person obtaining a +# copy of this software and associated documentation files (the "Software"), +# to deal in the Software without restriction, including without limitation +# the rights to use, copy, modify, merge, publish, distribute, sublicense, +# and/or sell copies of the Software, and to permit persons to whom the +# Software is furnished to do so, subject to the following conditions: +# +# The above copyright notice and this permission notice shall be included in +# all copies or substantial portions of the Software. +# +# THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR +# IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, +# FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL +# THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER +# LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING +# FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER +# DEALINGS IN THE SOFTWARE. +# +# SPDX-FileCopyrightText: Copyright (c) 2021 NVIDIA CORPORATION & AFFILIATES +# SPDX-License-Identifier: MIT + + +from collections import namedtuple +from itertools import product +from typing import Dict + +import torch +from torch import Tensor + +from se3_transformer.runtime.utils import degree_to_dim + +FiberEl = namedtuple('FiberEl', ['degree', 'channels']) + + +class Fiber(dict): + """ + Describes the structure of some set of features. + Features are split into types (0, 1, 2, 3, ...). A feature of type k has a dimension of 2k+1. + Type-0 features: invariant scalars + Type-1 features: equivariant 3D vectors + Type-2 features: equivariant symmetric traceless matrices + ... + + As inputs to a SE3 layer, there can be many features of the same types, and many features of different types. + The 'multiplicity' or 'number of channels' is the number of features of a given type. + This class puts together all the degrees and their multiplicities in order to describe + the inputs, outputs or hidden features of SE3 layers. + """ + + def __init__(self, structure): + if isinstance(structure, dict): + structure = [FiberEl(int(d), int(m)) for d, m in sorted(structure.items(), key=lambda x: x[1])] + elif not isinstance(structure[0], FiberEl): + structure = list(map(lambda t: FiberEl(*t), sorted(structure, key=lambda x: x[1]))) + self.structure = structure + super().__init__({d: m for d, m in self.structure}) + + @property + def degrees(self): + return sorted([t.degree for t in self.structure]) + + @property + def channels(self): + return [self[d] for d in self.degrees] + + @property + def num_features(self): + """ Size of the resulting tensor if all features were concatenated together """ + return sum(t.channels * degree_to_dim(t.degree) for t in self.structure) + + @staticmethod + def create(num_degrees: int, num_channels: int): + """ Create a Fiber with degrees 0..num_degrees-1, all with the same multiplicity """ + return Fiber([(degree, num_channels) for degree in range(num_degrees)]) + + @staticmethod + def from_features(feats: Dict[str, Tensor]): + """ Infer the Fiber structure from a feature dict """ + structure = {} + for k, v in feats.items(): + degree = int(k) + assert len(v.shape) == 3, 'Feature shape should be (N, C, 2D+1)' + assert v.shape[-1] == degree_to_dim(degree) + structure[degree] = v.shape[-2] + return Fiber(structure) + + def __getitem__(self, degree: int): + """ fiber[degree] returns the multiplicity for this degree """ + return dict(self.structure).get(degree, 0) + + def __iter__(self): + """ Iterate over namedtuples (degree, channels) """ + return iter(self.structure) + + def __mul__(self, other): + """ + If other in an int, multiplies all the multiplicities by other. + If other is a fiber, returns the cartesian product. + """ + if isinstance(other, Fiber): + return product(self.structure, other.structure) + elif isinstance(other, int): + return Fiber({t.degree: t.channels * other for t in self.structure}) + + def __add__(self, other): + """ + If other in an int, add other to all the multiplicities. + If other is a fiber, add the multiplicities of the fibers together. + """ + if isinstance(other, Fiber): + return Fiber({t.degree: t.channels + other[t.degree] for t in self.structure}) + elif isinstance(other, int): + return Fiber({t.degree: t.channels + other for t in self.structure}) + + def __repr__(self): + return str(self.structure) + + @staticmethod + def combine_max(f1, f2): + """ Combine two fiber by taking the maximum multiplicity for each degree in both fibers """ + new_dict = dict(f1.structure) + for k, m in f2.structure: + new_dict[k] = max(new_dict.get(k, 0), m) + + return Fiber(list(new_dict.items())) + + @staticmethod + def combine_selectively(f1, f2): + """ Combine two fiber by taking the sum of multiplicities for each degree in the first fiber """ + # only use orders which occur in fiber f1 + new_dict = dict(f1.structure) + for k in f1.degrees: + if k in f2.degrees: + new_dict[k] += f2[k] + return Fiber(list(new_dict.items())) + + def to_attention_heads(self, tensors: Dict[str, Tensor], num_heads: int): + # dict(N, num_channels, 2d+1) -> (N, num_heads, -1) + fibers = [tensors[str(degree)].reshape(*tensors[str(degree)].shape[:-2], num_heads, -1) for degree in + self.degrees] + fibers = torch.cat(fibers, -1) + return fibers diff --git a/RFdiffusion/env/SE3Transformer/build/lib/se3_transformer/model/layers/__init__.py b/RFdiffusion/env/SE3Transformer/build/lib/se3_transformer/model/layers/__init__.py new file mode 100644 index 0000000000000000000000000000000000000000..9eb9e3ced5ef94e9a5c5be5883cc14ebaabe31f1 --- /dev/null +++ b/RFdiffusion/env/SE3Transformer/build/lib/se3_transformer/model/layers/__init__.py @@ -0,0 +1,5 @@ +from .linear import LinearSE3 +from .norm import NormSE3 +from .pooling import GPooling +from .convolution import ConvSE3 +from .attention import AttentionBlockSE3 \ No newline at end of file diff --git a/RFdiffusion/env/SE3Transformer/build/lib/se3_transformer/model/layers/attention.py b/RFdiffusion/env/SE3Transformer/build/lib/se3_transformer/model/layers/attention.py new file mode 100644 index 0000000000000000000000000000000000000000..091525e976bb287e9ee9da8c6e387720ed2bc024 --- /dev/null +++ b/RFdiffusion/env/SE3Transformer/build/lib/se3_transformer/model/layers/attention.py @@ -0,0 +1,180 @@ +# Copyright (c) 2021, NVIDIA CORPORATION & AFFILIATES. All rights reserved. +# +# Permission is hereby granted, free of charge, to any person obtaining a +# copy of this software and associated documentation files (the "Software"), +# to deal in the Software without restriction, including without limitation +# the rights to use, copy, modify, merge, publish, distribute, sublicense, +# and/or sell copies of the Software, and to permit persons to whom the +# Software is furnished to do so, subject to the following conditions: +# +# The above copyright notice and this permission notice shall be included in +# all copies or substantial portions of the Software. +# +# THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR +# IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, +# FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL +# THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER +# LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING +# FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER +# DEALINGS IN THE SOFTWARE. +# +# SPDX-FileCopyrightText: Copyright (c) 2021 NVIDIA CORPORATION & AFFILIATES +# SPDX-License-Identifier: MIT + +import dgl +import numpy as np +import torch +import torch.nn as nn +from dgl import DGLGraph +from dgl.ops import edge_softmax +from torch import Tensor +from typing import Dict, Optional, Union + +from se3_transformer.model.fiber import Fiber +from se3_transformer.model.layers.convolution import ConvSE3, ConvSE3FuseLevel +from se3_transformer.model.layers.linear import LinearSE3 +from se3_transformer.runtime.utils import degree_to_dim, aggregate_residual, unfuse_features +from torch.cuda.nvtx import range as nvtx_range + + +class AttentionSE3(nn.Module): + """ Multi-headed sparse graph self-attention (SE(3)-equivariant) """ + + def __init__( + self, + num_heads: int, + key_fiber: Fiber, + value_fiber: Fiber + ): + """ + :param num_heads: Number of attention heads + :param key_fiber: Fiber for the keys (and also for the queries) + :param value_fiber: Fiber for the values + """ + super().__init__() + self.num_heads = num_heads + self.key_fiber = key_fiber + self.value_fiber = value_fiber + + def forward( + self, + value: Union[Tensor, Dict[str, Tensor]], # edge features (may be fused) + key: Union[Tensor, Dict[str, Tensor]], # edge features (may be fused) + query: Dict[str, Tensor], # node features + graph: DGLGraph + ): + with nvtx_range('AttentionSE3'): + with nvtx_range('reshape keys and queries'): + if isinstance(key, Tensor): + # case where features of all types are fused + key = key.reshape(key.shape[0], self.num_heads, -1) + # need to reshape queries that way to keep the same layout as keys + out = torch.cat([query[str(d)] for d in self.key_fiber.degrees], dim=-1) + query = out.reshape(list(query.values())[0].shape[0], self.num_heads, -1) + else: + # features are not fused, need to fuse and reshape them + key = self.key_fiber.to_attention_heads(key, self.num_heads) + query = self.key_fiber.to_attention_heads(query, self.num_heads) + + with nvtx_range('attention dot product + softmax'): + # Compute attention weights (softmax of inner product between key and query) + edge_weights = dgl.ops.e_dot_v(graph, key, query).squeeze(-1) + edge_weights /= np.sqrt(self.key_fiber.num_features) + edge_weights = edge_softmax(graph, edge_weights) + edge_weights = edge_weights[..., None, None] + + with nvtx_range('weighted sum'): + if isinstance(value, Tensor): + # features of all types are fused + v = value.view(value.shape[0], self.num_heads, -1, value.shape[-1]) + weights = edge_weights * v + feat_out = dgl.ops.copy_e_sum(graph, weights) + feat_out = feat_out.view(feat_out.shape[0], -1, feat_out.shape[-1]) # merge heads + out = unfuse_features(feat_out, self.value_fiber.degrees) + else: + out = {} + for degree, channels in self.value_fiber: + v = value[str(degree)].view(-1, self.num_heads, channels // self.num_heads, + degree_to_dim(degree)) + weights = edge_weights * v + res = dgl.ops.copy_e_sum(graph, weights) + out[str(degree)] = res.view(-1, channels, degree_to_dim(degree)) # merge heads + + return out + + +class AttentionBlockSE3(nn.Module): + """ Multi-headed sparse graph self-attention block with skip connection, linear projection (SE(3)-equivariant) """ + + def __init__( + self, + fiber_in: Fiber, + fiber_out: Fiber, + fiber_edge: Optional[Fiber] = None, + num_heads: int = 4, + channels_div: int = 2, + use_layer_norm: bool = False, + max_degree: bool = 4, + fuse_level: ConvSE3FuseLevel = ConvSE3FuseLevel.FULL, + **kwargs + ): + """ + :param fiber_in: Fiber describing the input features + :param fiber_out: Fiber describing the output features + :param fiber_edge: Fiber describing the edge features (node distances excluded) + :param num_heads: Number of attention heads + :param channels_div: Divide the channels by this integer for computing values + :param use_layer_norm: Apply layer normalization between MLP layers + :param max_degree: Maximum degree used in the bases computation + :param fuse_level: Maximum fuse level to use in TFN convolutions + """ + super().__init__() + if fiber_edge is None: + fiber_edge = Fiber({}) + self.fiber_in = fiber_in + # value_fiber has same structure as fiber_out but #channels divided by 'channels_div' + value_fiber = Fiber([(degree, channels // channels_div) for degree, channels in fiber_out]) + # key_query_fiber has the same structure as fiber_out, but only degrees which are in in_fiber + # (queries are merely projected, hence degrees have to match input) + key_query_fiber = Fiber([(fe.degree, fe.channels) for fe in value_fiber if fe.degree in fiber_in.degrees]) + + self.to_key_value = ConvSE3(fiber_in, value_fiber + key_query_fiber, pool=False, fiber_edge=fiber_edge, + use_layer_norm=use_layer_norm, max_degree=max_degree, fuse_level=fuse_level, + allow_fused_output=True) + self.to_query = LinearSE3(fiber_in, key_query_fiber) + self.attention = AttentionSE3(num_heads, key_query_fiber, value_fiber) + self.project = LinearSE3(value_fiber + fiber_in, fiber_out) + + def forward( + self, + node_features: Dict[str, Tensor], + edge_features: Dict[str, Tensor], + graph: DGLGraph, + basis: Dict[str, Tensor] + ): + with nvtx_range('AttentionBlockSE3'): + with nvtx_range('keys / values'): + fused_key_value = self.to_key_value(node_features, edge_features, graph, basis) + key, value = self._get_key_value_from_fused(fused_key_value) + + with nvtx_range('queries'): + query = self.to_query(node_features) + + z = self.attention(value, key, query, graph) + z_concat = aggregate_residual(node_features, z, 'cat') + return self.project(z_concat) + + def _get_key_value_from_fused(self, fused_key_value): + # Extract keys and queries features from fused features + if isinstance(fused_key_value, Tensor): + # Previous layer was a fully fused convolution + value, key = torch.chunk(fused_key_value, chunks=2, dim=-2) + else: + key, value = {}, {} + for degree, feat in fused_key_value.items(): + if int(degree) in self.fiber_in.degrees: + value[degree], key[degree] = torch.chunk(feat, chunks=2, dim=-2) + else: + value[degree] = feat + + return key, value diff --git a/RFdiffusion/env/SE3Transformer/build/lib/se3_transformer/model/layers/convolution.py b/RFdiffusion/env/SE3Transformer/build/lib/se3_transformer/model/layers/convolution.py new file mode 100644 index 0000000000000000000000000000000000000000..c3de01534433674d26f67e8954b2f5e22869a122 --- /dev/null +++ b/RFdiffusion/env/SE3Transformer/build/lib/se3_transformer/model/layers/convolution.py @@ -0,0 +1,336 @@ +# Copyright (c) 2021, NVIDIA CORPORATION & AFFILIATES. All rights reserved. +# +# Permission is hereby granted, free of charge, to any person obtaining a +# copy of this software and associated documentation files (the "Software"), +# to deal in the Software without restriction, including without limitation +# the rights to use, copy, modify, merge, publish, distribute, sublicense, +# and/or sell copies of the Software, and to permit persons to whom the +# Software is furnished to do so, subject to the following conditions: +# +# The above copyright notice and this permission notice shall be included in +# all copies or substantial portions of the Software. +# +# THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR +# IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, +# FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL +# THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER +# LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING +# FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER +# DEALINGS IN THE SOFTWARE. +# +# SPDX-FileCopyrightText: Copyright (c) 2021 NVIDIA CORPORATION & AFFILIATES +# SPDX-License-Identifier: MIT + +from enum import Enum +from itertools import product +from typing import Dict + +import dgl +import numpy as np +import torch +import torch.nn as nn +from dgl import DGLGraph +from torch import Tensor +from torch.cuda.nvtx import range as nvtx_range + +from se3_transformer.model.fiber import Fiber +from se3_transformer.runtime.utils import degree_to_dim, unfuse_features + + +class ConvSE3FuseLevel(Enum): + """ + Enum to select a maximum level of fusing optimizations that will be applied when certain conditions are met. + If a desired level L is picked and the level L cannot be applied to a level, other fused ops < L are considered. + A higher level means faster training, but also more memory usage. + If you are tight on memory and want to feed large inputs to the network, choose a low value. + If you want to train fast, choose a high value. + Recommended value is FULL with AMP. + + Fully fused TFN convolutions requirements: + - all input channels are the same + - all output channels are the same + - input degrees span the range [0, ..., max_degree] + - output degrees span the range [0, ..., max_degree] + + Partially fused TFN convolutions requirements: + * For fusing by output degree: + - all input channels are the same + - input degrees span the range [0, ..., max_degree] + * For fusing by input degree: + - all output channels are the same + - output degrees span the range [0, ..., max_degree] + + Original TFN pairwise convolutions: no requirements + """ + + FULL = 2 + PARTIAL = 1 + NONE = 0 + + +class RadialProfile(nn.Module): + """ + Radial profile function. + Outputs weights used to weigh basis matrices in order to get convolution kernels. + In TFN notation: $R^{l,k}$ + In SE(3)-Transformer notation: $\phi^{l,k}$ + + Note: + In the original papers, this function only depends on relative node distances ||x||. + Here, we allow this function to also take as input additional invariant edge features. + This does not break equivariance and adds expressive power to the model. + + Diagram: + invariant edge features (node distances included) ───> MLP layer (shared across edges) ───> radial weights + """ + + def __init__( + self, + num_freq: int, + channels_in: int, + channels_out: int, + edge_dim: int = 1, + mid_dim: int = 32, + use_layer_norm: bool = False + ): + """ + :param num_freq: Number of frequencies + :param channels_in: Number of input channels + :param channels_out: Number of output channels + :param edge_dim: Number of invariant edge features (input to the radial function) + :param mid_dim: Size of the hidden MLP layers + :param use_layer_norm: Apply layer normalization between MLP layers + """ + super().__init__() + modules = [ + nn.Linear(edge_dim, mid_dim), + nn.LayerNorm(mid_dim) if use_layer_norm else None, + nn.ReLU(), + nn.Linear(mid_dim, mid_dim), + nn.LayerNorm(mid_dim) if use_layer_norm else None, + nn.ReLU(), + nn.Linear(mid_dim, num_freq * channels_in * channels_out, bias=False) + ] + + self.net = nn.Sequential(*[m for m in modules if m is not None]) + + def forward(self, features: Tensor) -> Tensor: + return self.net(features) + + +class VersatileConvSE3(nn.Module): + """ + Building block for TFN convolutions. + This single module can be used for fully fused convolutions, partially fused convolutions, or pairwise convolutions. + """ + + def __init__(self, + freq_sum: int, + channels_in: int, + channels_out: int, + edge_dim: int, + use_layer_norm: bool, + fuse_level: ConvSE3FuseLevel): + super().__init__() + self.freq_sum = freq_sum + self.channels_out = channels_out + self.channels_in = channels_in + self.fuse_level = fuse_level + self.radial_func = RadialProfile(num_freq=freq_sum, + channels_in=channels_in, + channels_out=channels_out, + edge_dim=edge_dim, + use_layer_norm=use_layer_norm) + + def forward(self, features: Tensor, invariant_edge_feats: Tensor, basis: Tensor): + with nvtx_range(f'VersatileConvSE3'): + num_edges = features.shape[0] + in_dim = features.shape[2] + with nvtx_range(f'RadialProfile'): + radial_weights = self.radial_func(invariant_edge_feats) \ + .view(-1, self.channels_out, self.channels_in * self.freq_sum) + + if basis is not None: + # This block performs the einsum n i l, n o i f, n l f k -> n o k + out_dim = basis.shape[-1] + if self.fuse_level != ConvSE3FuseLevel.FULL: + out_dim += out_dim % 2 - 1 # Account for padded basis + basis_view = basis.view(num_edges, in_dim, -1) + tmp = (features @ basis_view).view(num_edges, -1, basis.shape[-1]) + return (radial_weights @ tmp)[:, :, :out_dim] + else: + # k = l = 0 non-fused case + return radial_weights @ features + + +class ConvSE3(nn.Module): + """ + SE(3)-equivariant graph convolution (Tensor Field Network convolution). + This convolution can map an arbitrary input Fiber to an arbitrary output Fiber, while preserving equivariance. + Features of different degrees interact together to produce output features. + + Note 1: + The option is given to not pool the output. This means that the convolution sum over neighbors will not be + done, and the returned features will be edge features instead of node features. + + Note 2: + Unlike the original paper and implementation, this convolution can handle edge feature of degree greater than 0. + Input edge features are concatenated with input source node features before the kernel is applied. + """ + + def __init__( + self, + fiber_in: Fiber, + fiber_out: Fiber, + fiber_edge: Fiber, + pool: bool = True, + use_layer_norm: bool = False, + self_interaction: bool = False, + max_degree: int = 4, + fuse_level: ConvSE3FuseLevel = ConvSE3FuseLevel.FULL, + allow_fused_output: bool = False + ): + """ + :param fiber_in: Fiber describing the input features + :param fiber_out: Fiber describing the output features + :param fiber_edge: Fiber describing the edge features (node distances excluded) + :param pool: If True, compute final node features by averaging incoming edge features + :param use_layer_norm: Apply layer normalization between MLP layers + :param self_interaction: Apply self-interaction of nodes + :param max_degree: Maximum degree used in the bases computation + :param fuse_level: Maximum fuse level to use in TFN convolutions + :param allow_fused_output: Allow the module to output a fused representation of features + """ + super().__init__() + self.pool = pool + self.fiber_in = fiber_in + self.fiber_out = fiber_out + self.self_interaction = self_interaction + self.max_degree = max_degree + self.allow_fused_output = allow_fused_output + + # channels_in: account for the concatenation of edge features + channels_in_set = set([f.channels + fiber_edge[f.degree] * (f.degree > 0) for f in self.fiber_in]) + channels_out_set = set([f.channels for f in self.fiber_out]) + unique_channels_in = (len(channels_in_set) == 1) + unique_channels_out = (len(channels_out_set) == 1) + degrees_up_to_max = list(range(max_degree + 1)) + common_args = dict(edge_dim=fiber_edge[0] + 1, use_layer_norm=use_layer_norm) + + if fuse_level.value >= ConvSE3FuseLevel.FULL.value and \ + unique_channels_in and fiber_in.degrees == degrees_up_to_max and \ + unique_channels_out and fiber_out.degrees == degrees_up_to_max: + # Single fused convolution + self.used_fuse_level = ConvSE3FuseLevel.FULL + + sum_freq = sum([ + degree_to_dim(min(d_in, d_out)) + for d_in, d_out in product(degrees_up_to_max, degrees_up_to_max) + ]) + + self.conv = VersatileConvSE3(sum_freq, list(channels_in_set)[0], list(channels_out_set)[0], + fuse_level=self.used_fuse_level, **common_args) + + elif fuse_level.value >= ConvSE3FuseLevel.PARTIAL.value and \ + unique_channels_in and fiber_in.degrees == degrees_up_to_max: + # Convolutions fused per output degree + self.used_fuse_level = ConvSE3FuseLevel.PARTIAL + self.conv_out = nn.ModuleDict() + for d_out, c_out in fiber_out: + sum_freq = sum([degree_to_dim(min(d_out, d)) for d in fiber_in.degrees]) + self.conv_out[str(d_out)] = VersatileConvSE3(sum_freq, list(channels_in_set)[0], c_out, + fuse_level=self.used_fuse_level, **common_args) + + elif fuse_level.value >= ConvSE3FuseLevel.PARTIAL.value and \ + unique_channels_out and fiber_out.degrees == degrees_up_to_max: + # Convolutions fused per input degree + self.used_fuse_level = ConvSE3FuseLevel.PARTIAL + self.conv_in = nn.ModuleDict() + for d_in, c_in in fiber_in: + sum_freq = sum([degree_to_dim(min(d_in, d)) for d in fiber_out.degrees]) + self.conv_in[str(d_in)] = VersatileConvSE3(sum_freq, c_in, list(channels_out_set)[0], + fuse_level=ConvSE3FuseLevel.FULL, **common_args) + #fuse_level=self.used_fuse_level, **common_args) + else: + # Use pairwise TFN convolutions + self.used_fuse_level = ConvSE3FuseLevel.NONE + self.conv = nn.ModuleDict() + for (degree_in, channels_in), (degree_out, channels_out) in (self.fiber_in * self.fiber_out): + dict_key = f'{degree_in},{degree_out}' + channels_in_new = channels_in + fiber_edge[degree_in] * (degree_in > 0) + sum_freq = degree_to_dim(min(degree_in, degree_out)) + self.conv[dict_key] = VersatileConvSE3(sum_freq, channels_in_new, channels_out, + fuse_level=self.used_fuse_level, **common_args) + + if self_interaction: + self.to_kernel_self = nn.ParameterDict() + for degree_out, channels_out in fiber_out: + if fiber_in[degree_out]: + self.to_kernel_self[str(degree_out)] = nn.Parameter( + torch.randn(channels_out, fiber_in[degree_out]) / np.sqrt(fiber_in[degree_out])) + + def forward( + self, + node_feats: Dict[str, Tensor], + edge_feats: Dict[str, Tensor], + graph: DGLGraph, + basis: Dict[str, Tensor] + ): + with nvtx_range(f'ConvSE3'): + invariant_edge_feats = edge_feats['0'].squeeze(-1) + src, dst = graph.edges() + out = {} + in_features = [] + + # Fetch all input features from edge and node features + for degree_in in self.fiber_in.degrees: + src_node_features = node_feats[str(degree_in)][src] + if degree_in > 0 and str(degree_in) in edge_feats: + # Handle edge features of any type by concatenating them to node features + src_node_features = torch.cat([src_node_features, edge_feats[str(degree_in)]], dim=1) + in_features.append(src_node_features) + + if self.used_fuse_level == ConvSE3FuseLevel.FULL: + in_features_fused = torch.cat(in_features, dim=-1) + out = self.conv(in_features_fused, invariant_edge_feats, basis['fully_fused']) + + if not self.allow_fused_output or self.self_interaction or self.pool: + out = unfuse_features(out, self.fiber_out.degrees) + + elif self.used_fuse_level == ConvSE3FuseLevel.PARTIAL and hasattr(self, 'conv_out'): + in_features_fused = torch.cat(in_features, dim=-1) + for degree_out in self.fiber_out.degrees: + out[str(degree_out)] = self.conv_out[str(degree_out)](in_features_fused, invariant_edge_feats, + basis[f'out{degree_out}_fused']) + + elif self.used_fuse_level == ConvSE3FuseLevel.PARTIAL and hasattr(self, 'conv_in'): + out = 0 + for degree_in, feature in zip(self.fiber_in.degrees, in_features): + out += self.conv_in[str(degree_in)](feature, invariant_edge_feats, + basis[f'in{degree_in}_fused']) + if not self.allow_fused_output or self.self_interaction or self.pool: + out = unfuse_features(out, self.fiber_out.degrees) + else: + # Fallback to pairwise TFN convolutions + for degree_out in self.fiber_out.degrees: + out_feature = 0 + for degree_in, feature in zip(self.fiber_in.degrees, in_features): + dict_key = f'{degree_in},{degree_out}' + out_feature = out_feature + self.conv[dict_key](feature, invariant_edge_feats, + basis.get(dict_key, None)) + out[str(degree_out)] = out_feature + + for degree_out in self.fiber_out.degrees: + if self.self_interaction and str(degree_out) in self.to_kernel_self: + with nvtx_range(f'self interaction'): + dst_features = node_feats[str(degree_out)][dst] + kernel_self = self.to_kernel_self[str(degree_out)] + out[str(degree_out)] += kernel_self @ dst_features + + if self.pool: + with nvtx_range(f'pooling'): + if isinstance(out, dict): + out[str(degree_out)] = dgl.ops.copy_e_sum(graph, out[str(degree_out)]) + else: + out = dgl.ops.copy_e_sum(graph, out) + return out diff --git a/RFdiffusion/env/SE3Transformer/build/lib/se3_transformer/model/layers/linear.py b/RFdiffusion/env/SE3Transformer/build/lib/se3_transformer/model/layers/linear.py new file mode 100644 index 0000000000000000000000000000000000000000..f720d77ecc540423a6a6545f9e50c117ad1c08db --- /dev/null +++ b/RFdiffusion/env/SE3Transformer/build/lib/se3_transformer/model/layers/linear.py @@ -0,0 +1,59 @@ +# Copyright (c) 2021, NVIDIA CORPORATION & AFFILIATES. All rights reserved. +# +# Permission is hereby granted, free of charge, to any person obtaining a +# copy of this software and associated documentation files (the "Software"), +# to deal in the Software without restriction, including without limitation +# the rights to use, copy, modify, merge, publish, distribute, sublicense, +# and/or sell copies of the Software, and to permit persons to whom the +# Software is furnished to do so, subject to the following conditions: +# +# The above copyright notice and this permission notice shall be included in +# all copies or substantial portions of the Software. +# +# THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR +# IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, +# FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL +# THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER +# LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING +# FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER +# DEALINGS IN THE SOFTWARE. +# +# SPDX-FileCopyrightText: Copyright (c) 2021 NVIDIA CORPORATION & AFFILIATES +# SPDX-License-Identifier: MIT + + +from typing import Dict + +import numpy as np +import torch +import torch.nn as nn +from torch import Tensor + +from se3_transformer.model.fiber import Fiber + + +class LinearSE3(nn.Module): + """ + Graph Linear SE(3)-equivariant layer, equivalent to a 1x1 convolution. + Maps a fiber to a fiber with the same degrees (channels may be different). + No interaction between degrees, but interaction between channels. + + type-0 features (C_0 channels) ────> Linear(bias=False) ────> type-0 features (C'_0 channels) + type-1 features (C_1 channels) ────> Linear(bias=False) ────> type-1 features (C'_1 channels) + : + type-k features (C_k channels) ────> Linear(bias=False) ────> type-k features (C'_k channels) + """ + + def __init__(self, fiber_in: Fiber, fiber_out: Fiber): + super().__init__() + self.weights = nn.ParameterDict({ + str(degree_out): nn.Parameter( + torch.randn(channels_out, fiber_in[degree_out]) / np.sqrt(fiber_in[degree_out])) + for degree_out, channels_out in fiber_out + }) + + def forward(self, features: Dict[str, Tensor], *args, **kwargs) -> Dict[str, Tensor]: + return { + degree: self.weights[degree] @ features[degree] + for degree, weight in self.weights.items() + } diff --git a/RFdiffusion/env/SE3Transformer/build/lib/se3_transformer/model/layers/norm.py b/RFdiffusion/env/SE3Transformer/build/lib/se3_transformer/model/layers/norm.py new file mode 100644 index 0000000000000000000000000000000000000000..acbe23d774d50c26e22a60336a3d05b66a164eb3 --- /dev/null +++ b/RFdiffusion/env/SE3Transformer/build/lib/se3_transformer/model/layers/norm.py @@ -0,0 +1,83 @@ +# Copyright (c) 2021, NVIDIA CORPORATION & AFFILIATES. All rights reserved. +# +# Permission is hereby granted, free of charge, to any person obtaining a +# copy of this software and associated documentation files (the "Software"), +# to deal in the Software without restriction, including without limitation +# the rights to use, copy, modify, merge, publish, distribute, sublicense, +# and/or sell copies of the Software, and to permit persons to whom the +# Software is furnished to do so, subject to the following conditions: +# +# The above copyright notice and this permission notice shall be included in +# all copies or substantial portions of the Software. +# +# THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR +# IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, +# FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL +# THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER +# LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING +# FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER +# DEALINGS IN THE SOFTWARE. +# +# SPDX-FileCopyrightText: Copyright (c) 2021 NVIDIA CORPORATION & AFFILIATES +# SPDX-License-Identifier: MIT + + +from typing import Dict + +import torch +import torch.nn as nn +from torch import Tensor +from torch.cuda.nvtx import range as nvtx_range + +from se3_transformer.model.fiber import Fiber + + +class NormSE3(nn.Module): + """ + Norm-based SE(3)-equivariant nonlinearity. + + ┌──> feature_norm ──> LayerNorm() ──> ReLU() ──┐ + feature_in ──┤ * ──> feature_out + └──> feature_phase ────────────────────────────┘ + """ + + NORM_CLAMP = 2 ** -24 # Minimum positive subnormal for FP16 + + def __init__(self, fiber: Fiber, nonlinearity: nn.Module = nn.ReLU()): + super().__init__() + self.fiber = fiber + self.nonlinearity = nonlinearity + + if len(set(fiber.channels)) == 1: + # Fuse all the layer normalizations into a group normalization + self.group_norm = nn.GroupNorm(num_groups=len(fiber.degrees), num_channels=sum(fiber.channels)) + else: + # Use multiple layer normalizations + self.layer_norms = nn.ModuleDict({ + str(degree): nn.LayerNorm(channels) + for degree, channels in fiber + }) + + def forward(self, features: Dict[str, Tensor], *args, **kwargs) -> Dict[str, Tensor]: + with nvtx_range('NormSE3'): + output = {} + if hasattr(self, 'group_norm'): + # Compute per-degree norms of features + norms = [features[str(d)].norm(dim=-1, keepdim=True).clamp(min=self.NORM_CLAMP) + for d in self.fiber.degrees] + fused_norms = torch.cat(norms, dim=-2) + + # Transform the norms only + new_norms = self.nonlinearity(self.group_norm(fused_norms.squeeze(-1))).unsqueeze(-1) + new_norms = torch.chunk(new_norms, chunks=len(self.fiber.degrees), dim=-2) + + # Scale features to the new norms + for norm, new_norm, d in zip(norms, new_norms, self.fiber.degrees): + output[str(d)] = features[str(d)] / norm * new_norm + else: + for degree, feat in features.items(): + norm = feat.norm(dim=-1, keepdim=True).clamp(min=self.NORM_CLAMP) + new_norm = self.nonlinearity(self.layer_norms[degree](norm.squeeze(-1)).unsqueeze(-1)) + output[degree] = new_norm * feat / norm + + return output diff --git a/RFdiffusion/env/SE3Transformer/build/lib/se3_transformer/model/layers/pooling.py b/RFdiffusion/env/SE3Transformer/build/lib/se3_transformer/model/layers/pooling.py new file mode 100644 index 0000000000000000000000000000000000000000..e42c5383ba3239e3d93c928fa83a61a9e19b9437 --- /dev/null +++ b/RFdiffusion/env/SE3Transformer/build/lib/se3_transformer/model/layers/pooling.py @@ -0,0 +1,53 @@ +# Copyright (c) 2021, NVIDIA CORPORATION & AFFILIATES. All rights reserved. +# +# Permission is hereby granted, free of charge, to any person obtaining a +# copy of this software and associated documentation files (the "Software"), +# to deal in the Software without restriction, including without limitation +# the rights to use, copy, modify, merge, publish, distribute, sublicense, +# and/or sell copies of the Software, and to permit persons to whom the +# Software is furnished to do so, subject to the following conditions: +# +# The above copyright notice and this permission notice shall be included in +# all copies or substantial portions of the Software. +# +# THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR +# IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, +# FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL +# THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER +# LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING +# FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER +# DEALINGS IN THE SOFTWARE. +# +# SPDX-FileCopyrightText: Copyright (c) 2021 NVIDIA CORPORATION & AFFILIATES +# SPDX-License-Identifier: MIT + +from typing import Dict, Literal + +import torch.nn as nn +from dgl import DGLGraph +from dgl.nn.pytorch import AvgPooling, MaxPooling +from torch import Tensor + + +class GPooling(nn.Module): + """ + Graph max/average pooling on a given feature type. + The average can be taken for any feature type, and equivariance will be maintained. + The maximum can only be taken for invariant features (type 0). + If you want max-pooling for type > 0 features, look into Vector Neurons. + """ + + def __init__(self, feat_type: int = 0, pool: Literal['max', 'avg'] = 'max'): + """ + :param feat_type: Feature type to pool + :param pool: Type of pooling: max or avg + """ + super().__init__() + assert pool in ['max', 'avg'], f'Unknown pooling: {pool}' + assert feat_type == 0 or pool == 'avg', 'Max pooling on type > 0 features will break equivariance' + self.feat_type = feat_type + self.pool = MaxPooling() if pool == 'max' else AvgPooling() + + def forward(self, features: Dict[str, Tensor], graph: DGLGraph, **kwargs) -> Tensor: + pooled = self.pool(graph, features[str(self.feat_type)]) + return pooled.squeeze(dim=-1) diff --git a/RFdiffusion/env/SE3Transformer/build/lib/se3_transformer/model/transformer.py b/RFdiffusion/env/SE3Transformer/build/lib/se3_transformer/model/transformer.py new file mode 100644 index 0000000000000000000000000000000000000000..ab89f77a12b8b40b16c402647059260606c98c60 --- /dev/null +++ b/RFdiffusion/env/SE3Transformer/build/lib/se3_transformer/model/transformer.py @@ -0,0 +1,222 @@ +# Copyright (c) 2021, NVIDIA CORPORATION & AFFILIATES. All rights reserved. +# +# Permission is hereby granted, free of charge, to any person obtaining a +# copy of this software and associated documentation files (the "Software"), +# to deal in the Software without restriction, including without limitation +# the rights to use, copy, modify, merge, publish, distribute, sublicense, +# and/or sell copies of the Software, and to permit persons to whom the +# Software is furnished to do so, subject to the following conditions: +# +# The above copyright notice and this permission notice shall be included in +# all copies or substantial portions of the Software. +# +# THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR +# IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, +# FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL +# THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER +# LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING +# FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER +# DEALINGS IN THE SOFTWARE. +# +# SPDX-FileCopyrightText: Copyright (c) 2021 NVIDIA CORPORATION & AFFILIATES +# SPDX-License-Identifier: MIT + +import logging +from typing import Optional, Literal, Dict + +import torch +import torch.nn as nn +from dgl import DGLGraph +from torch import Tensor + +from se3_transformer.model.basis import get_basis, update_basis_with_fused +from se3_transformer.model.layers.attention import AttentionBlockSE3 +from se3_transformer.model.layers.convolution import ConvSE3, ConvSE3FuseLevel +from se3_transformer.model.layers.norm import NormSE3 +from se3_transformer.model.layers.pooling import GPooling +from se3_transformer.runtime.utils import str2bool +from se3_transformer.model.fiber import Fiber + + +class Sequential(nn.Sequential): + """ Sequential module with arbitrary forward args and kwargs. Used to pass graph, basis and edge features. """ + + def forward(self, input, *args, **kwargs): + for module in self: + input = module(input, *args, **kwargs) + return input + + +def get_populated_edge_features(relative_pos: Tensor, edge_features: Optional[Dict[str, Tensor]] = None): + """ Add relative positions to existing edge features """ + edge_features = edge_features.copy() if edge_features else {} + r = relative_pos.norm(dim=-1, keepdim=True) + if '0' in edge_features: + edge_features['0'] = torch.cat([edge_features['0'], r[..., None]], dim=1) + else: + edge_features['0'] = r[..., None] + + return edge_features + + +class SE3Transformer(nn.Module): + def __init__(self, + num_layers: int, + fiber_in: Fiber, + fiber_hidden: Fiber, + fiber_out: Fiber, + num_heads: int, + channels_div: int, + fiber_edge: Fiber = Fiber({}), + return_type: Optional[int] = None, + pooling: Optional[Literal['avg', 'max']] = None, + norm: bool = True, + use_layer_norm: bool = True, + tensor_cores: bool = False, + low_memory: bool = False, + **kwargs): + """ + :param num_layers: Number of attention layers + :param fiber_in: Input fiber description + :param fiber_hidden: Hidden fiber description + :param fiber_out: Output fiber description + :param fiber_edge: Input edge fiber description + :param num_heads: Number of attention heads + :param channels_div: Channels division before feeding to attention layer + :param return_type: Return only features of this type + :param pooling: 'avg' or 'max' graph pooling before MLP layers + :param norm: Apply a normalization layer after each attention block + :param use_layer_norm: Apply layer normalization between MLP layers + :param tensor_cores: True if using Tensor Cores (affects the use of fully fused convs, and padded bases) + :param low_memory: If True, will use slower ops that use less memory + """ + super().__init__() + self.num_layers = num_layers + self.fiber_edge = fiber_edge + self.num_heads = num_heads + self.channels_div = channels_div + self.return_type = return_type + self.pooling = pooling + self.max_degree = max(*fiber_in.degrees, *fiber_hidden.degrees, *fiber_out.degrees) + self.tensor_cores = tensor_cores + self.low_memory = low_memory + + if low_memory and not tensor_cores: + logging.warning('Low memory mode will have no effect with no Tensor Cores') + + # Fully fused convolutions when using Tensor Cores (and not low memory mode) + fuse_level = ConvSE3FuseLevel.FULL if tensor_cores and not low_memory else ConvSE3FuseLevel.PARTIAL + + graph_modules = [] + for i in range(num_layers): + graph_modules.append(AttentionBlockSE3(fiber_in=fiber_in, + fiber_out=fiber_hidden, + fiber_edge=fiber_edge, + num_heads=num_heads, + channels_div=channels_div, + use_layer_norm=use_layer_norm, + max_degree=self.max_degree, + fuse_level=fuse_level)) + if norm: + graph_modules.append(NormSE3(fiber_hidden)) + fiber_in = fiber_hidden + + graph_modules.append(ConvSE3(fiber_in=fiber_in, + fiber_out=fiber_out, + fiber_edge=fiber_edge, + self_interaction=True, + use_layer_norm=use_layer_norm, + max_degree=self.max_degree)) + self.graph_modules = Sequential(*graph_modules) + + if pooling is not None: + assert return_type is not None, 'return_type must be specified when pooling' + self.pooling_module = GPooling(pool=pooling, feat_type=return_type) + + def forward(self, graph: DGLGraph, node_feats: Dict[str, Tensor], + edge_feats: Optional[Dict[str, Tensor]] = None, + basis: Optional[Dict[str, Tensor]] = None): + # Compute bases in case they weren't precomputed as part of the data loading + basis = basis or get_basis(graph.edata['rel_pos'], max_degree=self.max_degree, compute_gradients=False, + use_pad_trick=self.tensor_cores and not self.low_memory, + amp=torch.is_autocast_enabled()) + + # Add fused bases (per output degree, per input degree, and fully fused) to the dict + basis = update_basis_with_fused(basis, self.max_degree, use_pad_trick=self.tensor_cores and not self.low_memory, + fully_fused=self.tensor_cores and not self.low_memory) + + edge_feats = get_populated_edge_features(graph.edata['rel_pos'], edge_feats) + + node_feats = self.graph_modules(node_feats, edge_feats, graph=graph, basis=basis) + + if self.pooling is not None: + return self.pooling_module(node_feats, graph=graph) + + if self.return_type is not None: + return node_feats[str(self.return_type)] + + return node_feats + + @staticmethod + def add_argparse_args(parser): + parser.add_argument('--num_layers', type=int, default=7, + help='Number of stacked Transformer layers') + parser.add_argument('--num_heads', type=int, default=8, + help='Number of heads in self-attention') + parser.add_argument('--channels_div', type=int, default=2, + help='Channels division before feeding to attention layer') + parser.add_argument('--pooling', type=str, default=None, const=None, nargs='?', choices=['max', 'avg'], + help='Type of graph pooling') + parser.add_argument('--norm', type=str2bool, nargs='?', const=True, default=False, + help='Apply a normalization layer after each attention block') + parser.add_argument('--use_layer_norm', type=str2bool, nargs='?', const=True, default=False, + help='Apply layer normalization between MLP layers') + parser.add_argument('--low_memory', type=str2bool, nargs='?', const=True, default=False, + help='If true, will use fused ops that are slower but that use less memory ' + '(expect 25 percent less memory). ' + 'Only has an effect if AMP is enabled on Volta GPUs, or if running on Ampere GPUs') + + return parser + + +class SE3TransformerPooled(nn.Module): + def __init__(self, + fiber_in: Fiber, + fiber_out: Fiber, + fiber_edge: Fiber, + num_degrees: int, + num_channels: int, + output_dim: int, + **kwargs): + super().__init__() + kwargs['pooling'] = kwargs['pooling'] or 'max' + self.transformer = SE3Transformer( + fiber_in=fiber_in, + fiber_hidden=Fiber.create(num_degrees, num_channels), + fiber_out=fiber_out, + fiber_edge=fiber_edge, + return_type=0, + **kwargs + ) + + n_out_features = fiber_out.num_features + self.mlp = nn.Sequential( + nn.Linear(n_out_features, n_out_features), + nn.ReLU(), + nn.Linear(n_out_features, output_dim) + ) + + def forward(self, graph, node_feats, edge_feats, basis=None): + feats = self.transformer(graph, node_feats, edge_feats, basis).squeeze(-1) + y = self.mlp(feats).squeeze(-1) + return y + + @staticmethod + def add_argparse_args(parent_parser): + parser = parent_parser.add_argument_group("Model architecture") + SE3Transformer.add_argparse_args(parser) + parser.add_argument('--num_degrees', + help='Number of degrees to use. Hidden features will have types [0, ..., num_degrees - 1]', + type=int, default=4) + parser.add_argument('--num_channels', help='Number of channels for the hidden features', type=int, default=32) + return parent_parser diff --git a/RFdiffusion/env/SE3Transformer/build/lib/se3_transformer/runtime/__init__.py b/RFdiffusion/env/SE3Transformer/build/lib/se3_transformer/runtime/__init__.py new file mode 100644 index 0000000000000000000000000000000000000000..e69de29bb2d1d6434b8b29ae775ad8c2e48c5391 diff --git a/RFdiffusion/env/SE3Transformer/build/lib/se3_transformer/runtime/arguments.py b/RFdiffusion/env/SE3Transformer/build/lib/se3_transformer/runtime/arguments.py new file mode 100644 index 0000000000000000000000000000000000000000..d35d5ee1d05a150ea40c411ec47c633213ca9d9f --- /dev/null +++ b/RFdiffusion/env/SE3Transformer/build/lib/se3_transformer/runtime/arguments.py @@ -0,0 +1,70 @@ +# Copyright (c) 2021, NVIDIA CORPORATION & AFFILIATES. All rights reserved. +# +# Permission is hereby granted, free of charge, to any person obtaining a +# copy of this software and associated documentation files (the "Software"), +# to deal in the Software without restriction, including without limitation +# the rights to use, copy, modify, merge, publish, distribute, sublicense, +# and/or sell copies of the Software, and to permit persons to whom the +# Software is furnished to do so, subject to the following conditions: +# +# The above copyright notice and this permission notice shall be included in +# all copies or substantial portions of the Software. +# +# THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR +# IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, +# FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL +# THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER +# LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING +# FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER +# DEALINGS IN THE SOFTWARE. +# +# SPDX-FileCopyrightText: Copyright (c) 2021 NVIDIA CORPORATION & AFFILIATES +# SPDX-License-Identifier: MIT + +import argparse +import pathlib + +from se3_transformer.data_loading import QM9DataModule +from se3_transformer.model import SE3TransformerPooled +from se3_transformer.runtime.utils import str2bool + +PARSER = argparse.ArgumentParser(description='SE(3)-Transformer') + +paths = PARSER.add_argument_group('Paths') +paths.add_argument('--data_dir', type=pathlib.Path, default=pathlib.Path('./data'), + help='Directory where the data is located or should be downloaded') +paths.add_argument('--log_dir', type=pathlib.Path, default=pathlib.Path('/results'), + help='Directory where the results logs should be saved') +paths.add_argument('--dllogger_name', type=str, default='dllogger_results.json', + help='Name for the resulting DLLogger JSON file') +paths.add_argument('--save_ckpt_path', type=pathlib.Path, default=None, + help='File where the checkpoint should be saved') +paths.add_argument('--load_ckpt_path', type=pathlib.Path, default=None, + help='File of the checkpoint to be loaded') + +optimizer = PARSER.add_argument_group('Optimizer') +optimizer.add_argument('--optimizer', choices=['adam', 'sgd', 'lamb'], default='adam') +optimizer.add_argument('--learning_rate', '--lr', dest='learning_rate', type=float, default=0.002) +optimizer.add_argument('--min_learning_rate', '--min_lr', dest='min_learning_rate', type=float, default=None) +optimizer.add_argument('--momentum', type=float, default=0.9) +optimizer.add_argument('--weight_decay', type=float, default=0.1) + +PARSER.add_argument('--epochs', type=int, default=100, help='Number of training epochs') +PARSER.add_argument('--batch_size', type=int, default=240, help='Batch size') +PARSER.add_argument('--seed', type=int, default=None, help='Set a seed globally') +PARSER.add_argument('--num_workers', type=int, default=8, help='Number of dataloading workers') + +PARSER.add_argument('--amp', type=str2bool, nargs='?', const=True, default=False, help='Use Automatic Mixed Precision') +PARSER.add_argument('--gradient_clip', type=float, default=None, help='Clipping of the gradient norms') +PARSER.add_argument('--accumulate_grad_batches', type=int, default=1, help='Gradient accumulation') +PARSER.add_argument('--ckpt_interval', type=int, default=-1, help='Save a checkpoint every N epochs') +PARSER.add_argument('--eval_interval', dest='eval_interval', type=int, default=1, + help='Do an evaluation round every N epochs') +PARSER.add_argument('--silent', type=str2bool, nargs='?', const=True, default=False, + help='Minimize stdout output') + +PARSER.add_argument('--benchmark', type=str2bool, nargs='?', const=True, default=False, + help='Benchmark mode') + +QM9DataModule.add_argparse_args(PARSER) +SE3TransformerPooled.add_argparse_args(PARSER) diff --git a/RFdiffusion/env/SE3Transformer/build/lib/se3_transformer/runtime/callbacks.py b/RFdiffusion/env/SE3Transformer/build/lib/se3_transformer/runtime/callbacks.py new file mode 100644 index 0000000000000000000000000000000000000000..b49d670c8305b3c4dea53ebf5c428cac628f2cf7 --- /dev/null +++ b/RFdiffusion/env/SE3Transformer/build/lib/se3_transformer/runtime/callbacks.py @@ -0,0 +1,160 @@ +# Copyright (c) 2021, NVIDIA CORPORATION & AFFILIATES. All rights reserved. +# +# Permission is hereby granted, free of charge, to any person obtaining a +# copy of this software and associated documentation files (the "Software"), +# to deal in the Software without restriction, including without limitation +# the rights to use, copy, modify, merge, publish, distribute, sublicense, +# and/or sell copies of the Software, and to permit persons to whom the +# Software is furnished to do so, subject to the following conditions: +# +# The above copyright notice and this permission notice shall be included in +# all copies or substantial portions of the Software. +# +# THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR +# IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, +# FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL +# THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER +# LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING +# FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER +# DEALINGS IN THE SOFTWARE. +# +# SPDX-FileCopyrightText: Copyright (c) 2021 NVIDIA CORPORATION & AFFILIATES +# SPDX-License-Identifier: MIT + +import logging +import time +from abc import ABC, abstractmethod +from typing import Optional + +import numpy as np +import torch + +from se3_transformer.runtime.loggers import Logger +from se3_transformer.runtime.metrics import MeanAbsoluteError + + +class BaseCallback(ABC): + def on_fit_start(self, optimizer, args): + pass + + def on_fit_end(self): + pass + + def on_epoch_end(self): + pass + + def on_batch_start(self): + pass + + def on_validation_step(self, input, target, pred): + pass + + def on_validation_end(self, epoch=None): + pass + + def on_checkpoint_load(self, checkpoint): + pass + + def on_checkpoint_save(self, checkpoint): + pass + + +class LRSchedulerCallback(BaseCallback): + def __init__(self, logger: Optional[Logger] = None): + self.logger = logger + self.scheduler = None + + @abstractmethod + def get_scheduler(self, optimizer, args): + pass + + def on_fit_start(self, optimizer, args): + self.scheduler = self.get_scheduler(optimizer, args) + + def on_checkpoint_load(self, checkpoint): + self.scheduler.load_state_dict(checkpoint['scheduler_state_dict']) + + def on_checkpoint_save(self, checkpoint): + checkpoint['scheduler_state_dict'] = self.scheduler.state_dict() + + def on_epoch_end(self): + if self.logger is not None: + self.logger.log_metrics({'learning rate': self.scheduler.get_last_lr()[0]}, step=self.scheduler.last_epoch) + self.scheduler.step() + + +class QM9MetricCallback(BaseCallback): + """ Logs the rescaled mean absolute error for QM9 regression tasks """ + + def __init__(self, logger, targets_std, prefix=''): + self.mae = MeanAbsoluteError() + self.logger = logger + self.targets_std = targets_std + self.prefix = prefix + self.best_mae = float('inf') + + def on_validation_step(self, input, target, pred): + self.mae(pred.detach(), target.detach()) + + def on_validation_end(self, epoch=None): + mae = self.mae.compute() * self.targets_std + logging.info(f'{self.prefix} MAE: {mae}') + self.logger.log_metrics({f'{self.prefix} MAE': mae}, epoch) + self.best_mae = min(self.best_mae, mae) + + def on_fit_end(self): + if self.best_mae != float('inf'): + self.logger.log_metrics({f'{self.prefix} best MAE': self.best_mae}) + + +class QM9LRSchedulerCallback(LRSchedulerCallback): + def __init__(self, logger, epochs): + super().__init__(logger) + self.epochs = epochs + + def get_scheduler(self, optimizer, args): + min_lr = args.min_learning_rate if args.min_learning_rate else args.learning_rate / 10.0 + return torch.optim.lr_scheduler.CosineAnnealingWarmRestarts(optimizer, self.epochs, eta_min=min_lr) + + +class PerformanceCallback(BaseCallback): + def __init__(self, logger, batch_size: int, warmup_epochs: int = 1, mode: str = 'train'): + self.batch_size = batch_size + self.warmup_epochs = warmup_epochs + self.epoch = 0 + self.timestamps = [] + self.mode = mode + self.logger = logger + + def on_batch_start(self): + if self.epoch >= self.warmup_epochs: + self.timestamps.append(time.time() * 1000.0) + + def _log_perf(self): + stats = self.process_performance_stats() + for k, v in stats.items(): + logging.info(f'performance {k}: {v}') + + self.logger.log_metrics(stats) + + def on_epoch_end(self): + self.epoch += 1 + + def on_fit_end(self): + if self.epoch > self.warmup_epochs: + self._log_perf() + self.timestamps = [] + + def process_performance_stats(self): + timestamps = np.asarray(self.timestamps) + deltas = np.diff(timestamps) + throughput = (self.batch_size / deltas).mean() + stats = { + f"throughput_{self.mode}": throughput, + f"latency_{self.mode}_mean": deltas.mean(), + f"total_time_{self.mode}": timestamps[-1] - timestamps[0], + } + for level in [90, 95, 99]: + stats.update({f"latency_{self.mode}_{level}": np.percentile(deltas, level)}) + + return stats diff --git a/RFdiffusion/env/SE3Transformer/build/lib/se3_transformer/runtime/gpu_affinity.py b/RFdiffusion/env/SE3Transformer/build/lib/se3_transformer/runtime/gpu_affinity.py new file mode 100644 index 0000000000000000000000000000000000000000..9d46215bbbcb04f87e4c8250e08b575f8e529693 --- /dev/null +++ b/RFdiffusion/env/SE3Transformer/build/lib/se3_transformer/runtime/gpu_affinity.py @@ -0,0 +1,325 @@ +# Copyright (c) 2021, NVIDIA CORPORATION & AFFILIATES. All rights reserved. +# +# Permission is hereby granted, free of charge, to any person obtaining a +# copy of this software and associated documentation files (the "Software"), +# to deal in the Software without restriction, including without limitation +# the rights to use, copy, modify, merge, publish, distribute, sublicense, +# and/or sell copies of the Software, and to permit persons to whom the +# Software is furnished to do so, subject to the following conditions: +# +# The above copyright notice and this permission notice shall be included in +# all copies or substantial portions of the Software. +# +# THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR +# IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, +# FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL +# THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER +# LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING +# FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER +# DEALINGS IN THE SOFTWARE. +# +# SPDX-FileCopyrightText: Copyright (c) 2021 NVIDIA CORPORATION & AFFILIATES +# SPDX-License-Identifier: MIT + +import collections +import itertools +import math +import os +import pathlib +import re + +import pynvml + + +class Device: + # assumes nvml returns list of 64 bit ints + _nvml_affinity_elements = math.ceil(os.cpu_count() / 64) + + def __init__(self, device_idx): + super().__init__() + self.handle = pynvml.nvmlDeviceGetHandleByIndex(device_idx) + + def get_name(self): + return pynvml.nvmlDeviceGetName(self.handle) + + def get_uuid(self): + return pynvml.nvmlDeviceGetUUID(self.handle) + + def get_cpu_affinity(self): + affinity_string = "" + for j in pynvml.nvmlDeviceGetCpuAffinity(self.handle, Device._nvml_affinity_elements): + # assume nvml returns list of 64 bit ints + affinity_string = "{:064b}".format(j) + affinity_string + + affinity_list = [int(x) for x in affinity_string] + affinity_list.reverse() # so core 0 is in 0th element of list + + ret = [i for i, e in enumerate(affinity_list) if e != 0] + return ret + + +def get_thread_siblings_list(): + """ + Returns a list of 2-element integer tuples representing pairs of + hyperthreading cores. + """ + path = "/sys/devices/system/cpu/cpu*/topology/thread_siblings_list" + thread_siblings_list = [] + pattern = re.compile(r"(\d+)\D(\d+)") + for fname in pathlib.Path(path[0]).glob(path[1:]): + with open(fname) as f: + content = f.read().strip() + res = pattern.findall(content) + if res: + pair = tuple(map(int, res[0])) + thread_siblings_list.append(pair) + return thread_siblings_list + + +def check_socket_affinities(socket_affinities): + # sets of cores should be either identical or disjoint + for i, j in itertools.product(socket_affinities, socket_affinities): + if not set(i) == set(j) and not set(i).isdisjoint(set(j)): + raise RuntimeError(f"Sets of cores should be either identical or disjoint, " f"but got {i} and {j}.") + + +def get_socket_affinities(nproc_per_node, exclude_unavailable_cores=True): + devices = [Device(i) for i in range(nproc_per_node)] + socket_affinities = [dev.get_cpu_affinity() for dev in devices] + + if exclude_unavailable_cores: + available_cores = os.sched_getaffinity(0) + socket_affinities = [list(set(affinity) & available_cores) for affinity in socket_affinities] + + check_socket_affinities(socket_affinities) + + return socket_affinities + + +def set_socket_affinity(gpu_id): + """ + The process is assigned with all available logical CPU cores from the CPU + socket connected to the GPU with a given id. + + Args: + gpu_id: index of a GPU + """ + dev = Device(gpu_id) + affinity = dev.get_cpu_affinity() + os.sched_setaffinity(0, affinity) + + +def set_single_affinity(gpu_id): + """ + The process is assigned with the first available logical CPU core from the + list of all CPU cores from the CPU socket connected to the GPU with a given + id. + + Args: + gpu_id: index of a GPU + """ + dev = Device(gpu_id) + affinity = dev.get_cpu_affinity() + + # exclude unavailable cores + available_cores = os.sched_getaffinity(0) + affinity = list(set(affinity) & available_cores) + os.sched_setaffinity(0, affinity[:1]) + + +def set_single_unique_affinity(gpu_id, nproc_per_node): + """ + The process is assigned with a single unique available physical CPU core + from the list of all CPU cores from the CPU socket connected to the GPU with + a given id. + + Args: + gpu_id: index of a GPU + """ + socket_affinities = get_socket_affinities(nproc_per_node) + + siblings_list = get_thread_siblings_list() + siblings_dict = dict(siblings_list) + + # remove siblings + for idx, socket_affinity in enumerate(socket_affinities): + socket_affinities[idx] = list(set(socket_affinity) - set(siblings_dict.values())) + + affinities = [] + assigned = [] + + for socket_affinity in socket_affinities: + for core in socket_affinity: + if core not in assigned: + affinities.append([core]) + assigned.append(core) + break + os.sched_setaffinity(0, affinities[gpu_id]) + + +def set_socket_unique_affinity(gpu_id, nproc_per_node, mode, balanced=True): + """ + The process is assigned with an unique subset of available physical CPU + cores from the CPU socket connected to a GPU with a given id. + Assignment automatically includes hyperthreading siblings (if siblings are + available). + + Args: + gpu_id: index of a GPU + nproc_per_node: total number of processes per node + mode: mode + balanced: assign an equal number of physical cores to each process + """ + socket_affinities = get_socket_affinities(nproc_per_node) + + siblings_list = get_thread_siblings_list() + siblings_dict = dict(siblings_list) + + # remove hyperthreading siblings + for idx, socket_affinity in enumerate(socket_affinities): + socket_affinities[idx] = list(set(socket_affinity) - set(siblings_dict.values())) + + socket_affinities_to_device_ids = collections.defaultdict(list) + + for idx, socket_affinity in enumerate(socket_affinities): + socket_affinities_to_device_ids[tuple(socket_affinity)].append(idx) + + # compute minimal number of physical cores per GPU across all GPUs and + # sockets, code assigns this number of cores per GPU if balanced == True + min_physical_cores_per_gpu = min( + [len(cores) // len(gpus) for cores, gpus in socket_affinities_to_device_ids.items()] + ) + + for socket_affinity, device_ids in socket_affinities_to_device_ids.items(): + devices_per_group = len(device_ids) + if balanced: + cores_per_device = min_physical_cores_per_gpu + socket_affinity = socket_affinity[: devices_per_group * min_physical_cores_per_gpu] + else: + cores_per_device = len(socket_affinity) // devices_per_group + + for group_id, device_id in enumerate(device_ids): + if device_id == gpu_id: + + # In theory there should be no difference in performance between + # 'interleaved' and 'continuous' pattern on Intel-based DGX-1, + # but 'continuous' should be better for DGX A100 because on AMD + # Rome 4 consecutive cores are sharing L3 cache. + # TODO: code doesn't attempt to automatically detect layout of + # L3 cache, also external environment may already exclude some + # cores, this code makes no attempt to detect it and to align + # mapping to multiples of 4. + + if mode == "interleaved": + affinity = list(socket_affinity[group_id::devices_per_group]) + elif mode == "continuous": + affinity = list(socket_affinity[group_id * cores_per_device: (group_id + 1) * cores_per_device]) + else: + raise RuntimeError("Unknown set_socket_unique_affinity mode") + + # unconditionally reintroduce hyperthreading siblings, this step + # may result in a different numbers of logical cores assigned to + # each GPU even if balanced == True (if hyperthreading siblings + # aren't available for a subset of cores due to some external + # constraints, siblings are re-added unconditionally, in the + # worst case unavailable logical core will be ignored by + # os.sched_setaffinity(). + affinity += [siblings_dict[aff] for aff in affinity if aff in siblings_dict] + os.sched_setaffinity(0, affinity) + + +def set_affinity(gpu_id, nproc_per_node, mode="socket_unique_continuous", balanced=True): + """ + The process is assigned with a proper CPU affinity which matches hardware + architecture on a given platform. Usually it improves and stabilizes + performance of deep learning training workloads. + + This function assumes that the workload is running in multi-process + single-device mode (there are multiple training processes and each process + is running on a single GPU), which is typical for multi-GPU training + workloads using `torch.nn.parallel.DistributedDataParallel`. + + Available affinity modes: + * 'socket' - the process is assigned with all available logical CPU cores + from the CPU socket connected to the GPU with a given id. + * 'single' - the process is assigned with the first available logical CPU + core from the list of all CPU cores from the CPU socket connected to the GPU + with a given id (multiple GPUs could be assigned with the same CPU core). + * 'single_unique' - the process is assigned with a single unique available + physical CPU core from the list of all CPU cores from the CPU socket + connected to the GPU with a given id. + * 'socket_unique_interleaved' - the process is assigned with an unique + subset of available physical CPU cores from the CPU socket connected to a + GPU with a given id, hyperthreading siblings are included automatically, + cores are assigned with interleaved indexing pattern + * 'socket_unique_continuous' - (the default) the process is assigned with an + unique subset of available physical CPU cores from the CPU socket connected + to a GPU with a given id, hyperthreading siblings are included + automatically, cores are assigned with continuous indexing pattern + + 'socket_unique_continuous' is the recommended mode for deep learning + training workloads on NVIDIA DGX machines. + + Args: + gpu_id: integer index of a GPU + nproc_per_node: number of processes per node + mode: affinity mode + balanced: assign an equal number of physical cores to each process, + affects only 'socket_unique_interleaved' and + 'socket_unique_continuous' affinity modes + + Returns a set of logical CPU cores on which the process is eligible to run. + + Example: + + import argparse + import os + + import gpu_affinity + import torch + + + def main(): + parser = argparse.ArgumentParser() + parser.add_argument( + '--local_rank', + type=int, + default=os.getenv('LOCAL_RANK', 0), + ) + args = parser.parse_args() + + nproc_per_node = torch.cuda.device_count() + + affinity = gpu_affinity.set_affinity(args.local_rank, nproc_per_node) + print(f'{args.local_rank}: core affinity: {affinity}') + + + if __name__ == "__main__": + main() + + Launch the example with: + python -m torch.distributed.launch --nproc_per_node <#GPUs> example.py + + + WARNING: On DGX A100 only a half of CPU cores have direct access to GPUs. + This function restricts execution only to the CPU cores directly connected + to GPUs, so on DGX A100 it will limit the code to half of CPU cores and half + of CPU memory bandwidth (which may be fine for many DL models). + """ + pynvml.nvmlInit() + + if mode == "socket": + set_socket_affinity(gpu_id) + elif mode == "single": + set_single_affinity(gpu_id) + elif mode == "single_unique": + set_single_unique_affinity(gpu_id, nproc_per_node) + elif mode == "socket_unique_interleaved": + set_socket_unique_affinity(gpu_id, nproc_per_node, "interleaved", balanced) + elif mode == "socket_unique_continuous": + set_socket_unique_affinity(gpu_id, nproc_per_node, "continuous", balanced) + else: + raise RuntimeError("Unknown affinity mode") + + affinity = os.sched_getaffinity(0) + return affinity diff --git a/RFdiffusion/env/SE3Transformer/build/lib/se3_transformer/runtime/inference.py b/RFdiffusion/env/SE3Transformer/build/lib/se3_transformer/runtime/inference.py new file mode 100644 index 0000000000000000000000000000000000000000..21e9125b24f9865b89cff29063ad997e77297d21 --- /dev/null +++ b/RFdiffusion/env/SE3Transformer/build/lib/se3_transformer/runtime/inference.py @@ -0,0 +1,131 @@ +# Copyright (c) 2021, NVIDIA CORPORATION & AFFILIATES. All rights reserved. +# +# Permission is hereby granted, free of charge, to any person obtaining a +# copy of this software and associated documentation files (the "Software"), +# to deal in the Software without restriction, including without limitation +# the rights to use, copy, modify, merge, publish, distribute, sublicense, +# and/or sell copies of the Software, and to permit persons to whom the +# Software is furnished to do so, subject to the following conditions: +# +# The above copyright notice and this permission notice shall be included in +# all copies or substantial portions of the Software. +# +# THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR +# IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, +# FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL +# THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER +# LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING +# FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER +# DEALINGS IN THE SOFTWARE. +# +# SPDX-FileCopyrightText: Copyright (c) 2021 NVIDIA CORPORATION & AFFILIATES +# SPDX-License-Identifier: MIT + +from typing import List + +import torch +import torch.nn as nn +from torch.nn.parallel import DistributedDataParallel +from torch.utils.data import DataLoader +from tqdm import tqdm + +from se3_transformer.runtime import gpu_affinity +from se3_transformer.runtime.arguments import PARSER +from se3_transformer.runtime.callbacks import BaseCallback +from se3_transformer.runtime.loggers import DLLogger +from se3_transformer.runtime.utils import to_cuda, get_local_rank + + +@torch.inference_mode() +def evaluate(model: nn.Module, + dataloader: DataLoader, + callbacks: List[BaseCallback], + args): + model.eval() + for i, batch in tqdm(enumerate(dataloader), total=len(dataloader), unit='batch', desc=f'Evaluation', + leave=False, disable=(args.silent or get_local_rank() != 0)): + *input, target = to_cuda(batch) + + for callback in callbacks: + callback.on_batch_start() + + with torch.cuda.amp.autocast(enabled=args.amp): + pred = model(*input) + + for callback in callbacks: + callback.on_validation_step(input, target, pred) + + +if __name__ == '__main__': + from se3_transformer.runtime.callbacks import QM9MetricCallback, PerformanceCallback + from se3_transformer.runtime.utils import init_distributed, seed_everything + from se3_transformer.model import SE3TransformerPooled, Fiber + from se3_transformer.data_loading import QM9DataModule + import torch.distributed as dist + import logging + import sys + + is_distributed = init_distributed() + local_rank = get_local_rank() + args = PARSER.parse_args() + + logging.getLogger().setLevel(logging.CRITICAL if local_rank != 0 or args.silent else logging.INFO) + + logging.info('====== SE(3)-Transformer ======') + logging.info('| Inference on the test set |') + logging.info('===============================') + + if not args.benchmark and args.load_ckpt_path is None: + logging.error('No load_ckpt_path provided, you need to provide a saved model to evaluate') + sys.exit(1) + + if args.benchmark: + logging.info('Running benchmark mode with one warmup pass') + + if args.seed is not None: + seed_everything(args.seed) + + major_cc, minor_cc = torch.cuda.get_device_capability() + + logger = DLLogger(args.log_dir, filename=args.dllogger_name) + datamodule = QM9DataModule(**vars(args)) + model = SE3TransformerPooled( + fiber_in=Fiber({0: datamodule.NODE_FEATURE_DIM}), + fiber_out=Fiber({0: args.num_degrees * args.num_channels}), + fiber_edge=Fiber({0: datamodule.EDGE_FEATURE_DIM}), + output_dim=1, + tensor_cores=(args.amp and major_cc >= 7) or major_cc >= 8, # use Tensor Cores more effectively + **vars(args) + ) + callbacks = [QM9MetricCallback(logger, targets_std=datamodule.targets_std, prefix='test')] + + model.to(device=torch.cuda.current_device()) + if args.load_ckpt_path is not None: + checkpoint = torch.load(str(args.load_ckpt_path), map_location={'cuda:0': f'cuda:{local_rank}'}) + model.load_state_dict(checkpoint['state_dict']) + + if is_distributed: + nproc_per_node = torch.cuda.device_count() + affinity = gpu_affinity.set_affinity(local_rank, nproc_per_node) + model = DistributedDataParallel(model, device_ids=[local_rank], output_device=local_rank) + + test_dataloader = datamodule.test_dataloader() if not args.benchmark else datamodule.train_dataloader() + evaluate(model, + test_dataloader, + callbacks, + args) + + for callback in callbacks: + callback.on_validation_end() + + if args.benchmark: + world_size = dist.get_world_size() if dist.is_initialized() else 1 + callbacks = [PerformanceCallback(logger, args.batch_size * world_size, warmup_epochs=1, mode='inference')] + for _ in range(6): + evaluate(model, + test_dataloader, + callbacks, + args) + callbacks[0].on_epoch_end() + + callbacks[0].on_fit_end() diff --git a/RFdiffusion/env/SE3Transformer/build/lib/se3_transformer/runtime/loggers.py b/RFdiffusion/env/SE3Transformer/build/lib/se3_transformer/runtime/loggers.py new file mode 100644 index 0000000000000000000000000000000000000000..591486d8814c5dff43b8652823900e05add06c83 --- /dev/null +++ b/RFdiffusion/env/SE3Transformer/build/lib/se3_transformer/runtime/loggers.py @@ -0,0 +1,134 @@ +# Copyright (c) 2021, NVIDIA CORPORATION & AFFILIATES. All rights reserved. +# +# Permission is hereby granted, free of charge, to any person obtaining a +# copy of this software and associated documentation files (the "Software"), +# to deal in the Software without restriction, including without limitation +# the rights to use, copy, modify, merge, publish, distribute, sublicense, +# and/or sell copies of the Software, and to permit persons to whom the +# Software is furnished to do so, subject to the following conditions: +# +# The above copyright notice and this permission notice shall be included in +# all copies or substantial portions of the Software. +# +# THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR +# IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, +# FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL +# THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER +# LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING +# FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER +# DEALINGS IN THE SOFTWARE. +# +# SPDX-FileCopyrightText: Copyright (c) 2021 NVIDIA CORPORATION & AFFILIATES +# SPDX-License-Identifier: MIT + +import pathlib +from abc import ABC, abstractmethod +from enum import Enum +from typing import Dict, Any, Callable, Optional + +import dllogger +import torch.distributed as dist +import wandb +from dllogger import Verbosity + +from se3_transformer.runtime.utils import rank_zero_only + + +class Logger(ABC): + @rank_zero_only + @abstractmethod + def log_hyperparams(self, params): + pass + + @rank_zero_only + @abstractmethod + def log_metrics(self, metrics, step=None): + pass + + @staticmethod + def _sanitize_params(params): + def _sanitize(val): + if isinstance(val, Callable): + try: + _val = val() + if isinstance(_val, Callable): + return val.__name__ + return _val + except Exception: + return getattr(val, "__name__", None) + elif isinstance(val, pathlib.Path) or isinstance(val, Enum): + return str(val) + return val + + return {key: _sanitize(val) for key, val in params.items()} + + +class LoggerCollection(Logger): + def __init__(self, loggers): + super().__init__() + self.loggers = loggers + + def __getitem__(self, index): + return [logger for logger in self.loggers][index] + + @rank_zero_only + def log_metrics(self, metrics, step=None): + for logger in self.loggers: + logger.log_metrics(metrics, step) + + @rank_zero_only + def log_hyperparams(self, params): + for logger in self.loggers: + logger.log_hyperparams(params) + + +class DLLogger(Logger): + def __init__(self, save_dir: pathlib.Path, filename: str): + super().__init__() + if not dist.is_initialized() or dist.get_rank() == 0: + save_dir.mkdir(parents=True, exist_ok=True) + dllogger.init( + backends=[dllogger.JSONStreamBackend(Verbosity.DEFAULT, str(save_dir / filename))]) + + @rank_zero_only + def log_hyperparams(self, params): + params = self._sanitize_params(params) + dllogger.log(step="PARAMETER", data=params) + + @rank_zero_only + def log_metrics(self, metrics, step=None): + if step is None: + step = tuple() + + dllogger.log(step=step, data=metrics) + + +class WandbLogger(Logger): + def __init__( + self, + name: str, + save_dir: pathlib.Path, + id: Optional[str] = None, + project: Optional[str] = None + ): + super().__init__() + if not dist.is_initialized() or dist.get_rank() == 0: + save_dir.mkdir(parents=True, exist_ok=True) + self.experiment = wandb.init(name=name, + project=project, + id=id, + dir=str(save_dir), + resume='allow', + anonymous='must') + + @rank_zero_only + def log_hyperparams(self, params: Dict[str, Any]) -> None: + params = self._sanitize_params(params) + self.experiment.config.update(params, allow_val_change=True) + + @rank_zero_only + def log_metrics(self, metrics: Dict[str, float], step: Optional[int] = None) -> None: + if step is not None: + self.experiment.log({**metrics, 'epoch': step}) + else: + self.experiment.log(metrics) diff --git a/RFdiffusion/env/SE3Transformer/build/lib/se3_transformer/runtime/metrics.py b/RFdiffusion/env/SE3Transformer/build/lib/se3_transformer/runtime/metrics.py new file mode 100644 index 0000000000000000000000000000000000000000..63026a71989441603df6abd447555524f2fd1e85 --- /dev/null +++ b/RFdiffusion/env/SE3Transformer/build/lib/se3_transformer/runtime/metrics.py @@ -0,0 +1,83 @@ +# Copyright (c) 2021, NVIDIA CORPORATION & AFFILIATES. All rights reserved. +# +# Permission is hereby granted, free of charge, to any person obtaining a +# copy of this software and associated documentation files (the "Software"), +# to deal in the Software without restriction, including without limitation +# the rights to use, copy, modify, merge, publish, distribute, sublicense, +# and/or sell copies of the Software, and to permit persons to whom the +# Software is furnished to do so, subject to the following conditions: +# +# The above copyright notice and this permission notice shall be included in +# all copies or substantial portions of the Software. +# +# THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR +# IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, +# FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL +# THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER +# LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING +# FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER +# DEALINGS IN THE SOFTWARE. +# +# SPDX-FileCopyrightText: Copyright (c) 2021 NVIDIA CORPORATION & AFFILIATES +# SPDX-License-Identifier: MIT + +from abc import ABC, abstractmethod + +import torch +import torch.distributed as dist +from torch import Tensor + + +class Metric(ABC): + """ Metric class with synchronization capabilities similar to TorchMetrics """ + + def __init__(self): + self.states = {} + + def add_state(self, name: str, default: Tensor): + assert name not in self.states + self.states[name] = default.clone() + setattr(self, name, default) + + def synchronize(self): + if dist.is_initialized(): + for state in self.states: + dist.all_reduce(getattr(self, state), op=dist.ReduceOp.SUM, group=dist.group.WORLD) + + def __call__(self, *args, **kwargs): + self.update(*args, **kwargs) + + def reset(self): + for name, default in self.states.items(): + setattr(self, name, default.clone()) + + def compute(self): + self.synchronize() + value = self._compute().item() + self.reset() + return value + + @abstractmethod + def _compute(self): + pass + + @abstractmethod + def update(self, preds: Tensor, targets: Tensor): + pass + + +class MeanAbsoluteError(Metric): + def __init__(self): + super().__init__() + self.add_state('error', torch.tensor(0, dtype=torch.float32, device='cuda')) + self.add_state('total', torch.tensor(0, dtype=torch.int32, device='cuda')) + + def update(self, preds: Tensor, targets: Tensor): + preds = preds.detach() + n = preds.shape[0] + error = torch.abs(preds.view(n, -1) - targets.view(n, -1)).sum() + self.total += n + self.error += error + + def _compute(self): + return self.error / self.total diff --git a/RFdiffusion/env/SE3Transformer/build/lib/se3_transformer/runtime/training.py b/RFdiffusion/env/SE3Transformer/build/lib/se3_transformer/runtime/training.py new file mode 100644 index 0000000000000000000000000000000000000000..531227791679835906164f7f750bc36866ab8bfb --- /dev/null +++ b/RFdiffusion/env/SE3Transformer/build/lib/se3_transformer/runtime/training.py @@ -0,0 +1,238 @@ +# Copyright (c) 2021, NVIDIA CORPORATION & AFFILIATES. All rights reserved. +# +# Permission is hereby granted, free of charge, to any person obtaining a +# copy of this software and associated documentation files (the "Software"), +# to deal in the Software without restriction, including without limitation +# the rights to use, copy, modify, merge, publish, distribute, sublicense, +# and/or sell copies of the Software, and to permit persons to whom the +# Software is furnished to do so, subject to the following conditions: +# +# The above copyright notice and this permission notice shall be included in +# all copies or substantial portions of the Software. +# +# THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR +# IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, +# FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL +# THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER +# LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING +# FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER +# DEALINGS IN THE SOFTWARE. +# +# SPDX-FileCopyrightText: Copyright (c) 2021 NVIDIA CORPORATION & AFFILIATES +# SPDX-License-Identifier: MIT + +import logging +import pathlib +from typing import List + +import numpy as np +import torch +import torch.distributed as dist +import torch.nn as nn +from apex.optimizers import FusedAdam, FusedLAMB +from torch.nn.modules.loss import _Loss +from torch.nn.parallel import DistributedDataParallel +from torch.optim import Optimizer +from torch.utils.data import DataLoader, DistributedSampler +from tqdm import tqdm + +from se3_transformer.data_loading import QM9DataModule +from se3_transformer.model import SE3TransformerPooled +from se3_transformer.model.fiber import Fiber +from se3_transformer.runtime import gpu_affinity +from se3_transformer.runtime.arguments import PARSER +from se3_transformer.runtime.callbacks import QM9MetricCallback, QM9LRSchedulerCallback, BaseCallback, \ + PerformanceCallback +from se3_transformer.runtime.inference import evaluate +from se3_transformer.runtime.loggers import LoggerCollection, DLLogger, WandbLogger, Logger +from se3_transformer.runtime.utils import to_cuda, get_local_rank, init_distributed, seed_everything, \ + using_tensor_cores, increase_l2_fetch_granularity + + +def save_state(model: nn.Module, optimizer: Optimizer, epoch: int, path: pathlib.Path, callbacks: List[BaseCallback]): + """ Saves model, optimizer and epoch states to path (only once per node) """ + if get_local_rank() == 0: + state_dict = model.module.state_dict() if isinstance(model, DistributedDataParallel) else model.state_dict() + checkpoint = { + 'state_dict': state_dict, + 'optimizer_state_dict': optimizer.state_dict(), + 'epoch': epoch + } + for callback in callbacks: + callback.on_checkpoint_save(checkpoint) + + torch.save(checkpoint, str(path)) + logging.info(f'Saved checkpoint to {str(path)}') + + +def load_state(model: nn.Module, optimizer: Optimizer, path: pathlib.Path, callbacks: List[BaseCallback]): + """ Loads model, optimizer and epoch states from path """ + checkpoint = torch.load(str(path), map_location={'cuda:0': f'cuda:{get_local_rank()}'}) + if isinstance(model, DistributedDataParallel): + model.module.load_state_dict(checkpoint['state_dict']) + else: + model.load_state_dict(checkpoint['state_dict']) + optimizer.load_state_dict(checkpoint['optimizer_state_dict']) + + for callback in callbacks: + callback.on_checkpoint_load(checkpoint) + + logging.info(f'Loaded checkpoint from {str(path)}') + return checkpoint['epoch'] + + +def train_epoch(model, train_dataloader, loss_fn, epoch_idx, grad_scaler, optimizer, local_rank, callbacks, args): + losses = [] + for i, batch in tqdm(enumerate(train_dataloader), total=len(train_dataloader), unit='batch', + desc=f'Epoch {epoch_idx}', disable=(args.silent or local_rank != 0)): + *inputs, target = to_cuda(batch) + + for callback in callbacks: + callback.on_batch_start() + + with torch.cuda.amp.autocast(enabled=args.amp): + pred = model(*inputs) + loss = loss_fn(pred, target) / args.accumulate_grad_batches + + grad_scaler.scale(loss).backward() + + # gradient accumulation + if (i + 1) % args.accumulate_grad_batches == 0 or (i + 1) == len(train_dataloader): + if args.gradient_clip: + grad_scaler.unscale_(optimizer) + torch.nn.utils.clip_grad_norm_(model.parameters(), args.gradient_clip) + + grad_scaler.step(optimizer) + grad_scaler.update() + optimizer.zero_grad() + + losses.append(loss.item()) + + return np.mean(losses) + + +def train(model: nn.Module, + loss_fn: _Loss, + train_dataloader: DataLoader, + val_dataloader: DataLoader, + callbacks: List[BaseCallback], + logger: Logger, + args): + device = torch.cuda.current_device() + model.to(device=device) + local_rank = get_local_rank() + world_size = dist.get_world_size() if dist.is_initialized() else 1 + + if dist.is_initialized(): + model = DistributedDataParallel(model, device_ids=[local_rank], output_device=local_rank) + + model.train() + grad_scaler = torch.cuda.amp.GradScaler(enabled=args.amp) + if args.optimizer == 'adam': + optimizer = FusedAdam(model.parameters(), lr=args.learning_rate, betas=(args.momentum, 0.999), + weight_decay=args.weight_decay) + elif args.optimizer == 'lamb': + optimizer = FusedLAMB(model.parameters(), lr=args.learning_rate, betas=(args.momentum, 0.999), + weight_decay=args.weight_decay) + else: + optimizer = torch.optim.SGD(model.parameters(), lr=args.learning_rate, momentum=args.momentum, + weight_decay=args.weight_decay) + + epoch_start = load_state(model, optimizer, args.load_ckpt_path, callbacks) if args.load_ckpt_path else 0 + + for callback in callbacks: + callback.on_fit_start(optimizer, args) + + for epoch_idx in range(epoch_start, args.epochs): + if isinstance(train_dataloader.sampler, DistributedSampler): + train_dataloader.sampler.set_epoch(epoch_idx) + + loss = train_epoch(model, train_dataloader, loss_fn, epoch_idx, grad_scaler, optimizer, local_rank, callbacks, args) + if dist.is_initialized(): + loss = torch.tensor(loss, dtype=torch.float, device=device) + torch.distributed.all_reduce(loss) + loss = (loss / world_size).item() + + logging.info(f'Train loss: {loss}') + logger.log_metrics({'train loss': loss}, epoch_idx) + + for callback in callbacks: + callback.on_epoch_end() + + if not args.benchmark and args.save_ckpt_path is not None and args.ckpt_interval > 0 \ + and (epoch_idx + 1) % args.ckpt_interval == 0: + save_state(model, optimizer, epoch_idx, args.save_ckpt_path, callbacks) + + if not args.benchmark and args.eval_interval > 0 and (epoch_idx + 1) % args.eval_interval == 0: + evaluate(model, val_dataloader, callbacks, args) + model.train() + + for callback in callbacks: + callback.on_validation_end(epoch_idx) + + if args.save_ckpt_path is not None and not args.benchmark: + save_state(model, optimizer, args.epochs, args.save_ckpt_path, callbacks) + + for callback in callbacks: + callback.on_fit_end() + + +def print_parameters_count(model): + num_params_trainable = sum(p.numel() for p in model.parameters() if p.requires_grad) + logging.info(f'Number of trainable parameters: {num_params_trainable}') + + +if __name__ == '__main__': + is_distributed = init_distributed() + local_rank = get_local_rank() + args = PARSER.parse_args() + + logging.getLogger().setLevel(logging.CRITICAL if local_rank != 0 or args.silent else logging.INFO) + + logging.info('====== SE(3)-Transformer ======') + logging.info('| Training procedure |') + logging.info('===============================') + + if args.seed is not None: + logging.info(f'Using seed {args.seed}') + seed_everything(args.seed) + + logger = LoggerCollection([ + DLLogger(save_dir=args.log_dir, filename=args.dllogger_name), + WandbLogger(name=f'QM9({args.task})', save_dir=args.log_dir, project='se3-transformer') + ]) + + datamodule = QM9DataModule(**vars(args)) + model = SE3TransformerPooled( + fiber_in=Fiber({0: datamodule.NODE_FEATURE_DIM}), + fiber_out=Fiber({0: args.num_degrees * args.num_channels}), + fiber_edge=Fiber({0: datamodule.EDGE_FEATURE_DIM}), + output_dim=1, + tensor_cores=using_tensor_cores(args.amp), # use Tensor Cores more effectively + **vars(args) + ) + loss_fn = nn.L1Loss() + + if args.benchmark: + logging.info('Running benchmark mode') + world_size = dist.get_world_size() if dist.is_initialized() else 1 + callbacks = [PerformanceCallback(logger, args.batch_size * world_size)] + else: + callbacks = [QM9MetricCallback(logger, targets_std=datamodule.targets_std, prefix='validation'), + QM9LRSchedulerCallback(logger, epochs=args.epochs)] + + if is_distributed: + gpu_affinity.set_affinity(gpu_id=get_local_rank(), nproc_per_node=torch.cuda.device_count()) + + print_parameters_count(model) + logger.log_hyperparams(vars(args)) + increase_l2_fetch_granularity() + train(model, + loss_fn, + datamodule.train_dataloader(), + datamodule.val_dataloader(), + callbacks, + logger, + args) + + logging.info('Training finished successfully') diff --git a/RFdiffusion/env/SE3Transformer/build/lib/se3_transformer/runtime/utils.py b/RFdiffusion/env/SE3Transformer/build/lib/se3_transformer/runtime/utils.py new file mode 100644 index 0000000000000000000000000000000000000000..b6248fa6e5d94a14df6726eb73274a4727281a63 --- /dev/null +++ b/RFdiffusion/env/SE3Transformer/build/lib/se3_transformer/runtime/utils.py @@ -0,0 +1,130 @@ +# Copyright (c) 2021, NVIDIA CORPORATION & AFFILIATES. All rights reserved. +# +# Permission is hereby granted, free of charge, to any person obtaining a +# copy of this software and associated documentation files (the "Software"), +# to deal in the Software without restriction, including without limitation +# the rights to use, copy, modify, merge, publish, distribute, sublicense, +# and/or sell copies of the Software, and to permit persons to whom the +# Software is furnished to do so, subject to the following conditions: +# +# The above copyright notice and this permission notice shall be included in +# all copies or substantial portions of the Software. +# +# THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR +# IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, +# FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL +# THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER +# LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING +# FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER +# DEALINGS IN THE SOFTWARE. +# +# SPDX-FileCopyrightText: Copyright (c) 2021 NVIDIA CORPORATION & AFFILIATES +# SPDX-License-Identifier: MIT + +import argparse +import ctypes +import logging +import os +import random +from functools import wraps +from typing import Union, List, Dict + +import numpy as np +import torch +import torch.distributed as dist +from torch import Tensor + + +def aggregate_residual(feats1, feats2, method: str): + """ Add or concatenate two fiber features together. If degrees don't match, will use the ones of feats2. """ + if method in ['add', 'sum']: + return {k: (v + feats1[k]) if k in feats1 else v for k, v in feats2.items()} + elif method in ['cat', 'concat']: + return {k: torch.cat([v, feats1[k]], dim=1) if k in feats1 else v for k, v in feats2.items()} + else: + raise ValueError('Method must be add/sum or cat/concat') + + +def degree_to_dim(degree: int) -> int: + return 2 * degree + 1 + + +def unfuse_features(features: Tensor, degrees: List[int]) -> Dict[str, Tensor]: + return dict(zip(map(str, degrees), features.split([degree_to_dim(deg) for deg in degrees], dim=-1))) + + +def str2bool(v: Union[bool, str]) -> bool: + if isinstance(v, bool): + return v + if v.lower() in ('yes', 'true', 't', 'y', '1'): + return True + elif v.lower() in ('no', 'false', 'f', 'n', '0'): + return False + else: + raise argparse.ArgumentTypeError('Boolean value expected.') + + +def to_cuda(x): + """ Try to convert a Tensor, a collection of Tensors or a DGLGraph to CUDA """ + if isinstance(x, Tensor): + return x.cuda(non_blocking=True) + elif isinstance(x, tuple): + return (to_cuda(v) for v in x) + elif isinstance(x, list): + return [to_cuda(v) for v in x] + elif isinstance(x, dict): + return {k: to_cuda(v) for k, v in x.items()} + else: + # DGLGraph or other objects + return x.to(device=torch.cuda.current_device()) + + +def get_local_rank() -> int: + return int(os.environ.get('LOCAL_RANK', 0)) + + +def init_distributed() -> bool: + world_size = int(os.environ.get('WORLD_SIZE', 1)) + distributed = world_size > 1 + if distributed: + backend = 'nccl' if torch.cuda.is_available() else 'gloo' + dist.init_process_group(backend=backend, init_method='env://') + if backend == 'nccl': + torch.cuda.set_device(get_local_rank()) + else: + logging.warning('Running on CPU only!') + assert torch.distributed.is_initialized() + return distributed + + +def increase_l2_fetch_granularity(): + # maximum fetch granularity of L2: 128 bytes + _libcudart = ctypes.CDLL('libcudart.so') + # set device limit on the current device + # cudaLimitMaxL2FetchGranularity = 0x05 + pValue = ctypes.cast((ctypes.c_int * 1)(), ctypes.POINTER(ctypes.c_int)) + _libcudart.cudaDeviceSetLimit(ctypes.c_int(0x05), ctypes.c_int(128)) + _libcudart.cudaDeviceGetLimit(pValue, ctypes.c_int(0x05)) + assert pValue.contents.value == 128 + + +def seed_everything(seed): + seed = int(seed) + random.seed(seed) + np.random.seed(seed) + torch.manual_seed(seed) + torch.cuda.manual_seed_all(seed) + + +def rank_zero_only(fn): + @wraps(fn) + def wrapped_fn(*args, **kwargs): + if not dist.is_initialized() or dist.get_rank() == 0: + return fn(*args, **kwargs) + + return wrapped_fn + + +def using_tensor_cores(amp: bool) -> bool: + major_cc, minor_cc = torch.cuda.get_device_capability() + return (amp and major_cc >= 7) or major_cc >= 8 diff --git a/RFdiffusion/env/SE3Transformer/build/lib/tests/__init__.py b/RFdiffusion/env/SE3Transformer/build/lib/tests/__init__.py new file mode 100644 index 0000000000000000000000000000000000000000..e69de29bb2d1d6434b8b29ae775ad8c2e48c5391 diff --git a/RFdiffusion/env/SE3Transformer/build/lib/tests/test_equivariance.py b/RFdiffusion/env/SE3Transformer/build/lib/tests/test_equivariance.py new file mode 100644 index 0000000000000000000000000000000000000000..a0a29b7f0f038564721c38b95b6076c4b38ddb56 --- /dev/null +++ b/RFdiffusion/env/SE3Transformer/build/lib/tests/test_equivariance.py @@ -0,0 +1,102 @@ +# Copyright (c) 2021, NVIDIA CORPORATION & AFFILIATES. All rights reserved. +# +# Permission is hereby granted, free of charge, to any person obtaining a +# copy of this software and associated documentation files (the "Software"), +# to deal in the Software without restriction, including without limitation +# the rights to use, copy, modify, merge, publish, distribute, sublicense, +# and/or sell copies of the Software, and to permit persons to whom the +# Software is furnished to do so, subject to the following conditions: +# +# The above copyright notice and this permission notice shall be included in +# all copies or substantial portions of the Software. +# +# THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR +# IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, +# FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL +# THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER +# LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING +# FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER +# DEALINGS IN THE SOFTWARE. +# +# SPDX-FileCopyrightText: Copyright (c) 2021 NVIDIA CORPORATION & AFFILIATES +# SPDX-License-Identifier: MIT + +import torch + +from se3_transformer.model import SE3Transformer +from se3_transformer.model.fiber import Fiber +from tests.utils import get_random_graph, assign_relative_pos, get_max_diff, rot + +# Tolerances for equivariance error abs( f(x) @ R - f(x @ R) ) +TOL = 1e-3 +CHANNELS, NODES = 32, 512 + + +def _get_outputs(model, R): + feats0 = torch.randn(NODES, CHANNELS, 1) + feats1 = torch.randn(NODES, CHANNELS, 3) + + coords = torch.randn(NODES, 3) + graph = get_random_graph(NODES) + if torch.cuda.is_available(): + feats0 = feats0.cuda() + feats1 = feats1.cuda() + R = R.cuda() + coords = coords.cuda() + graph = graph.to('cuda') + model.cuda() + + graph1 = assign_relative_pos(graph, coords) + out1 = model(graph1, {'0': feats0, '1': feats1}, {}) + graph2 = assign_relative_pos(graph, coords @ R) + out2 = model(graph2, {'0': feats0, '1': feats1 @ R}, {}) + + return out1, out2 + + +def _get_model(**kwargs): + return SE3Transformer( + num_layers=4, + fiber_in=Fiber.create(2, CHANNELS), + fiber_hidden=Fiber.create(3, CHANNELS), + fiber_out=Fiber.create(2, CHANNELS), + fiber_edge=Fiber({}), + num_heads=8, + channels_div=2, + **kwargs + ) + + +def test_equivariance(): + model = _get_model() + R = rot(*torch.rand(3)) + if torch.cuda.is_available(): + R = R.cuda() + out1, out2 = _get_outputs(model, R) + + assert torch.allclose(out2['0'], out1['0'], atol=TOL), \ + f'type-0 features should be invariant {get_max_diff(out1["0"], out2["0"])}' + assert torch.allclose(out2['1'], (out1['1'] @ R), atol=TOL), \ + f'type-1 features should be equivariant {get_max_diff(out1["1"] @ R, out2["1"])}' + + +def test_equivariance_pooled(): + model = _get_model(pooling='avg', return_type=1) + R = rot(*torch.rand(3)) + if torch.cuda.is_available(): + R = R.cuda() + out1, out2 = _get_outputs(model, R) + + assert torch.allclose(out2, (out1 @ R), atol=TOL), \ + f'type-1 features should be equivariant {get_max_diff(out1 @ R, out2)}' + + +def test_invariance_pooled(): + model = _get_model(pooling='avg', return_type=0) + R = rot(*torch.rand(3)) + if torch.cuda.is_available(): + R = R.cuda() + out1, out2 = _get_outputs(model, R) + + assert torch.allclose(out2, out1, atol=TOL), \ + f'type-0 features should be invariant {get_max_diff(out1, out2)}' diff --git a/RFdiffusion/env/SE3Transformer/build/lib/tests/utils.py b/RFdiffusion/env/SE3Transformer/build/lib/tests/utils.py new file mode 100644 index 0000000000000000000000000000000000000000..195f0aef86315f38b280efa522fbe75bbe90594f --- /dev/null +++ b/RFdiffusion/env/SE3Transformer/build/lib/tests/utils.py @@ -0,0 +1,60 @@ +# Copyright (c) 2021, NVIDIA CORPORATION & AFFILIATES. All rights reserved. +# +# Permission is hereby granted, free of charge, to any person obtaining a +# copy of this software and associated documentation files (the "Software"), +# to deal in the Software without restriction, including without limitation +# the rights to use, copy, modify, merge, publish, distribute, sublicense, +# and/or sell copies of the Software, and to permit persons to whom the +# Software is furnished to do so, subject to the following conditions: +# +# The above copyright notice and this permission notice shall be included in +# all copies or substantial portions of the Software. +# +# THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR +# IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, +# FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL +# THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER +# LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING +# FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER +# DEALINGS IN THE SOFTWARE. +# +# SPDX-FileCopyrightText: Copyright (c) 2021 NVIDIA CORPORATION & AFFILIATES +# SPDX-License-Identifier: MIT + +import dgl +import torch + + +def get_random_graph(N, num_edges_factor=18): + graph = dgl.transform.remove_self_loop(dgl.rand_graph(N, N * num_edges_factor)) + return graph + + +def assign_relative_pos(graph, coords): + src, dst = graph.edges() + graph.edata['rel_pos'] = coords[src] - coords[dst] + return graph + + +def get_max_diff(a, b): + return (a - b).abs().max().item() + + +def rot_z(gamma): + return torch.tensor([ + [torch.cos(gamma), -torch.sin(gamma), 0], + [torch.sin(gamma), torch.cos(gamma), 0], + [0, 0, 1] + ], dtype=gamma.dtype) + + +def rot_y(beta): + return torch.tensor([ + [torch.cos(beta), 0, torch.sin(beta)], + [0, 1, 0], + [-torch.sin(beta), 0, torch.cos(beta)] + ], dtype=beta.dtype) + + +def rot(alpha, beta, gamma): + return rot_z(alpha) @ rot_y(beta) @ rot_z(gamma) diff --git a/RFdiffusion/env/SE3Transformer/dist/se3_transformer-1.0.0-py3.10.egg b/RFdiffusion/env/SE3Transformer/dist/se3_transformer-1.0.0-py3.10.egg new file mode 100644 index 0000000000000000000000000000000000000000..58d80657333c08946375e04eb48b5f16e6a42a5b Binary files /dev/null and b/RFdiffusion/env/SE3Transformer/dist/se3_transformer-1.0.0-py3.10.egg differ diff --git a/RFdiffusion/env/SE3Transformer/dist/se3_transformer-1.0.0-py3.11.egg b/RFdiffusion/env/SE3Transformer/dist/se3_transformer-1.0.0-py3.11.egg new file mode 100644 index 0000000000000000000000000000000000000000..5a2019e12e9d04b868ef0e3fa7e13487f6ecf03d Binary files /dev/null and b/RFdiffusion/env/SE3Transformer/dist/se3_transformer-1.0.0-py3.11.egg differ diff --git a/RFdiffusion/env/SE3Transformer/images/se3-transformer.png b/RFdiffusion/env/SE3Transformer/images/se3-transformer.png new file mode 100644 index 0000000000000000000000000000000000000000..f764c1c0ffe4e262012a7b49106127a4b318ab3d --- /dev/null +++ b/RFdiffusion/env/SE3Transformer/images/se3-transformer.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f7fefdc8a16212295193bafc70af19e7825d7aecc4dfccf72952cc0cd65e99b1 +size 1190831 diff --git a/RFdiffusion/env/SE3Transformer/requirements.txt b/RFdiffusion/env/SE3Transformer/requirements.txt new file mode 100644 index 0000000000000000000000000000000000000000..3e5ce68eda93f7fb15317d9d03e3c756adb31990 --- /dev/null +++ b/RFdiffusion/env/SE3Transformer/requirements.txt @@ -0,0 +1,5 @@ +e3nn==0.3.3 +wandb==0.12.0 +pynvml==11.0.0 +git+https://github.com/NVIDIA/dllogger#egg=dllogger +decorator==5.1.0 diff --git a/RFdiffusion/env/SE3Transformer/scripts/benchmark_inference.sh b/RFdiffusion/env/SE3Transformer/scripts/benchmark_inference.sh new file mode 100644 index 0000000000000000000000000000000000000000..8e252c67f974ff80b66c0955c2489ebb25efd4d9 --- /dev/null +++ b/RFdiffusion/env/SE3Transformer/scripts/benchmark_inference.sh @@ -0,0 +1,15 @@ +#!/usr/bin/env bash +# Script to benchmark inference performance, without bases precomputation + +# CLI args with defaults +BATCH_SIZE=${1:-240} +AMP=${2:-true} + +CUDA_VISIBLE_DEVICES=0 python -m se3_transformer.runtime.inference \ + --amp "$AMP" \ + --batch_size "$BATCH_SIZE" \ + --use_layer_norm \ + --norm \ + --task homo \ + --seed 42 \ + --benchmark diff --git a/RFdiffusion/env/SE3Transformer/scripts/benchmark_train.sh b/RFdiffusion/env/SE3Transformer/scripts/benchmark_train.sh new file mode 100644 index 0000000000000000000000000000000000000000..5bcd707a996c3929bb84415d232a2c5d54ce5cae --- /dev/null +++ b/RFdiffusion/env/SE3Transformer/scripts/benchmark_train.sh @@ -0,0 +1,18 @@ +#!/usr/bin/env bash +# Script to benchmark single-GPU training performance, with bases precomputation + +# CLI args with defaults +BATCH_SIZE=${1:-240} +AMP=${2:-true} + +CUDA_VISIBLE_DEVICES=0 python -m se3_transformer.runtime.training \ + --amp "$AMP" \ + --batch_size "$BATCH_SIZE" \ + --epochs 6 \ + --use_layer_norm \ + --norm \ + --save_ckpt_path model_qm9.pth \ + --task homo \ + --precompute_bases \ + --seed 42 \ + --benchmark diff --git a/RFdiffusion/env/SE3Transformer/scripts/benchmark_train_multi_gpu.sh b/RFdiffusion/env/SE3Transformer/scripts/benchmark_train_multi_gpu.sh new file mode 100644 index 0000000000000000000000000000000000000000..fc371490b3ff3f389cf134641250041a308c95a6 --- /dev/null +++ b/RFdiffusion/env/SE3Transformer/scripts/benchmark_train_multi_gpu.sh @@ -0,0 +1,19 @@ +#!/usr/bin/env bash +# Script to benchmark multi-GPU training performance, with bases precomputation + +# CLI args with defaults +BATCH_SIZE=${1:-240} +AMP=${2:-true} + +python -m torch.distributed.run --nnodes=1 --nproc_per_node=gpu --max_restarts 0 --module \ + se3_transformer.runtime.training \ + --amp "$AMP" \ + --batch_size "$BATCH_SIZE" \ + --epochs 6 \ + --use_layer_norm \ + --norm \ + --save_ckpt_path model_qm9.pth \ + --task homo \ + --precompute_bases \ + --seed 42 \ + --benchmark diff --git a/RFdiffusion/env/SE3Transformer/scripts/predict.sh b/RFdiffusion/env/SE3Transformer/scripts/predict.sh new file mode 100644 index 0000000000000000000000000000000000000000..ec99501ab547ede4ddcdf085f5878a41d6fd85f8 --- /dev/null +++ b/RFdiffusion/env/SE3Transformer/scripts/predict.sh @@ -0,0 +1,19 @@ +#!/usr/bin/env bash + +# CLI args with defaults +BATCH_SIZE=${1:-240} +AMP=${2:-true} + + +# choices: 'mu', 'alpha', 'homo', 'lumo', 'gap', 'r2', 'zpve', 'U0', 'U', 'H', 'G', 'Cv', +# 'U0_atom', 'U_atom', 'H_atom', 'G_atom', 'A', 'B', 'C' +TASK=homo + +python -m torch.distributed.run --nnodes=1 --nproc_per_node=gpu --max_restarts 0 --module \ + se3_transformer.runtime.inference \ + --amp "$AMP" \ + --batch_size "$BATCH_SIZE" \ + --use_layer_norm \ + --norm \ + --load_ckpt_path model_qm9.pth \ + --task "$TASK" diff --git a/RFdiffusion/env/SE3Transformer/scripts/train.sh b/RFdiffusion/env/SE3Transformer/scripts/train.sh new file mode 100644 index 0000000000000000000000000000000000000000..ea30925824954c0acfc29a2f59cf9b44cc7fab8d --- /dev/null +++ b/RFdiffusion/env/SE3Transformer/scripts/train.sh @@ -0,0 +1,25 @@ +#!/usr/bin/env bash + +# CLI args with defaults +BATCH_SIZE=${1:-240} +AMP=${2:-true} +NUM_EPOCHS=${3:-100} +LEARNING_RATE=${4:-0.002} +WEIGHT_DECAY=${5:-0.1} + +# choices: 'mu', 'alpha', 'homo', 'lumo', 'gap', 'r2', 'zpve', 'U0', 'U', 'H', 'G', 'Cv', +# 'U0_atom', 'U_atom', 'H_atom', 'G_atom', 'A', 'B', 'C' +TASK=homo + +python -m se3_transformer.runtime.training \ + --amp "$AMP" \ + --batch_size "$BATCH_SIZE" \ + --epochs "$NUM_EPOCHS" \ + --lr "$LEARNING_RATE" \ + --weight_decay "$WEIGHT_DECAY" \ + --use_layer_norm \ + --norm \ + --save_ckpt_path model_qm9.pth \ + --precompute_bases \ + --seed 42 \ + --task "$TASK" \ No newline at end of file diff --git a/RFdiffusion/env/SE3Transformer/scripts/train_multi_gpu.sh b/RFdiffusion/env/SE3Transformer/scripts/train_multi_gpu.sh new file mode 100644 index 0000000000000000000000000000000000000000..a1344444c98714e83624b838daad37883263a8ee --- /dev/null +++ b/RFdiffusion/env/SE3Transformer/scripts/train_multi_gpu.sh @@ -0,0 +1,27 @@ +#!/usr/bin/env bash + +# CLI args with defaults +BATCH_SIZE=${1:-240} +AMP=${2:-true} +NUM_EPOCHS=${3:-130} +LEARNING_RATE=${4:-0.01} +WEIGHT_DECAY=${5:-0.1} + +# choices: 'mu', 'alpha', 'homo', 'lumo', 'gap', 'r2', 'zpve', 'U0', 'U', 'H', 'G', 'Cv', +# 'U0_atom', 'U_atom', 'H_atom', 'G_atom', 'A', 'B', 'C' +TASK=homo + +python -m torch.distributed.run --nnodes=1 --nproc_per_node=gpu --max_restarts 0 --module \ + se3_transformer.runtime.training \ + --amp "$AMP" \ + --batch_size "$BATCH_SIZE" \ + --epochs "$NUM_EPOCHS" \ + --lr "$LEARNING_RATE" \ + --min_lr 0.00001 \ + --weight_decay "$WEIGHT_DECAY" \ + --use_layer_norm \ + --norm \ + --save_ckpt_path model_qm9.pth \ + --precompute_bases \ + --seed 42 \ + --task "$TASK" \ No newline at end of file diff --git a/RFdiffusion/env/SE3Transformer/se3_transformer.egg-info/PKG-INFO b/RFdiffusion/env/SE3Transformer/se3_transformer.egg-info/PKG-INFO new file mode 100644 index 0000000000000000000000000000000000000000..9274bd48204bf6d65d2ac376f4898eaec76be137 --- /dev/null +++ b/RFdiffusion/env/SE3Transformer/se3_transformer.egg-info/PKG-INFO @@ -0,0 +1,8 @@ +Metadata-Version: 2.1 +Name: se3-transformer +Version: 1.0.0 +Summary: PyTorch + DGL implementation of SE(3)-Transformers +Author: Alexandre Milesi +Author-email: alexandrem@nvidia.com +License-File: LICENSE +License-File: NOTICE diff --git a/RFdiffusion/env/SE3Transformer/se3_transformer.egg-info/SOURCES.txt b/RFdiffusion/env/SE3Transformer/se3_transformer.egg-info/SOURCES.txt new file mode 100644 index 0000000000000000000000000000000000000000..40e0c9b89f289a394ce80916b336ddd311e46509 --- /dev/null +++ b/RFdiffusion/env/SE3Transformer/se3_transformer.egg-info/SOURCES.txt @@ -0,0 +1,34 @@ +LICENSE +NOTICE +README.md +setup.py +se3_transformer/__init__.py +se3_transformer.egg-info/PKG-INFO +se3_transformer.egg-info/SOURCES.txt +se3_transformer.egg-info/dependency_links.txt +se3_transformer.egg-info/top_level.txt +se3_transformer/data_loading/__init__.py +se3_transformer/data_loading/data_module.py +se3_transformer/data_loading/qm9.py +se3_transformer/model/__init__.py +se3_transformer/model/basis.py +se3_transformer/model/fiber.py +se3_transformer/model/transformer.py +se3_transformer/model/layers/__init__.py +se3_transformer/model/layers/attention.py +se3_transformer/model/layers/convolution.py +se3_transformer/model/layers/linear.py +se3_transformer/model/layers/norm.py +se3_transformer/model/layers/pooling.py +se3_transformer/runtime/__init__.py +se3_transformer/runtime/arguments.py +se3_transformer/runtime/callbacks.py +se3_transformer/runtime/gpu_affinity.py +se3_transformer/runtime/inference.py +se3_transformer/runtime/loggers.py +se3_transformer/runtime/metrics.py +se3_transformer/runtime/training.py +se3_transformer/runtime/utils.py +tests/__init__.py +tests/test_equivariance.py +tests/utils.py \ No newline at end of file diff --git a/RFdiffusion/env/SE3Transformer/se3_transformer.egg-info/dependency_links.txt b/RFdiffusion/env/SE3Transformer/se3_transformer.egg-info/dependency_links.txt new file mode 100644 index 0000000000000000000000000000000000000000..8b137891791fe96927ad78e64b0aad7bded08bdc --- /dev/null +++ b/RFdiffusion/env/SE3Transformer/se3_transformer.egg-info/dependency_links.txt @@ -0,0 +1 @@ + diff --git a/RFdiffusion/env/SE3Transformer/se3_transformer.egg-info/top_level.txt b/RFdiffusion/env/SE3Transformer/se3_transformer.egg-info/top_level.txt new file mode 100644 index 0000000000000000000000000000000000000000..a8d317fcab384958827d75327670b0c17a0652c2 --- /dev/null +++ b/RFdiffusion/env/SE3Transformer/se3_transformer.egg-info/top_level.txt @@ -0,0 +1,2 @@ +se3_transformer +tests diff --git a/RFdiffusion/env/SE3Transformer/se3_transformer/__init__.py b/RFdiffusion/env/SE3Transformer/se3_transformer/__init__.py new file mode 100644 index 0000000000000000000000000000000000000000..e69de29bb2d1d6434b8b29ae775ad8c2e48c5391 diff --git a/RFdiffusion/env/SE3Transformer/se3_transformer/data_loading/__init__.py b/RFdiffusion/env/SE3Transformer/se3_transformer/data_loading/__init__.py new file mode 100644 index 0000000000000000000000000000000000000000..67a9e0ed7b9c787830f1b99cc0132a14bbcaee43 --- /dev/null +++ b/RFdiffusion/env/SE3Transformer/se3_transformer/data_loading/__init__.py @@ -0,0 +1 @@ +from .qm9 import QM9DataModule diff --git a/RFdiffusion/env/SE3Transformer/se3_transformer/data_loading/data_module.py b/RFdiffusion/env/SE3Transformer/se3_transformer/data_loading/data_module.py new file mode 100644 index 0000000000000000000000000000000000000000..1047d41d16b81c05e2f14130311b42ab5b36eb36 --- /dev/null +++ b/RFdiffusion/env/SE3Transformer/se3_transformer/data_loading/data_module.py @@ -0,0 +1,63 @@ +# Copyright (c) 2021, NVIDIA CORPORATION & AFFILIATES. All rights reserved. +# +# Permission is hereby granted, free of charge, to any person obtaining a +# copy of this software and associated documentation files (the "Software"), +# to deal in the Software without restriction, including without limitation +# the rights to use, copy, modify, merge, publish, distribute, sublicense, +# and/or sell copies of the Software, and to permit persons to whom the +# Software is furnished to do so, subject to the following conditions: +# +# The above copyright notice and this permission notice shall be included in +# all copies or substantial portions of the Software. +# +# THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR +# IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, +# FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL +# THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER +# LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING +# FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER +# DEALINGS IN THE SOFTWARE. +# +# SPDX-FileCopyrightText: Copyright (c) 2021 NVIDIA CORPORATION & AFFILIATES +# SPDX-License-Identifier: MIT + +import torch.distributed as dist +from abc import ABC +from torch.utils.data import DataLoader, DistributedSampler, Dataset + +from se3_transformer.runtime.utils import get_local_rank + + +def _get_dataloader(dataset: Dataset, shuffle: bool, **kwargs) -> DataLoader: + # Classic or distributed dataloader depending on the context + sampler = DistributedSampler(dataset, shuffle=shuffle) if dist.is_initialized() else None + return DataLoader(dataset, shuffle=(shuffle and sampler is None), sampler=sampler, **kwargs) + + +class DataModule(ABC): + """ Abstract DataModule. Children must define self.ds_{train | val | test}. """ + + def __init__(self, **dataloader_kwargs): + super().__init__() + if get_local_rank() == 0: + self.prepare_data() + + # Wait until rank zero has prepared the data (download, preprocessing, ...) + if dist.is_initialized(): + dist.barrier(device_ids=[get_local_rank()]) + + self.dataloader_kwargs = {'pin_memory': True, 'persistent_workers': True, **dataloader_kwargs} + self.ds_train, self.ds_val, self.ds_test = None, None, None + + def prepare_data(self): + """ Method called only once per node. Put here any downloading or preprocessing """ + pass + + def train_dataloader(self) -> DataLoader: + return _get_dataloader(self.ds_train, shuffle=True, **self.dataloader_kwargs) + + def val_dataloader(self) -> DataLoader: + return _get_dataloader(self.ds_val, shuffle=False, **self.dataloader_kwargs) + + def test_dataloader(self) -> DataLoader: + return _get_dataloader(self.ds_test, shuffle=False, **self.dataloader_kwargs) diff --git a/RFdiffusion/env/SE3Transformer/se3_transformer/data_loading/qm9.py b/RFdiffusion/env/SE3Transformer/se3_transformer/data_loading/qm9.py new file mode 100644 index 0000000000000000000000000000000000000000..4cbc753e6e677cb83b9f43ee720940fb8d42d76a --- /dev/null +++ b/RFdiffusion/env/SE3Transformer/se3_transformer/data_loading/qm9.py @@ -0,0 +1,173 @@ +# Copyright (c) 2021, NVIDIA CORPORATION & AFFILIATES. All rights reserved. +# +# Permission is hereby granted, free of charge, to any person obtaining a +# copy of this software and associated documentation files (the "Software"), +# to deal in the Software without restriction, including without limitation +# the rights to use, copy, modify, merge, publish, distribute, sublicense, +# and/or sell copies of the Software, and to permit persons to whom the +# Software is furnished to do so, subject to the following conditions: +# +# The above copyright notice and this permission notice shall be included in +# all copies or substantial portions of the Software. +# +# THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR +# IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, +# FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL +# THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER +# LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING +# FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER +# DEALINGS IN THE SOFTWARE. +# +# SPDX-FileCopyrightText: Copyright (c) 2021 NVIDIA CORPORATION & AFFILIATES +# SPDX-License-Identifier: MIT +from typing import Tuple + +import dgl +import pathlib +import torch +from dgl.data import QM9EdgeDataset +from dgl import DGLGraph +from torch import Tensor +from torch.utils.data import random_split, DataLoader, Dataset +from tqdm import tqdm + +from se3_transformer.data_loading.data_module import DataModule +from se3_transformer.model.basis import get_basis +from se3_transformer.runtime.utils import get_local_rank, str2bool, using_tensor_cores + + +def _get_relative_pos(qm9_graph: DGLGraph) -> Tensor: + x = qm9_graph.ndata['pos'] + src, dst = qm9_graph.edges() + rel_pos = x[dst] - x[src] + return rel_pos + + +def _get_split_sizes(full_dataset: Dataset) -> Tuple[int, int, int]: + len_full = len(full_dataset) + len_train = 100_000 + len_test = int(0.1 * len_full) + len_val = len_full - len_train - len_test + return len_train, len_val, len_test + + +class QM9DataModule(DataModule): + """ + Datamodule wrapping https://docs.dgl.ai/en/latest/api/python/dgl.data.html#qm9edge-dataset + Training set is 100k molecules. Test set is 10% of the dataset. Validation set is the rest. + This includes all the molecules from QM9 except the ones that are uncharacterized. + """ + + NODE_FEATURE_DIM = 6 + EDGE_FEATURE_DIM = 4 + + def __init__(self, + data_dir: pathlib.Path, + task: str = 'homo', + batch_size: int = 240, + num_workers: int = 8, + num_degrees: int = 4, + amp: bool = False, + precompute_bases: bool = False, + **kwargs): + self.data_dir = data_dir # This needs to be before __init__ so that prepare_data has access to it + super().__init__(batch_size=batch_size, num_workers=num_workers, collate_fn=self._collate) + self.amp = amp + self.task = task + self.batch_size = batch_size + self.num_degrees = num_degrees + + qm9_kwargs = dict(label_keys=[self.task], verbose=False, raw_dir=str(data_dir)) + if precompute_bases: + bases_kwargs = dict(max_degree=num_degrees - 1, use_pad_trick=using_tensor_cores(amp), amp=amp) + full_dataset = CachedBasesQM9EdgeDataset(bases_kwargs=bases_kwargs, batch_size=batch_size, + num_workers=num_workers, **qm9_kwargs) + else: + full_dataset = QM9EdgeDataset(**qm9_kwargs) + + self.ds_train, self.ds_val, self.ds_test = random_split(full_dataset, _get_split_sizes(full_dataset), + generator=torch.Generator().manual_seed(0)) + + train_targets = full_dataset.targets[self.ds_train.indices, full_dataset.label_keys[0]] + self.targets_mean = train_targets.mean() + self.targets_std = train_targets.std() + + def prepare_data(self): + # Download the QM9 preprocessed data + QM9EdgeDataset(verbose=True, raw_dir=str(self.data_dir)) + + def _collate(self, samples): + graphs, y, *bases = map(list, zip(*samples)) + batched_graph = dgl.batch(graphs) + edge_feats = {'0': batched_graph.edata['edge_attr'][..., None]} + batched_graph.edata['rel_pos'] = _get_relative_pos(batched_graph) + # get node features + node_feats = {'0': batched_graph.ndata['attr'][:, :6, None]} + targets = (torch.cat(y) - self.targets_mean) / self.targets_std + + if bases: + # collate bases + all_bases = { + key: torch.cat([b[key] for b in bases[0]], dim=0) + for key in bases[0][0].keys() + } + + return batched_graph, node_feats, edge_feats, all_bases, targets + else: + return batched_graph, node_feats, edge_feats, targets + + @staticmethod + def add_argparse_args(parent_parser): + parser = parent_parser.add_argument_group("QM9 dataset") + parser.add_argument('--task', type=str, default='homo', const='homo', nargs='?', + choices=['mu', 'alpha', 'homo', 'lumo', 'gap', 'r2', 'zpve', 'U0', 'U', 'H', 'G', 'Cv', + 'U0_atom', 'U_atom', 'H_atom', 'G_atom', 'A', 'B', 'C'], + help='Regression task to train on') + parser.add_argument('--precompute_bases', type=str2bool, nargs='?', const=True, default=False, + help='Precompute bases at the beginning of the script during dataset initialization,' + ' instead of computing them at the beginning of each forward pass.') + return parent_parser + + def __repr__(self): + return f'QM9({self.task})' + + +class CachedBasesQM9EdgeDataset(QM9EdgeDataset): + """ Dataset extending the QM9 dataset from DGL with precomputed (cached in RAM) pairwise bases """ + + def __init__(self, bases_kwargs: dict, batch_size: int, num_workers: int, *args, **kwargs): + """ + :param bases_kwargs: Arguments to feed the bases computation function + :param batch_size: Batch size to use when iterating over the dataset for computing bases + """ + self.bases_kwargs = bases_kwargs + self.batch_size = batch_size + self.bases = None + self.num_workers = num_workers + super().__init__(*args, **kwargs) + + def load(self): + super().load() + # Iterate through the dataset and compute bases (pairwise only) + # Potential improvement: use multi-GPU and gather + dataloader = DataLoader(self, shuffle=False, batch_size=self.batch_size, num_workers=self.num_workers, + collate_fn=lambda samples: dgl.batch([sample[0] for sample in samples])) + bases = [] + for i, graph in tqdm(enumerate(dataloader), total=len(dataloader), desc='Precomputing QM9 bases', + disable=get_local_rank() != 0): + rel_pos = _get_relative_pos(graph) + # Compute the bases with the GPU but convert the result to CPU to store in RAM + bases.append({k: v.cpu() for k, v in get_basis(rel_pos.cuda(), **self.bases_kwargs).items()}) + self.bases = bases # Assign at the end so that __getitem__ isn't confused + + def __getitem__(self, idx: int): + graph, label = super().__getitem__(idx) + + if self.bases: + bases_idx = idx // self.batch_size + bases_cumsum_idx = self.ne_cumsum[idx] - self.ne_cumsum[bases_idx * self.batch_size] + bases_cumsum_next_idx = self.ne_cumsum[idx + 1] - self.ne_cumsum[bases_idx * self.batch_size] + return graph, label, {key: basis[bases_cumsum_idx:bases_cumsum_next_idx] for key, basis in + self.bases[bases_idx].items()} + else: + return graph, label diff --git a/RFdiffusion/env/SE3Transformer/se3_transformer/model/__init__.py b/RFdiffusion/env/SE3Transformer/se3_transformer/model/__init__.py new file mode 100644 index 0000000000000000000000000000000000000000..628d01e98d45d360187fb7fcce63f33ebf05d3b7 --- /dev/null +++ b/RFdiffusion/env/SE3Transformer/se3_transformer/model/__init__.py @@ -0,0 +1,2 @@ +from .transformer import SE3Transformer, SE3TransformerPooled +from .fiber import Fiber diff --git a/RFdiffusion/env/SE3Transformer/se3_transformer/model/basis.py b/RFdiffusion/env/SE3Transformer/se3_transformer/model/basis.py new file mode 100644 index 0000000000000000000000000000000000000000..74f04a0fada04ad63f9d9fc17f4fe7bb038d806b --- /dev/null +++ b/RFdiffusion/env/SE3Transformer/se3_transformer/model/basis.py @@ -0,0 +1,178 @@ +# Copyright (c) 2021, NVIDIA CORPORATION & AFFILIATES. All rights reserved. +# +# Permission is hereby granted, free of charge, to any person obtaining a +# copy of this software and associated documentation files (the "Software"), +# to deal in the Software without restriction, including without limitation +# the rights to use, copy, modify, merge, publish, distribute, sublicense, +# and/or sell copies of the Software, and to permit persons to whom the +# Software is furnished to do so, subject to the following conditions: +# +# The above copyright notice and this permission notice shall be included in +# all copies or substantial portions of the Software. +# +# THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR +# IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, +# FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL +# THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER +# LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING +# FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER +# DEALINGS IN THE SOFTWARE. +# +# SPDX-FileCopyrightText: Copyright (c) 2021 NVIDIA CORPORATION & AFFILIATES +# SPDX-License-Identifier: MIT + + +from functools import lru_cache +from typing import Dict, List + +import e3nn.o3 as o3 +import torch +import torch.nn.functional as F +from torch import Tensor +from torch.cuda.nvtx import range as nvtx_range + +from se3_transformer.runtime.utils import degree_to_dim + + +@lru_cache(maxsize=None) +def get_clebsch_gordon(J: int, d_in: int, d_out: int, device) -> Tensor: + """ Get the (cached) Q^{d_out,d_in}_J matrices from equation (8) """ + return o3.wigner_3j(J, d_in, d_out, dtype=torch.float64, device=device).permute(2, 1, 0) + + +@lru_cache(maxsize=None) +def get_all_clebsch_gordon(max_degree: int, device) -> List[List[Tensor]]: + all_cb = [] + for d_in in range(max_degree + 1): + for d_out in range(max_degree + 1): + K_Js = [] + for J in range(abs(d_in - d_out), d_in + d_out + 1): + K_Js.append(get_clebsch_gordon(J, d_in, d_out, device)) + all_cb.append(K_Js) + return all_cb + + +def get_spherical_harmonics(relative_pos: Tensor, max_degree: int) -> List[Tensor]: + all_degrees = list(range(2 * max_degree + 1)) + with nvtx_range('spherical harmonics'): + sh = o3.spherical_harmonics(all_degrees, relative_pos, normalize=True) + return torch.split(sh, [degree_to_dim(d) for d in all_degrees], dim=1) + + +@torch.jit.script +def get_basis_script(max_degree: int, + use_pad_trick: bool, + spherical_harmonics: List[Tensor], + clebsch_gordon: List[List[Tensor]], + amp: bool) -> Dict[str, Tensor]: + """ + Compute pairwise bases matrices for degrees up to max_degree + :param max_degree: Maximum input or output degree + :param use_pad_trick: Pad some of the odd dimensions for a better use of Tensor Cores + :param spherical_harmonics: List of computed spherical harmonics + :param clebsch_gordon: List of computed CB-coefficients + :param amp: When true, return bases in FP16 precision + """ + basis = {} + idx = 0 + # Double for loop instead of product() because of JIT script + for d_in in range(max_degree + 1): + for d_out in range(max_degree + 1): + key = f'{d_in},{d_out}' + K_Js = [] + for freq_idx, J in enumerate(range(abs(d_in - d_out), d_in + d_out + 1)): + Q_J = clebsch_gordon[idx][freq_idx] + K_Js.append(torch.einsum('n f, k l f -> n l k', spherical_harmonics[J].float(), Q_J.float())) + + basis[key] = torch.stack(K_Js, 2) # Stack on second dim so order is n l f k + if amp: + basis[key] = basis[key].half() + if use_pad_trick: + basis[key] = F.pad(basis[key], (0, 1)) # Pad the k dimension, that can be sliced later + + idx += 1 + + return basis + + +@torch.jit.script +def update_basis_with_fused(basis: Dict[str, Tensor], + max_degree: int, + use_pad_trick: bool, + fully_fused: bool) -> Dict[str, Tensor]: + """ Update the basis dict with partially and optionally fully fused bases """ + num_edges = basis['0,0'].shape[0] + device = basis['0,0'].device + dtype = basis['0,0'].dtype + sum_dim = sum([degree_to_dim(d) for d in range(max_degree + 1)]) + + # Fused per output degree + for d_out in range(max_degree + 1): + sum_freq = sum([degree_to_dim(min(d, d_out)) for d in range(max_degree + 1)]) + basis_fused = torch.zeros(num_edges, sum_dim, sum_freq, degree_to_dim(d_out) + int(use_pad_trick), + device=device, dtype=dtype) + acc_d, acc_f = 0, 0 + for d_in in range(max_degree + 1): + basis_fused[:, acc_d:acc_d + degree_to_dim(d_in), acc_f:acc_f + degree_to_dim(min(d_out, d_in)), + :degree_to_dim(d_out)] = basis[f'{d_in},{d_out}'][:, :, :, :degree_to_dim(d_out)] + + acc_d += degree_to_dim(d_in) + acc_f += degree_to_dim(min(d_out, d_in)) + + basis[f'out{d_out}_fused'] = basis_fused + + # Fused per input degree + for d_in in range(max_degree + 1): + sum_freq = sum([degree_to_dim(min(d, d_in)) for d in range(max_degree + 1)]) + basis_fused = torch.zeros(num_edges, degree_to_dim(d_in), sum_freq, sum_dim, + device=device, dtype=dtype) + acc_d, acc_f = 0, 0 + for d_out in range(max_degree + 1): + basis_fused[:, :, acc_f:acc_f + degree_to_dim(min(d_out, d_in)), acc_d:acc_d + degree_to_dim(d_out)] \ + = basis[f'{d_in},{d_out}'][:, :, :, :degree_to_dim(d_out)] + + acc_d += degree_to_dim(d_out) + acc_f += degree_to_dim(min(d_out, d_in)) + + basis[f'in{d_in}_fused'] = basis_fused + + if fully_fused: + # Fully fused + # Double sum this way because of JIT script + sum_freq = sum([ + sum([degree_to_dim(min(d_in, d_out)) for d_in in range(max_degree + 1)]) for d_out in range(max_degree + 1) + ]) + basis_fused = torch.zeros(num_edges, sum_dim, sum_freq, sum_dim, device=device, dtype=dtype) + + acc_d, acc_f = 0, 0 + for d_out in range(max_degree + 1): + b = basis[f'out{d_out}_fused'] + basis_fused[:, :, acc_f:acc_f + b.shape[2], acc_d:acc_d + degree_to_dim(d_out)] = b[:, :, :, + :degree_to_dim(d_out)] + acc_f += b.shape[2] + acc_d += degree_to_dim(d_out) + + basis['fully_fused'] = basis_fused + + del basis['0,0'] # We know that the basis for l = k = 0 is filled with a constant + return basis + + +def get_basis(relative_pos: Tensor, + max_degree: int = 4, + compute_gradients: bool = False, + use_pad_trick: bool = False, + amp: bool = False) -> Dict[str, Tensor]: + with nvtx_range('spherical harmonics'): + spherical_harmonics = get_spherical_harmonics(relative_pos, max_degree) + with nvtx_range('CB coefficients'): + clebsch_gordon = get_all_clebsch_gordon(max_degree, relative_pos.device) + + with torch.autograd.set_grad_enabled(compute_gradients): + with nvtx_range('bases'): + basis = get_basis_script(max_degree=max_degree, + use_pad_trick=use_pad_trick, + spherical_harmonics=spherical_harmonics, + clebsch_gordon=clebsch_gordon, + amp=amp) + return basis diff --git a/RFdiffusion/env/SE3Transformer/se3_transformer/model/fiber.py b/RFdiffusion/env/SE3Transformer/se3_transformer/model/fiber.py new file mode 100644 index 0000000000000000000000000000000000000000..38db33b0d27d70116c92650176170e9b3cf9a9c7 --- /dev/null +++ b/RFdiffusion/env/SE3Transformer/se3_transformer/model/fiber.py @@ -0,0 +1,144 @@ +# Copyright (c) 2021, NVIDIA CORPORATION & AFFILIATES. All rights reserved. +# +# Permission is hereby granted, free of charge, to any person obtaining a +# copy of this software and associated documentation files (the "Software"), +# to deal in the Software without restriction, including without limitation +# the rights to use, copy, modify, merge, publish, distribute, sublicense, +# and/or sell copies of the Software, and to permit persons to whom the +# Software is furnished to do so, subject to the following conditions: +# +# The above copyright notice and this permission notice shall be included in +# all copies or substantial portions of the Software. +# +# THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR +# IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, +# FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL +# THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER +# LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING +# FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER +# DEALINGS IN THE SOFTWARE. +# +# SPDX-FileCopyrightText: Copyright (c) 2021 NVIDIA CORPORATION & AFFILIATES +# SPDX-License-Identifier: MIT + + +from collections import namedtuple +from itertools import product +from typing import Dict + +import torch +from torch import Tensor + +from se3_transformer.runtime.utils import degree_to_dim + +FiberEl = namedtuple('FiberEl', ['degree', 'channels']) + + +class Fiber(dict): + """ + Describes the structure of some set of features. + Features are split into types (0, 1, 2, 3, ...). A feature of type k has a dimension of 2k+1. + Type-0 features: invariant scalars + Type-1 features: equivariant 3D vectors + Type-2 features: equivariant symmetric traceless matrices + ... + + As inputs to a SE3 layer, there can be many features of the same types, and many features of different types. + The 'multiplicity' or 'number of channels' is the number of features of a given type. + This class puts together all the degrees and their multiplicities in order to describe + the inputs, outputs or hidden features of SE3 layers. + """ + + def __init__(self, structure): + if isinstance(structure, dict): + structure = [FiberEl(int(d), int(m)) for d, m in sorted(structure.items(), key=lambda x: x[1])] + elif not isinstance(structure[0], FiberEl): + structure = list(map(lambda t: FiberEl(*t), sorted(structure, key=lambda x: x[1]))) + self.structure = structure + super().__init__({d: m for d, m in self.structure}) + + @property + def degrees(self): + return sorted([t.degree for t in self.structure]) + + @property + def channels(self): + return [self[d] for d in self.degrees] + + @property + def num_features(self): + """ Size of the resulting tensor if all features were concatenated together """ + return sum(t.channels * degree_to_dim(t.degree) for t in self.structure) + + @staticmethod + def create(num_degrees: int, num_channels: int): + """ Create a Fiber with degrees 0..num_degrees-1, all with the same multiplicity """ + return Fiber([(degree, num_channels) for degree in range(num_degrees)]) + + @staticmethod + def from_features(feats: Dict[str, Tensor]): + """ Infer the Fiber structure from a feature dict """ + structure = {} + for k, v in feats.items(): + degree = int(k) + assert len(v.shape) == 3, 'Feature shape should be (N, C, 2D+1)' + assert v.shape[-1] == degree_to_dim(degree) + structure[degree] = v.shape[-2] + return Fiber(structure) + + def __getitem__(self, degree: int): + """ fiber[degree] returns the multiplicity for this degree """ + return dict(self.structure).get(degree, 0) + + def __iter__(self): + """ Iterate over namedtuples (degree, channels) """ + return iter(self.structure) + + def __mul__(self, other): + """ + If other in an int, multiplies all the multiplicities by other. + If other is a fiber, returns the cartesian product. + """ + if isinstance(other, Fiber): + return product(self.structure, other.structure) + elif isinstance(other, int): + return Fiber({t.degree: t.channels * other for t in self.structure}) + + def __add__(self, other): + """ + If other in an int, add other to all the multiplicities. + If other is a fiber, add the multiplicities of the fibers together. + """ + if isinstance(other, Fiber): + return Fiber({t.degree: t.channels + other[t.degree] for t in self.structure}) + elif isinstance(other, int): + return Fiber({t.degree: t.channels + other for t in self.structure}) + + def __repr__(self): + return str(self.structure) + + @staticmethod + def combine_max(f1, f2): + """ Combine two fiber by taking the maximum multiplicity for each degree in both fibers """ + new_dict = dict(f1.structure) + for k, m in f2.structure: + new_dict[k] = max(new_dict.get(k, 0), m) + + return Fiber(list(new_dict.items())) + + @staticmethod + def combine_selectively(f1, f2): + """ Combine two fiber by taking the sum of multiplicities for each degree in the first fiber """ + # only use orders which occur in fiber f1 + new_dict = dict(f1.structure) + for k in f1.degrees: + if k in f2.degrees: + new_dict[k] += f2[k] + return Fiber(list(new_dict.items())) + + def to_attention_heads(self, tensors: Dict[str, Tensor], num_heads: int): + # dict(N, num_channels, 2d+1) -> (N, num_heads, -1) + fibers = [tensors[str(degree)].reshape(*tensors[str(degree)].shape[:-2], num_heads, -1) for degree in + self.degrees] + fibers = torch.cat(fibers, -1) + return fibers diff --git a/RFdiffusion/env/SE3Transformer/se3_transformer/model/layers/__init__.py b/RFdiffusion/env/SE3Transformer/se3_transformer/model/layers/__init__.py new file mode 100644 index 0000000000000000000000000000000000000000..9eb9e3ced5ef94e9a5c5be5883cc14ebaabe31f1 --- /dev/null +++ b/RFdiffusion/env/SE3Transformer/se3_transformer/model/layers/__init__.py @@ -0,0 +1,5 @@ +from .linear import LinearSE3 +from .norm import NormSE3 +from .pooling import GPooling +from .convolution import ConvSE3 +from .attention import AttentionBlockSE3 \ No newline at end of file diff --git a/RFdiffusion/env/SE3Transformer/se3_transformer/model/layers/attention.py b/RFdiffusion/env/SE3Transformer/se3_transformer/model/layers/attention.py new file mode 100644 index 0000000000000000000000000000000000000000..091525e976bb287e9ee9da8c6e387720ed2bc024 --- /dev/null +++ b/RFdiffusion/env/SE3Transformer/se3_transformer/model/layers/attention.py @@ -0,0 +1,180 @@ +# Copyright (c) 2021, NVIDIA CORPORATION & AFFILIATES. All rights reserved. +# +# Permission is hereby granted, free of charge, to any person obtaining a +# copy of this software and associated documentation files (the "Software"), +# to deal in the Software without restriction, including without limitation +# the rights to use, copy, modify, merge, publish, distribute, sublicense, +# and/or sell copies of the Software, and to permit persons to whom the +# Software is furnished to do so, subject to the following conditions: +# +# The above copyright notice and this permission notice shall be included in +# all copies or substantial portions of the Software. +# +# THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR +# IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, +# FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL +# THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER +# LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING +# FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER +# DEALINGS IN THE SOFTWARE. +# +# SPDX-FileCopyrightText: Copyright (c) 2021 NVIDIA CORPORATION & AFFILIATES +# SPDX-License-Identifier: MIT + +import dgl +import numpy as np +import torch +import torch.nn as nn +from dgl import DGLGraph +from dgl.ops import edge_softmax +from torch import Tensor +from typing import Dict, Optional, Union + +from se3_transformer.model.fiber import Fiber +from se3_transformer.model.layers.convolution import ConvSE3, ConvSE3FuseLevel +from se3_transformer.model.layers.linear import LinearSE3 +from se3_transformer.runtime.utils import degree_to_dim, aggregate_residual, unfuse_features +from torch.cuda.nvtx import range as nvtx_range + + +class AttentionSE3(nn.Module): + """ Multi-headed sparse graph self-attention (SE(3)-equivariant) """ + + def __init__( + self, + num_heads: int, + key_fiber: Fiber, + value_fiber: Fiber + ): + """ + :param num_heads: Number of attention heads + :param key_fiber: Fiber for the keys (and also for the queries) + :param value_fiber: Fiber for the values + """ + super().__init__() + self.num_heads = num_heads + self.key_fiber = key_fiber + self.value_fiber = value_fiber + + def forward( + self, + value: Union[Tensor, Dict[str, Tensor]], # edge features (may be fused) + key: Union[Tensor, Dict[str, Tensor]], # edge features (may be fused) + query: Dict[str, Tensor], # node features + graph: DGLGraph + ): + with nvtx_range('AttentionSE3'): + with nvtx_range('reshape keys and queries'): + if isinstance(key, Tensor): + # case where features of all types are fused + key = key.reshape(key.shape[0], self.num_heads, -1) + # need to reshape queries that way to keep the same layout as keys + out = torch.cat([query[str(d)] for d in self.key_fiber.degrees], dim=-1) + query = out.reshape(list(query.values())[0].shape[0], self.num_heads, -1) + else: + # features are not fused, need to fuse and reshape them + key = self.key_fiber.to_attention_heads(key, self.num_heads) + query = self.key_fiber.to_attention_heads(query, self.num_heads) + + with nvtx_range('attention dot product + softmax'): + # Compute attention weights (softmax of inner product between key and query) + edge_weights = dgl.ops.e_dot_v(graph, key, query).squeeze(-1) + edge_weights /= np.sqrt(self.key_fiber.num_features) + edge_weights = edge_softmax(graph, edge_weights) + edge_weights = edge_weights[..., None, None] + + with nvtx_range('weighted sum'): + if isinstance(value, Tensor): + # features of all types are fused + v = value.view(value.shape[0], self.num_heads, -1, value.shape[-1]) + weights = edge_weights * v + feat_out = dgl.ops.copy_e_sum(graph, weights) + feat_out = feat_out.view(feat_out.shape[0], -1, feat_out.shape[-1]) # merge heads + out = unfuse_features(feat_out, self.value_fiber.degrees) + else: + out = {} + for degree, channels in self.value_fiber: + v = value[str(degree)].view(-1, self.num_heads, channels // self.num_heads, + degree_to_dim(degree)) + weights = edge_weights * v + res = dgl.ops.copy_e_sum(graph, weights) + out[str(degree)] = res.view(-1, channels, degree_to_dim(degree)) # merge heads + + return out + + +class AttentionBlockSE3(nn.Module): + """ Multi-headed sparse graph self-attention block with skip connection, linear projection (SE(3)-equivariant) """ + + def __init__( + self, + fiber_in: Fiber, + fiber_out: Fiber, + fiber_edge: Optional[Fiber] = None, + num_heads: int = 4, + channels_div: int = 2, + use_layer_norm: bool = False, + max_degree: bool = 4, + fuse_level: ConvSE3FuseLevel = ConvSE3FuseLevel.FULL, + **kwargs + ): + """ + :param fiber_in: Fiber describing the input features + :param fiber_out: Fiber describing the output features + :param fiber_edge: Fiber describing the edge features (node distances excluded) + :param num_heads: Number of attention heads + :param channels_div: Divide the channels by this integer for computing values + :param use_layer_norm: Apply layer normalization between MLP layers + :param max_degree: Maximum degree used in the bases computation + :param fuse_level: Maximum fuse level to use in TFN convolutions + """ + super().__init__() + if fiber_edge is None: + fiber_edge = Fiber({}) + self.fiber_in = fiber_in + # value_fiber has same structure as fiber_out but #channels divided by 'channels_div' + value_fiber = Fiber([(degree, channels // channels_div) for degree, channels in fiber_out]) + # key_query_fiber has the same structure as fiber_out, but only degrees which are in in_fiber + # (queries are merely projected, hence degrees have to match input) + key_query_fiber = Fiber([(fe.degree, fe.channels) for fe in value_fiber if fe.degree in fiber_in.degrees]) + + self.to_key_value = ConvSE3(fiber_in, value_fiber + key_query_fiber, pool=False, fiber_edge=fiber_edge, + use_layer_norm=use_layer_norm, max_degree=max_degree, fuse_level=fuse_level, + allow_fused_output=True) + self.to_query = LinearSE3(fiber_in, key_query_fiber) + self.attention = AttentionSE3(num_heads, key_query_fiber, value_fiber) + self.project = LinearSE3(value_fiber + fiber_in, fiber_out) + + def forward( + self, + node_features: Dict[str, Tensor], + edge_features: Dict[str, Tensor], + graph: DGLGraph, + basis: Dict[str, Tensor] + ): + with nvtx_range('AttentionBlockSE3'): + with nvtx_range('keys / values'): + fused_key_value = self.to_key_value(node_features, edge_features, graph, basis) + key, value = self._get_key_value_from_fused(fused_key_value) + + with nvtx_range('queries'): + query = self.to_query(node_features) + + z = self.attention(value, key, query, graph) + z_concat = aggregate_residual(node_features, z, 'cat') + return self.project(z_concat) + + def _get_key_value_from_fused(self, fused_key_value): + # Extract keys and queries features from fused features + if isinstance(fused_key_value, Tensor): + # Previous layer was a fully fused convolution + value, key = torch.chunk(fused_key_value, chunks=2, dim=-2) + else: + key, value = {}, {} + for degree, feat in fused_key_value.items(): + if int(degree) in self.fiber_in.degrees: + value[degree], key[degree] = torch.chunk(feat, chunks=2, dim=-2) + else: + value[degree] = feat + + return key, value diff --git a/RFdiffusion/env/SE3Transformer/se3_transformer/model/layers/convolution.py b/RFdiffusion/env/SE3Transformer/se3_transformer/model/layers/convolution.py new file mode 100644 index 0000000000000000000000000000000000000000..c3de01534433674d26f67e8954b2f5e22869a122 --- /dev/null +++ b/RFdiffusion/env/SE3Transformer/se3_transformer/model/layers/convolution.py @@ -0,0 +1,336 @@ +# Copyright (c) 2021, NVIDIA CORPORATION & AFFILIATES. All rights reserved. +# +# Permission is hereby granted, free of charge, to any person obtaining a +# copy of this software and associated documentation files (the "Software"), +# to deal in the Software without restriction, including without limitation +# the rights to use, copy, modify, merge, publish, distribute, sublicense, +# and/or sell copies of the Software, and to permit persons to whom the +# Software is furnished to do so, subject to the following conditions: +# +# The above copyright notice and this permission notice shall be included in +# all copies or substantial portions of the Software. +# +# THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR +# IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, +# FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL +# THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER +# LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING +# FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER +# DEALINGS IN THE SOFTWARE. +# +# SPDX-FileCopyrightText: Copyright (c) 2021 NVIDIA CORPORATION & AFFILIATES +# SPDX-License-Identifier: MIT + +from enum import Enum +from itertools import product +from typing import Dict + +import dgl +import numpy as np +import torch +import torch.nn as nn +from dgl import DGLGraph +from torch import Tensor +from torch.cuda.nvtx import range as nvtx_range + +from se3_transformer.model.fiber import Fiber +from se3_transformer.runtime.utils import degree_to_dim, unfuse_features + + +class ConvSE3FuseLevel(Enum): + """ + Enum to select a maximum level of fusing optimizations that will be applied when certain conditions are met. + If a desired level L is picked and the level L cannot be applied to a level, other fused ops < L are considered. + A higher level means faster training, but also more memory usage. + If you are tight on memory and want to feed large inputs to the network, choose a low value. + If you want to train fast, choose a high value. + Recommended value is FULL with AMP. + + Fully fused TFN convolutions requirements: + - all input channels are the same + - all output channels are the same + - input degrees span the range [0, ..., max_degree] + - output degrees span the range [0, ..., max_degree] + + Partially fused TFN convolutions requirements: + * For fusing by output degree: + - all input channels are the same + - input degrees span the range [0, ..., max_degree] + * For fusing by input degree: + - all output channels are the same + - output degrees span the range [0, ..., max_degree] + + Original TFN pairwise convolutions: no requirements + """ + + FULL = 2 + PARTIAL = 1 + NONE = 0 + + +class RadialProfile(nn.Module): + """ + Radial profile function. + Outputs weights used to weigh basis matrices in order to get convolution kernels. + In TFN notation: $R^{l,k}$ + In SE(3)-Transformer notation: $\phi^{l,k}$ + + Note: + In the original papers, this function only depends on relative node distances ||x||. + Here, we allow this function to also take as input additional invariant edge features. + This does not break equivariance and adds expressive power to the model. + + Diagram: + invariant edge features (node distances included) ───> MLP layer (shared across edges) ───> radial weights + """ + + def __init__( + self, + num_freq: int, + channels_in: int, + channels_out: int, + edge_dim: int = 1, + mid_dim: int = 32, + use_layer_norm: bool = False + ): + """ + :param num_freq: Number of frequencies + :param channels_in: Number of input channels + :param channels_out: Number of output channels + :param edge_dim: Number of invariant edge features (input to the radial function) + :param mid_dim: Size of the hidden MLP layers + :param use_layer_norm: Apply layer normalization between MLP layers + """ + super().__init__() + modules = [ + nn.Linear(edge_dim, mid_dim), + nn.LayerNorm(mid_dim) if use_layer_norm else None, + nn.ReLU(), + nn.Linear(mid_dim, mid_dim), + nn.LayerNorm(mid_dim) if use_layer_norm else None, + nn.ReLU(), + nn.Linear(mid_dim, num_freq * channels_in * channels_out, bias=False) + ] + + self.net = nn.Sequential(*[m for m in modules if m is not None]) + + def forward(self, features: Tensor) -> Tensor: + return self.net(features) + + +class VersatileConvSE3(nn.Module): + """ + Building block for TFN convolutions. + This single module can be used for fully fused convolutions, partially fused convolutions, or pairwise convolutions. + """ + + def __init__(self, + freq_sum: int, + channels_in: int, + channels_out: int, + edge_dim: int, + use_layer_norm: bool, + fuse_level: ConvSE3FuseLevel): + super().__init__() + self.freq_sum = freq_sum + self.channels_out = channels_out + self.channels_in = channels_in + self.fuse_level = fuse_level + self.radial_func = RadialProfile(num_freq=freq_sum, + channels_in=channels_in, + channels_out=channels_out, + edge_dim=edge_dim, + use_layer_norm=use_layer_norm) + + def forward(self, features: Tensor, invariant_edge_feats: Tensor, basis: Tensor): + with nvtx_range(f'VersatileConvSE3'): + num_edges = features.shape[0] + in_dim = features.shape[2] + with nvtx_range(f'RadialProfile'): + radial_weights = self.radial_func(invariant_edge_feats) \ + .view(-1, self.channels_out, self.channels_in * self.freq_sum) + + if basis is not None: + # This block performs the einsum n i l, n o i f, n l f k -> n o k + out_dim = basis.shape[-1] + if self.fuse_level != ConvSE3FuseLevel.FULL: + out_dim += out_dim % 2 - 1 # Account for padded basis + basis_view = basis.view(num_edges, in_dim, -1) + tmp = (features @ basis_view).view(num_edges, -1, basis.shape[-1]) + return (radial_weights @ tmp)[:, :, :out_dim] + else: + # k = l = 0 non-fused case + return radial_weights @ features + + +class ConvSE3(nn.Module): + """ + SE(3)-equivariant graph convolution (Tensor Field Network convolution). + This convolution can map an arbitrary input Fiber to an arbitrary output Fiber, while preserving equivariance. + Features of different degrees interact together to produce output features. + + Note 1: + The option is given to not pool the output. This means that the convolution sum over neighbors will not be + done, and the returned features will be edge features instead of node features. + + Note 2: + Unlike the original paper and implementation, this convolution can handle edge feature of degree greater than 0. + Input edge features are concatenated with input source node features before the kernel is applied. + """ + + def __init__( + self, + fiber_in: Fiber, + fiber_out: Fiber, + fiber_edge: Fiber, + pool: bool = True, + use_layer_norm: bool = False, + self_interaction: bool = False, + max_degree: int = 4, + fuse_level: ConvSE3FuseLevel = ConvSE3FuseLevel.FULL, + allow_fused_output: bool = False + ): + """ + :param fiber_in: Fiber describing the input features + :param fiber_out: Fiber describing the output features + :param fiber_edge: Fiber describing the edge features (node distances excluded) + :param pool: If True, compute final node features by averaging incoming edge features + :param use_layer_norm: Apply layer normalization between MLP layers + :param self_interaction: Apply self-interaction of nodes + :param max_degree: Maximum degree used in the bases computation + :param fuse_level: Maximum fuse level to use in TFN convolutions + :param allow_fused_output: Allow the module to output a fused representation of features + """ + super().__init__() + self.pool = pool + self.fiber_in = fiber_in + self.fiber_out = fiber_out + self.self_interaction = self_interaction + self.max_degree = max_degree + self.allow_fused_output = allow_fused_output + + # channels_in: account for the concatenation of edge features + channels_in_set = set([f.channels + fiber_edge[f.degree] * (f.degree > 0) for f in self.fiber_in]) + channels_out_set = set([f.channels for f in self.fiber_out]) + unique_channels_in = (len(channels_in_set) == 1) + unique_channels_out = (len(channels_out_set) == 1) + degrees_up_to_max = list(range(max_degree + 1)) + common_args = dict(edge_dim=fiber_edge[0] + 1, use_layer_norm=use_layer_norm) + + if fuse_level.value >= ConvSE3FuseLevel.FULL.value and \ + unique_channels_in and fiber_in.degrees == degrees_up_to_max and \ + unique_channels_out and fiber_out.degrees == degrees_up_to_max: + # Single fused convolution + self.used_fuse_level = ConvSE3FuseLevel.FULL + + sum_freq = sum([ + degree_to_dim(min(d_in, d_out)) + for d_in, d_out in product(degrees_up_to_max, degrees_up_to_max) + ]) + + self.conv = VersatileConvSE3(sum_freq, list(channels_in_set)[0], list(channels_out_set)[0], + fuse_level=self.used_fuse_level, **common_args) + + elif fuse_level.value >= ConvSE3FuseLevel.PARTIAL.value and \ + unique_channels_in and fiber_in.degrees == degrees_up_to_max: + # Convolutions fused per output degree + self.used_fuse_level = ConvSE3FuseLevel.PARTIAL + self.conv_out = nn.ModuleDict() + for d_out, c_out in fiber_out: + sum_freq = sum([degree_to_dim(min(d_out, d)) for d in fiber_in.degrees]) + self.conv_out[str(d_out)] = VersatileConvSE3(sum_freq, list(channels_in_set)[0], c_out, + fuse_level=self.used_fuse_level, **common_args) + + elif fuse_level.value >= ConvSE3FuseLevel.PARTIAL.value and \ + unique_channels_out and fiber_out.degrees == degrees_up_to_max: + # Convolutions fused per input degree + self.used_fuse_level = ConvSE3FuseLevel.PARTIAL + self.conv_in = nn.ModuleDict() + for d_in, c_in in fiber_in: + sum_freq = sum([degree_to_dim(min(d_in, d)) for d in fiber_out.degrees]) + self.conv_in[str(d_in)] = VersatileConvSE3(sum_freq, c_in, list(channels_out_set)[0], + fuse_level=ConvSE3FuseLevel.FULL, **common_args) + #fuse_level=self.used_fuse_level, **common_args) + else: + # Use pairwise TFN convolutions + self.used_fuse_level = ConvSE3FuseLevel.NONE + self.conv = nn.ModuleDict() + for (degree_in, channels_in), (degree_out, channels_out) in (self.fiber_in * self.fiber_out): + dict_key = f'{degree_in},{degree_out}' + channels_in_new = channels_in + fiber_edge[degree_in] * (degree_in > 0) + sum_freq = degree_to_dim(min(degree_in, degree_out)) + self.conv[dict_key] = VersatileConvSE3(sum_freq, channels_in_new, channels_out, + fuse_level=self.used_fuse_level, **common_args) + + if self_interaction: + self.to_kernel_self = nn.ParameterDict() + for degree_out, channels_out in fiber_out: + if fiber_in[degree_out]: + self.to_kernel_self[str(degree_out)] = nn.Parameter( + torch.randn(channels_out, fiber_in[degree_out]) / np.sqrt(fiber_in[degree_out])) + + def forward( + self, + node_feats: Dict[str, Tensor], + edge_feats: Dict[str, Tensor], + graph: DGLGraph, + basis: Dict[str, Tensor] + ): + with nvtx_range(f'ConvSE3'): + invariant_edge_feats = edge_feats['0'].squeeze(-1) + src, dst = graph.edges() + out = {} + in_features = [] + + # Fetch all input features from edge and node features + for degree_in in self.fiber_in.degrees: + src_node_features = node_feats[str(degree_in)][src] + if degree_in > 0 and str(degree_in) in edge_feats: + # Handle edge features of any type by concatenating them to node features + src_node_features = torch.cat([src_node_features, edge_feats[str(degree_in)]], dim=1) + in_features.append(src_node_features) + + if self.used_fuse_level == ConvSE3FuseLevel.FULL: + in_features_fused = torch.cat(in_features, dim=-1) + out = self.conv(in_features_fused, invariant_edge_feats, basis['fully_fused']) + + if not self.allow_fused_output or self.self_interaction or self.pool: + out = unfuse_features(out, self.fiber_out.degrees) + + elif self.used_fuse_level == ConvSE3FuseLevel.PARTIAL and hasattr(self, 'conv_out'): + in_features_fused = torch.cat(in_features, dim=-1) + for degree_out in self.fiber_out.degrees: + out[str(degree_out)] = self.conv_out[str(degree_out)](in_features_fused, invariant_edge_feats, + basis[f'out{degree_out}_fused']) + + elif self.used_fuse_level == ConvSE3FuseLevel.PARTIAL and hasattr(self, 'conv_in'): + out = 0 + for degree_in, feature in zip(self.fiber_in.degrees, in_features): + out += self.conv_in[str(degree_in)](feature, invariant_edge_feats, + basis[f'in{degree_in}_fused']) + if not self.allow_fused_output or self.self_interaction or self.pool: + out = unfuse_features(out, self.fiber_out.degrees) + else: + # Fallback to pairwise TFN convolutions + for degree_out in self.fiber_out.degrees: + out_feature = 0 + for degree_in, feature in zip(self.fiber_in.degrees, in_features): + dict_key = f'{degree_in},{degree_out}' + out_feature = out_feature + self.conv[dict_key](feature, invariant_edge_feats, + basis.get(dict_key, None)) + out[str(degree_out)] = out_feature + + for degree_out in self.fiber_out.degrees: + if self.self_interaction and str(degree_out) in self.to_kernel_self: + with nvtx_range(f'self interaction'): + dst_features = node_feats[str(degree_out)][dst] + kernel_self = self.to_kernel_self[str(degree_out)] + out[str(degree_out)] += kernel_self @ dst_features + + if self.pool: + with nvtx_range(f'pooling'): + if isinstance(out, dict): + out[str(degree_out)] = dgl.ops.copy_e_sum(graph, out[str(degree_out)]) + else: + out = dgl.ops.copy_e_sum(graph, out) + return out diff --git a/RFdiffusion/env/SE3Transformer/se3_transformer/model/layers/linear.py b/RFdiffusion/env/SE3Transformer/se3_transformer/model/layers/linear.py new file mode 100644 index 0000000000000000000000000000000000000000..f720d77ecc540423a6a6545f9e50c117ad1c08db --- /dev/null +++ b/RFdiffusion/env/SE3Transformer/se3_transformer/model/layers/linear.py @@ -0,0 +1,59 @@ +# Copyright (c) 2021, NVIDIA CORPORATION & AFFILIATES. All rights reserved. +# +# Permission is hereby granted, free of charge, to any person obtaining a +# copy of this software and associated documentation files (the "Software"), +# to deal in the Software without restriction, including without limitation +# the rights to use, copy, modify, merge, publish, distribute, sublicense, +# and/or sell copies of the Software, and to permit persons to whom the +# Software is furnished to do so, subject to the following conditions: +# +# The above copyright notice and this permission notice shall be included in +# all copies or substantial portions of the Software. +# +# THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR +# IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, +# FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL +# THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER +# LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING +# FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER +# DEALINGS IN THE SOFTWARE. +# +# SPDX-FileCopyrightText: Copyright (c) 2021 NVIDIA CORPORATION & AFFILIATES +# SPDX-License-Identifier: MIT + + +from typing import Dict + +import numpy as np +import torch +import torch.nn as nn +from torch import Tensor + +from se3_transformer.model.fiber import Fiber + + +class LinearSE3(nn.Module): + """ + Graph Linear SE(3)-equivariant layer, equivalent to a 1x1 convolution. + Maps a fiber to a fiber with the same degrees (channels may be different). + No interaction between degrees, but interaction between channels. + + type-0 features (C_0 channels) ────> Linear(bias=False) ────> type-0 features (C'_0 channels) + type-1 features (C_1 channels) ────> Linear(bias=False) ────> type-1 features (C'_1 channels) + : + type-k features (C_k channels) ────> Linear(bias=False) ────> type-k features (C'_k channels) + """ + + def __init__(self, fiber_in: Fiber, fiber_out: Fiber): + super().__init__() + self.weights = nn.ParameterDict({ + str(degree_out): nn.Parameter( + torch.randn(channels_out, fiber_in[degree_out]) / np.sqrt(fiber_in[degree_out])) + for degree_out, channels_out in fiber_out + }) + + def forward(self, features: Dict[str, Tensor], *args, **kwargs) -> Dict[str, Tensor]: + return { + degree: self.weights[degree] @ features[degree] + for degree, weight in self.weights.items() + } diff --git a/RFdiffusion/env/SE3Transformer/se3_transformer/model/layers/norm.py b/RFdiffusion/env/SE3Transformer/se3_transformer/model/layers/norm.py new file mode 100644 index 0000000000000000000000000000000000000000..acbe23d774d50c26e22a60336a3d05b66a164eb3 --- /dev/null +++ b/RFdiffusion/env/SE3Transformer/se3_transformer/model/layers/norm.py @@ -0,0 +1,83 @@ +# Copyright (c) 2021, NVIDIA CORPORATION & AFFILIATES. All rights reserved. +# +# Permission is hereby granted, free of charge, to any person obtaining a +# copy of this software and associated documentation files (the "Software"), +# to deal in the Software without restriction, including without limitation +# the rights to use, copy, modify, merge, publish, distribute, sublicense, +# and/or sell copies of the Software, and to permit persons to whom the +# Software is furnished to do so, subject to the following conditions: +# +# The above copyright notice and this permission notice shall be included in +# all copies or substantial portions of the Software. +# +# THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR +# IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, +# FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL +# THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER +# LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING +# FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER +# DEALINGS IN THE SOFTWARE. +# +# SPDX-FileCopyrightText: Copyright (c) 2021 NVIDIA CORPORATION & AFFILIATES +# SPDX-License-Identifier: MIT + + +from typing import Dict + +import torch +import torch.nn as nn +from torch import Tensor +from torch.cuda.nvtx import range as nvtx_range + +from se3_transformer.model.fiber import Fiber + + +class NormSE3(nn.Module): + """ + Norm-based SE(3)-equivariant nonlinearity. + + ┌──> feature_norm ──> LayerNorm() ──> ReLU() ──┐ + feature_in ──┤ * ──> feature_out + └──> feature_phase ────────────────────────────┘ + """ + + NORM_CLAMP = 2 ** -24 # Minimum positive subnormal for FP16 + + def __init__(self, fiber: Fiber, nonlinearity: nn.Module = nn.ReLU()): + super().__init__() + self.fiber = fiber + self.nonlinearity = nonlinearity + + if len(set(fiber.channels)) == 1: + # Fuse all the layer normalizations into a group normalization + self.group_norm = nn.GroupNorm(num_groups=len(fiber.degrees), num_channels=sum(fiber.channels)) + else: + # Use multiple layer normalizations + self.layer_norms = nn.ModuleDict({ + str(degree): nn.LayerNorm(channels) + for degree, channels in fiber + }) + + def forward(self, features: Dict[str, Tensor], *args, **kwargs) -> Dict[str, Tensor]: + with nvtx_range('NormSE3'): + output = {} + if hasattr(self, 'group_norm'): + # Compute per-degree norms of features + norms = [features[str(d)].norm(dim=-1, keepdim=True).clamp(min=self.NORM_CLAMP) + for d in self.fiber.degrees] + fused_norms = torch.cat(norms, dim=-2) + + # Transform the norms only + new_norms = self.nonlinearity(self.group_norm(fused_norms.squeeze(-1))).unsqueeze(-1) + new_norms = torch.chunk(new_norms, chunks=len(self.fiber.degrees), dim=-2) + + # Scale features to the new norms + for norm, new_norm, d in zip(norms, new_norms, self.fiber.degrees): + output[str(d)] = features[str(d)] / norm * new_norm + else: + for degree, feat in features.items(): + norm = feat.norm(dim=-1, keepdim=True).clamp(min=self.NORM_CLAMP) + new_norm = self.nonlinearity(self.layer_norms[degree](norm.squeeze(-1)).unsqueeze(-1)) + output[degree] = new_norm * feat / norm + + return output diff --git a/RFdiffusion/env/SE3Transformer/se3_transformer/model/layers/pooling.py b/RFdiffusion/env/SE3Transformer/se3_transformer/model/layers/pooling.py new file mode 100644 index 0000000000000000000000000000000000000000..e42c5383ba3239e3d93c928fa83a61a9e19b9437 --- /dev/null +++ b/RFdiffusion/env/SE3Transformer/se3_transformer/model/layers/pooling.py @@ -0,0 +1,53 @@ +# Copyright (c) 2021, NVIDIA CORPORATION & AFFILIATES. All rights reserved. +# +# Permission is hereby granted, free of charge, to any person obtaining a +# copy of this software and associated documentation files (the "Software"), +# to deal in the Software without restriction, including without limitation +# the rights to use, copy, modify, merge, publish, distribute, sublicense, +# and/or sell copies of the Software, and to permit persons to whom the +# Software is furnished to do so, subject to the following conditions: +# +# The above copyright notice and this permission notice shall be included in +# all copies or substantial portions of the Software. +# +# THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR +# IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, +# FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL +# THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER +# LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING +# FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER +# DEALINGS IN THE SOFTWARE. +# +# SPDX-FileCopyrightText: Copyright (c) 2021 NVIDIA CORPORATION & AFFILIATES +# SPDX-License-Identifier: MIT + +from typing import Dict, Literal + +import torch.nn as nn +from dgl import DGLGraph +from dgl.nn.pytorch import AvgPooling, MaxPooling +from torch import Tensor + + +class GPooling(nn.Module): + """ + Graph max/average pooling on a given feature type. + The average can be taken for any feature type, and equivariance will be maintained. + The maximum can only be taken for invariant features (type 0). + If you want max-pooling for type > 0 features, look into Vector Neurons. + """ + + def __init__(self, feat_type: int = 0, pool: Literal['max', 'avg'] = 'max'): + """ + :param feat_type: Feature type to pool + :param pool: Type of pooling: max or avg + """ + super().__init__() + assert pool in ['max', 'avg'], f'Unknown pooling: {pool}' + assert feat_type == 0 or pool == 'avg', 'Max pooling on type > 0 features will break equivariance' + self.feat_type = feat_type + self.pool = MaxPooling() if pool == 'max' else AvgPooling() + + def forward(self, features: Dict[str, Tensor], graph: DGLGraph, **kwargs) -> Tensor: + pooled = self.pool(graph, features[str(self.feat_type)]) + return pooled.squeeze(dim=-1) diff --git a/RFdiffusion/env/SE3Transformer/se3_transformer/model/transformer.py b/RFdiffusion/env/SE3Transformer/se3_transformer/model/transformer.py new file mode 100644 index 0000000000000000000000000000000000000000..ab89f77a12b8b40b16c402647059260606c98c60 --- /dev/null +++ b/RFdiffusion/env/SE3Transformer/se3_transformer/model/transformer.py @@ -0,0 +1,222 @@ +# Copyright (c) 2021, NVIDIA CORPORATION & AFFILIATES. All rights reserved. +# +# Permission is hereby granted, free of charge, to any person obtaining a +# copy of this software and associated documentation files (the "Software"), +# to deal in the Software without restriction, including without limitation +# the rights to use, copy, modify, merge, publish, distribute, sublicense, +# and/or sell copies of the Software, and to permit persons to whom the +# Software is furnished to do so, subject to the following conditions: +# +# The above copyright notice and this permission notice shall be included in +# all copies or substantial portions of the Software. +# +# THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR +# IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, +# FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL +# THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER +# LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING +# FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER +# DEALINGS IN THE SOFTWARE. +# +# SPDX-FileCopyrightText: Copyright (c) 2021 NVIDIA CORPORATION & AFFILIATES +# SPDX-License-Identifier: MIT + +import logging +from typing import Optional, Literal, Dict + +import torch +import torch.nn as nn +from dgl import DGLGraph +from torch import Tensor + +from se3_transformer.model.basis import get_basis, update_basis_with_fused +from se3_transformer.model.layers.attention import AttentionBlockSE3 +from se3_transformer.model.layers.convolution import ConvSE3, ConvSE3FuseLevel +from se3_transformer.model.layers.norm import NormSE3 +from se3_transformer.model.layers.pooling import GPooling +from se3_transformer.runtime.utils import str2bool +from se3_transformer.model.fiber import Fiber + + +class Sequential(nn.Sequential): + """ Sequential module with arbitrary forward args and kwargs. Used to pass graph, basis and edge features. """ + + def forward(self, input, *args, **kwargs): + for module in self: + input = module(input, *args, **kwargs) + return input + + +def get_populated_edge_features(relative_pos: Tensor, edge_features: Optional[Dict[str, Tensor]] = None): + """ Add relative positions to existing edge features """ + edge_features = edge_features.copy() if edge_features else {} + r = relative_pos.norm(dim=-1, keepdim=True) + if '0' in edge_features: + edge_features['0'] = torch.cat([edge_features['0'], r[..., None]], dim=1) + else: + edge_features['0'] = r[..., None] + + return edge_features + + +class SE3Transformer(nn.Module): + def __init__(self, + num_layers: int, + fiber_in: Fiber, + fiber_hidden: Fiber, + fiber_out: Fiber, + num_heads: int, + channels_div: int, + fiber_edge: Fiber = Fiber({}), + return_type: Optional[int] = None, + pooling: Optional[Literal['avg', 'max']] = None, + norm: bool = True, + use_layer_norm: bool = True, + tensor_cores: bool = False, + low_memory: bool = False, + **kwargs): + """ + :param num_layers: Number of attention layers + :param fiber_in: Input fiber description + :param fiber_hidden: Hidden fiber description + :param fiber_out: Output fiber description + :param fiber_edge: Input edge fiber description + :param num_heads: Number of attention heads + :param channels_div: Channels division before feeding to attention layer + :param return_type: Return only features of this type + :param pooling: 'avg' or 'max' graph pooling before MLP layers + :param norm: Apply a normalization layer after each attention block + :param use_layer_norm: Apply layer normalization between MLP layers + :param tensor_cores: True if using Tensor Cores (affects the use of fully fused convs, and padded bases) + :param low_memory: If True, will use slower ops that use less memory + """ + super().__init__() + self.num_layers = num_layers + self.fiber_edge = fiber_edge + self.num_heads = num_heads + self.channels_div = channels_div + self.return_type = return_type + self.pooling = pooling + self.max_degree = max(*fiber_in.degrees, *fiber_hidden.degrees, *fiber_out.degrees) + self.tensor_cores = tensor_cores + self.low_memory = low_memory + + if low_memory and not tensor_cores: + logging.warning('Low memory mode will have no effect with no Tensor Cores') + + # Fully fused convolutions when using Tensor Cores (and not low memory mode) + fuse_level = ConvSE3FuseLevel.FULL if tensor_cores and not low_memory else ConvSE3FuseLevel.PARTIAL + + graph_modules = [] + for i in range(num_layers): + graph_modules.append(AttentionBlockSE3(fiber_in=fiber_in, + fiber_out=fiber_hidden, + fiber_edge=fiber_edge, + num_heads=num_heads, + channels_div=channels_div, + use_layer_norm=use_layer_norm, + max_degree=self.max_degree, + fuse_level=fuse_level)) + if norm: + graph_modules.append(NormSE3(fiber_hidden)) + fiber_in = fiber_hidden + + graph_modules.append(ConvSE3(fiber_in=fiber_in, + fiber_out=fiber_out, + fiber_edge=fiber_edge, + self_interaction=True, + use_layer_norm=use_layer_norm, + max_degree=self.max_degree)) + self.graph_modules = Sequential(*graph_modules) + + if pooling is not None: + assert return_type is not None, 'return_type must be specified when pooling' + self.pooling_module = GPooling(pool=pooling, feat_type=return_type) + + def forward(self, graph: DGLGraph, node_feats: Dict[str, Tensor], + edge_feats: Optional[Dict[str, Tensor]] = None, + basis: Optional[Dict[str, Tensor]] = None): + # Compute bases in case they weren't precomputed as part of the data loading + basis = basis or get_basis(graph.edata['rel_pos'], max_degree=self.max_degree, compute_gradients=False, + use_pad_trick=self.tensor_cores and not self.low_memory, + amp=torch.is_autocast_enabled()) + + # Add fused bases (per output degree, per input degree, and fully fused) to the dict + basis = update_basis_with_fused(basis, self.max_degree, use_pad_trick=self.tensor_cores and not self.low_memory, + fully_fused=self.tensor_cores and not self.low_memory) + + edge_feats = get_populated_edge_features(graph.edata['rel_pos'], edge_feats) + + node_feats = self.graph_modules(node_feats, edge_feats, graph=graph, basis=basis) + + if self.pooling is not None: + return self.pooling_module(node_feats, graph=graph) + + if self.return_type is not None: + return node_feats[str(self.return_type)] + + return node_feats + + @staticmethod + def add_argparse_args(parser): + parser.add_argument('--num_layers', type=int, default=7, + help='Number of stacked Transformer layers') + parser.add_argument('--num_heads', type=int, default=8, + help='Number of heads in self-attention') + parser.add_argument('--channels_div', type=int, default=2, + help='Channels division before feeding to attention layer') + parser.add_argument('--pooling', type=str, default=None, const=None, nargs='?', choices=['max', 'avg'], + help='Type of graph pooling') + parser.add_argument('--norm', type=str2bool, nargs='?', const=True, default=False, + help='Apply a normalization layer after each attention block') + parser.add_argument('--use_layer_norm', type=str2bool, nargs='?', const=True, default=False, + help='Apply layer normalization between MLP layers') + parser.add_argument('--low_memory', type=str2bool, nargs='?', const=True, default=False, + help='If true, will use fused ops that are slower but that use less memory ' + '(expect 25 percent less memory). ' + 'Only has an effect if AMP is enabled on Volta GPUs, or if running on Ampere GPUs') + + return parser + + +class SE3TransformerPooled(nn.Module): + def __init__(self, + fiber_in: Fiber, + fiber_out: Fiber, + fiber_edge: Fiber, + num_degrees: int, + num_channels: int, + output_dim: int, + **kwargs): + super().__init__() + kwargs['pooling'] = kwargs['pooling'] or 'max' + self.transformer = SE3Transformer( + fiber_in=fiber_in, + fiber_hidden=Fiber.create(num_degrees, num_channels), + fiber_out=fiber_out, + fiber_edge=fiber_edge, + return_type=0, + **kwargs + ) + + n_out_features = fiber_out.num_features + self.mlp = nn.Sequential( + nn.Linear(n_out_features, n_out_features), + nn.ReLU(), + nn.Linear(n_out_features, output_dim) + ) + + def forward(self, graph, node_feats, edge_feats, basis=None): + feats = self.transformer(graph, node_feats, edge_feats, basis).squeeze(-1) + y = self.mlp(feats).squeeze(-1) + return y + + @staticmethod + def add_argparse_args(parent_parser): + parser = parent_parser.add_argument_group("Model architecture") + SE3Transformer.add_argparse_args(parser) + parser.add_argument('--num_degrees', + help='Number of degrees to use. Hidden features will have types [0, ..., num_degrees - 1]', + type=int, default=4) + parser.add_argument('--num_channels', help='Number of channels for the hidden features', type=int, default=32) + return parent_parser diff --git a/RFdiffusion/env/SE3Transformer/se3_transformer/runtime/__init__.py b/RFdiffusion/env/SE3Transformer/se3_transformer/runtime/__init__.py new file mode 100644 index 0000000000000000000000000000000000000000..e69de29bb2d1d6434b8b29ae775ad8c2e48c5391 diff --git a/RFdiffusion/env/SE3Transformer/se3_transformer/runtime/arguments.py b/RFdiffusion/env/SE3Transformer/se3_transformer/runtime/arguments.py new file mode 100644 index 0000000000000000000000000000000000000000..d35d5ee1d05a150ea40c411ec47c633213ca9d9f --- /dev/null +++ b/RFdiffusion/env/SE3Transformer/se3_transformer/runtime/arguments.py @@ -0,0 +1,70 @@ +# Copyright (c) 2021, NVIDIA CORPORATION & AFFILIATES. All rights reserved. +# +# Permission is hereby granted, free of charge, to any person obtaining a +# copy of this software and associated documentation files (the "Software"), +# to deal in the Software without restriction, including without limitation +# the rights to use, copy, modify, merge, publish, distribute, sublicense, +# and/or sell copies of the Software, and to permit persons to whom the +# Software is furnished to do so, subject to the following conditions: +# +# The above copyright notice and this permission notice shall be included in +# all copies or substantial portions of the Software. +# +# THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR +# IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, +# FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL +# THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER +# LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING +# FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER +# DEALINGS IN THE SOFTWARE. +# +# SPDX-FileCopyrightText: Copyright (c) 2021 NVIDIA CORPORATION & AFFILIATES +# SPDX-License-Identifier: MIT + +import argparse +import pathlib + +from se3_transformer.data_loading import QM9DataModule +from se3_transformer.model import SE3TransformerPooled +from se3_transformer.runtime.utils import str2bool + +PARSER = argparse.ArgumentParser(description='SE(3)-Transformer') + +paths = PARSER.add_argument_group('Paths') +paths.add_argument('--data_dir', type=pathlib.Path, default=pathlib.Path('./data'), + help='Directory where the data is located or should be downloaded') +paths.add_argument('--log_dir', type=pathlib.Path, default=pathlib.Path('/results'), + help='Directory where the results logs should be saved') +paths.add_argument('--dllogger_name', type=str, default='dllogger_results.json', + help='Name for the resulting DLLogger JSON file') +paths.add_argument('--save_ckpt_path', type=pathlib.Path, default=None, + help='File where the checkpoint should be saved') +paths.add_argument('--load_ckpt_path', type=pathlib.Path, default=None, + help='File of the checkpoint to be loaded') + +optimizer = PARSER.add_argument_group('Optimizer') +optimizer.add_argument('--optimizer', choices=['adam', 'sgd', 'lamb'], default='adam') +optimizer.add_argument('--learning_rate', '--lr', dest='learning_rate', type=float, default=0.002) +optimizer.add_argument('--min_learning_rate', '--min_lr', dest='min_learning_rate', type=float, default=None) +optimizer.add_argument('--momentum', type=float, default=0.9) +optimizer.add_argument('--weight_decay', type=float, default=0.1) + +PARSER.add_argument('--epochs', type=int, default=100, help='Number of training epochs') +PARSER.add_argument('--batch_size', type=int, default=240, help='Batch size') +PARSER.add_argument('--seed', type=int, default=None, help='Set a seed globally') +PARSER.add_argument('--num_workers', type=int, default=8, help='Number of dataloading workers') + +PARSER.add_argument('--amp', type=str2bool, nargs='?', const=True, default=False, help='Use Automatic Mixed Precision') +PARSER.add_argument('--gradient_clip', type=float, default=None, help='Clipping of the gradient norms') +PARSER.add_argument('--accumulate_grad_batches', type=int, default=1, help='Gradient accumulation') +PARSER.add_argument('--ckpt_interval', type=int, default=-1, help='Save a checkpoint every N epochs') +PARSER.add_argument('--eval_interval', dest='eval_interval', type=int, default=1, + help='Do an evaluation round every N epochs') +PARSER.add_argument('--silent', type=str2bool, nargs='?', const=True, default=False, + help='Minimize stdout output') + +PARSER.add_argument('--benchmark', type=str2bool, nargs='?', const=True, default=False, + help='Benchmark mode') + +QM9DataModule.add_argparse_args(PARSER) +SE3TransformerPooled.add_argparse_args(PARSER) diff --git a/RFdiffusion/env/SE3Transformer/se3_transformer/runtime/callbacks.py b/RFdiffusion/env/SE3Transformer/se3_transformer/runtime/callbacks.py new file mode 100644 index 0000000000000000000000000000000000000000..b49d670c8305b3c4dea53ebf5c428cac628f2cf7 --- /dev/null +++ b/RFdiffusion/env/SE3Transformer/se3_transformer/runtime/callbacks.py @@ -0,0 +1,160 @@ +# Copyright (c) 2021, NVIDIA CORPORATION & AFFILIATES. All rights reserved. +# +# Permission is hereby granted, free of charge, to any person obtaining a +# copy of this software and associated documentation files (the "Software"), +# to deal in the Software without restriction, including without limitation +# the rights to use, copy, modify, merge, publish, distribute, sublicense, +# and/or sell copies of the Software, and to permit persons to whom the +# Software is furnished to do so, subject to the following conditions: +# +# The above copyright notice and this permission notice shall be included in +# all copies or substantial portions of the Software. +# +# THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR +# IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, +# FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL +# THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER +# LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING +# FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER +# DEALINGS IN THE SOFTWARE. +# +# SPDX-FileCopyrightText: Copyright (c) 2021 NVIDIA CORPORATION & AFFILIATES +# SPDX-License-Identifier: MIT + +import logging +import time +from abc import ABC, abstractmethod +from typing import Optional + +import numpy as np +import torch + +from se3_transformer.runtime.loggers import Logger +from se3_transformer.runtime.metrics import MeanAbsoluteError + + +class BaseCallback(ABC): + def on_fit_start(self, optimizer, args): + pass + + def on_fit_end(self): + pass + + def on_epoch_end(self): + pass + + def on_batch_start(self): + pass + + def on_validation_step(self, input, target, pred): + pass + + def on_validation_end(self, epoch=None): + pass + + def on_checkpoint_load(self, checkpoint): + pass + + def on_checkpoint_save(self, checkpoint): + pass + + +class LRSchedulerCallback(BaseCallback): + def __init__(self, logger: Optional[Logger] = None): + self.logger = logger + self.scheduler = None + + @abstractmethod + def get_scheduler(self, optimizer, args): + pass + + def on_fit_start(self, optimizer, args): + self.scheduler = self.get_scheduler(optimizer, args) + + def on_checkpoint_load(self, checkpoint): + self.scheduler.load_state_dict(checkpoint['scheduler_state_dict']) + + def on_checkpoint_save(self, checkpoint): + checkpoint['scheduler_state_dict'] = self.scheduler.state_dict() + + def on_epoch_end(self): + if self.logger is not None: + self.logger.log_metrics({'learning rate': self.scheduler.get_last_lr()[0]}, step=self.scheduler.last_epoch) + self.scheduler.step() + + +class QM9MetricCallback(BaseCallback): + """ Logs the rescaled mean absolute error for QM9 regression tasks """ + + def __init__(self, logger, targets_std, prefix=''): + self.mae = MeanAbsoluteError() + self.logger = logger + self.targets_std = targets_std + self.prefix = prefix + self.best_mae = float('inf') + + def on_validation_step(self, input, target, pred): + self.mae(pred.detach(), target.detach()) + + def on_validation_end(self, epoch=None): + mae = self.mae.compute() * self.targets_std + logging.info(f'{self.prefix} MAE: {mae}') + self.logger.log_metrics({f'{self.prefix} MAE': mae}, epoch) + self.best_mae = min(self.best_mae, mae) + + def on_fit_end(self): + if self.best_mae != float('inf'): + self.logger.log_metrics({f'{self.prefix} best MAE': self.best_mae}) + + +class QM9LRSchedulerCallback(LRSchedulerCallback): + def __init__(self, logger, epochs): + super().__init__(logger) + self.epochs = epochs + + def get_scheduler(self, optimizer, args): + min_lr = args.min_learning_rate if args.min_learning_rate else args.learning_rate / 10.0 + return torch.optim.lr_scheduler.CosineAnnealingWarmRestarts(optimizer, self.epochs, eta_min=min_lr) + + +class PerformanceCallback(BaseCallback): + def __init__(self, logger, batch_size: int, warmup_epochs: int = 1, mode: str = 'train'): + self.batch_size = batch_size + self.warmup_epochs = warmup_epochs + self.epoch = 0 + self.timestamps = [] + self.mode = mode + self.logger = logger + + def on_batch_start(self): + if self.epoch >= self.warmup_epochs: + self.timestamps.append(time.time() * 1000.0) + + def _log_perf(self): + stats = self.process_performance_stats() + for k, v in stats.items(): + logging.info(f'performance {k}: {v}') + + self.logger.log_metrics(stats) + + def on_epoch_end(self): + self.epoch += 1 + + def on_fit_end(self): + if self.epoch > self.warmup_epochs: + self._log_perf() + self.timestamps = [] + + def process_performance_stats(self): + timestamps = np.asarray(self.timestamps) + deltas = np.diff(timestamps) + throughput = (self.batch_size / deltas).mean() + stats = { + f"throughput_{self.mode}": throughput, + f"latency_{self.mode}_mean": deltas.mean(), + f"total_time_{self.mode}": timestamps[-1] - timestamps[0], + } + for level in [90, 95, 99]: + stats.update({f"latency_{self.mode}_{level}": np.percentile(deltas, level)}) + + return stats diff --git a/RFdiffusion/env/SE3Transformer/se3_transformer/runtime/gpu_affinity.py b/RFdiffusion/env/SE3Transformer/se3_transformer/runtime/gpu_affinity.py new file mode 100644 index 0000000000000000000000000000000000000000..9d46215bbbcb04f87e4c8250e08b575f8e529693 --- /dev/null +++ b/RFdiffusion/env/SE3Transformer/se3_transformer/runtime/gpu_affinity.py @@ -0,0 +1,325 @@ +# Copyright (c) 2021, NVIDIA CORPORATION & AFFILIATES. All rights reserved. +# +# Permission is hereby granted, free of charge, to any person obtaining a +# copy of this software and associated documentation files (the "Software"), +# to deal in the Software without restriction, including without limitation +# the rights to use, copy, modify, merge, publish, distribute, sublicense, +# and/or sell copies of the Software, and to permit persons to whom the +# Software is furnished to do so, subject to the following conditions: +# +# The above copyright notice and this permission notice shall be included in +# all copies or substantial portions of the Software. +# +# THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR +# IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, +# FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL +# THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER +# LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING +# FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER +# DEALINGS IN THE SOFTWARE. +# +# SPDX-FileCopyrightText: Copyright (c) 2021 NVIDIA CORPORATION & AFFILIATES +# SPDX-License-Identifier: MIT + +import collections +import itertools +import math +import os +import pathlib +import re + +import pynvml + + +class Device: + # assumes nvml returns list of 64 bit ints + _nvml_affinity_elements = math.ceil(os.cpu_count() / 64) + + def __init__(self, device_idx): + super().__init__() + self.handle = pynvml.nvmlDeviceGetHandleByIndex(device_idx) + + def get_name(self): + return pynvml.nvmlDeviceGetName(self.handle) + + def get_uuid(self): + return pynvml.nvmlDeviceGetUUID(self.handle) + + def get_cpu_affinity(self): + affinity_string = "" + for j in pynvml.nvmlDeviceGetCpuAffinity(self.handle, Device._nvml_affinity_elements): + # assume nvml returns list of 64 bit ints + affinity_string = "{:064b}".format(j) + affinity_string + + affinity_list = [int(x) for x in affinity_string] + affinity_list.reverse() # so core 0 is in 0th element of list + + ret = [i for i, e in enumerate(affinity_list) if e != 0] + return ret + + +def get_thread_siblings_list(): + """ + Returns a list of 2-element integer tuples representing pairs of + hyperthreading cores. + """ + path = "/sys/devices/system/cpu/cpu*/topology/thread_siblings_list" + thread_siblings_list = [] + pattern = re.compile(r"(\d+)\D(\d+)") + for fname in pathlib.Path(path[0]).glob(path[1:]): + with open(fname) as f: + content = f.read().strip() + res = pattern.findall(content) + if res: + pair = tuple(map(int, res[0])) + thread_siblings_list.append(pair) + return thread_siblings_list + + +def check_socket_affinities(socket_affinities): + # sets of cores should be either identical or disjoint + for i, j in itertools.product(socket_affinities, socket_affinities): + if not set(i) == set(j) and not set(i).isdisjoint(set(j)): + raise RuntimeError(f"Sets of cores should be either identical or disjoint, " f"but got {i} and {j}.") + + +def get_socket_affinities(nproc_per_node, exclude_unavailable_cores=True): + devices = [Device(i) for i in range(nproc_per_node)] + socket_affinities = [dev.get_cpu_affinity() for dev in devices] + + if exclude_unavailable_cores: + available_cores = os.sched_getaffinity(0) + socket_affinities = [list(set(affinity) & available_cores) for affinity in socket_affinities] + + check_socket_affinities(socket_affinities) + + return socket_affinities + + +def set_socket_affinity(gpu_id): + """ + The process is assigned with all available logical CPU cores from the CPU + socket connected to the GPU with a given id. + + Args: + gpu_id: index of a GPU + """ + dev = Device(gpu_id) + affinity = dev.get_cpu_affinity() + os.sched_setaffinity(0, affinity) + + +def set_single_affinity(gpu_id): + """ + The process is assigned with the first available logical CPU core from the + list of all CPU cores from the CPU socket connected to the GPU with a given + id. + + Args: + gpu_id: index of a GPU + """ + dev = Device(gpu_id) + affinity = dev.get_cpu_affinity() + + # exclude unavailable cores + available_cores = os.sched_getaffinity(0) + affinity = list(set(affinity) & available_cores) + os.sched_setaffinity(0, affinity[:1]) + + +def set_single_unique_affinity(gpu_id, nproc_per_node): + """ + The process is assigned with a single unique available physical CPU core + from the list of all CPU cores from the CPU socket connected to the GPU with + a given id. + + Args: + gpu_id: index of a GPU + """ + socket_affinities = get_socket_affinities(nproc_per_node) + + siblings_list = get_thread_siblings_list() + siblings_dict = dict(siblings_list) + + # remove siblings + for idx, socket_affinity in enumerate(socket_affinities): + socket_affinities[idx] = list(set(socket_affinity) - set(siblings_dict.values())) + + affinities = [] + assigned = [] + + for socket_affinity in socket_affinities: + for core in socket_affinity: + if core not in assigned: + affinities.append([core]) + assigned.append(core) + break + os.sched_setaffinity(0, affinities[gpu_id]) + + +def set_socket_unique_affinity(gpu_id, nproc_per_node, mode, balanced=True): + """ + The process is assigned with an unique subset of available physical CPU + cores from the CPU socket connected to a GPU with a given id. + Assignment automatically includes hyperthreading siblings (if siblings are + available). + + Args: + gpu_id: index of a GPU + nproc_per_node: total number of processes per node + mode: mode + balanced: assign an equal number of physical cores to each process + """ + socket_affinities = get_socket_affinities(nproc_per_node) + + siblings_list = get_thread_siblings_list() + siblings_dict = dict(siblings_list) + + # remove hyperthreading siblings + for idx, socket_affinity in enumerate(socket_affinities): + socket_affinities[idx] = list(set(socket_affinity) - set(siblings_dict.values())) + + socket_affinities_to_device_ids = collections.defaultdict(list) + + for idx, socket_affinity in enumerate(socket_affinities): + socket_affinities_to_device_ids[tuple(socket_affinity)].append(idx) + + # compute minimal number of physical cores per GPU across all GPUs and + # sockets, code assigns this number of cores per GPU if balanced == True + min_physical_cores_per_gpu = min( + [len(cores) // len(gpus) for cores, gpus in socket_affinities_to_device_ids.items()] + ) + + for socket_affinity, device_ids in socket_affinities_to_device_ids.items(): + devices_per_group = len(device_ids) + if balanced: + cores_per_device = min_physical_cores_per_gpu + socket_affinity = socket_affinity[: devices_per_group * min_physical_cores_per_gpu] + else: + cores_per_device = len(socket_affinity) // devices_per_group + + for group_id, device_id in enumerate(device_ids): + if device_id == gpu_id: + + # In theory there should be no difference in performance between + # 'interleaved' and 'continuous' pattern on Intel-based DGX-1, + # but 'continuous' should be better for DGX A100 because on AMD + # Rome 4 consecutive cores are sharing L3 cache. + # TODO: code doesn't attempt to automatically detect layout of + # L3 cache, also external environment may already exclude some + # cores, this code makes no attempt to detect it and to align + # mapping to multiples of 4. + + if mode == "interleaved": + affinity = list(socket_affinity[group_id::devices_per_group]) + elif mode == "continuous": + affinity = list(socket_affinity[group_id * cores_per_device: (group_id + 1) * cores_per_device]) + else: + raise RuntimeError("Unknown set_socket_unique_affinity mode") + + # unconditionally reintroduce hyperthreading siblings, this step + # may result in a different numbers of logical cores assigned to + # each GPU even if balanced == True (if hyperthreading siblings + # aren't available for a subset of cores due to some external + # constraints, siblings are re-added unconditionally, in the + # worst case unavailable logical core will be ignored by + # os.sched_setaffinity(). + affinity += [siblings_dict[aff] for aff in affinity if aff in siblings_dict] + os.sched_setaffinity(0, affinity) + + +def set_affinity(gpu_id, nproc_per_node, mode="socket_unique_continuous", balanced=True): + """ + The process is assigned with a proper CPU affinity which matches hardware + architecture on a given platform. Usually it improves and stabilizes + performance of deep learning training workloads. + + This function assumes that the workload is running in multi-process + single-device mode (there are multiple training processes and each process + is running on a single GPU), which is typical for multi-GPU training + workloads using `torch.nn.parallel.DistributedDataParallel`. + + Available affinity modes: + * 'socket' - the process is assigned with all available logical CPU cores + from the CPU socket connected to the GPU with a given id. + * 'single' - the process is assigned with the first available logical CPU + core from the list of all CPU cores from the CPU socket connected to the GPU + with a given id (multiple GPUs could be assigned with the same CPU core). + * 'single_unique' - the process is assigned with a single unique available + physical CPU core from the list of all CPU cores from the CPU socket + connected to the GPU with a given id. + * 'socket_unique_interleaved' - the process is assigned with an unique + subset of available physical CPU cores from the CPU socket connected to a + GPU with a given id, hyperthreading siblings are included automatically, + cores are assigned with interleaved indexing pattern + * 'socket_unique_continuous' - (the default) the process is assigned with an + unique subset of available physical CPU cores from the CPU socket connected + to a GPU with a given id, hyperthreading siblings are included + automatically, cores are assigned with continuous indexing pattern + + 'socket_unique_continuous' is the recommended mode for deep learning + training workloads on NVIDIA DGX machines. + + Args: + gpu_id: integer index of a GPU + nproc_per_node: number of processes per node + mode: affinity mode + balanced: assign an equal number of physical cores to each process, + affects only 'socket_unique_interleaved' and + 'socket_unique_continuous' affinity modes + + Returns a set of logical CPU cores on which the process is eligible to run. + + Example: + + import argparse + import os + + import gpu_affinity + import torch + + + def main(): + parser = argparse.ArgumentParser() + parser.add_argument( + '--local_rank', + type=int, + default=os.getenv('LOCAL_RANK', 0), + ) + args = parser.parse_args() + + nproc_per_node = torch.cuda.device_count() + + affinity = gpu_affinity.set_affinity(args.local_rank, nproc_per_node) + print(f'{args.local_rank}: core affinity: {affinity}') + + + if __name__ == "__main__": + main() + + Launch the example with: + python -m torch.distributed.launch --nproc_per_node <#GPUs> example.py + + + WARNING: On DGX A100 only a half of CPU cores have direct access to GPUs. + This function restricts execution only to the CPU cores directly connected + to GPUs, so on DGX A100 it will limit the code to half of CPU cores and half + of CPU memory bandwidth (which may be fine for many DL models). + """ + pynvml.nvmlInit() + + if mode == "socket": + set_socket_affinity(gpu_id) + elif mode == "single": + set_single_affinity(gpu_id) + elif mode == "single_unique": + set_single_unique_affinity(gpu_id, nproc_per_node) + elif mode == "socket_unique_interleaved": + set_socket_unique_affinity(gpu_id, nproc_per_node, "interleaved", balanced) + elif mode == "socket_unique_continuous": + set_socket_unique_affinity(gpu_id, nproc_per_node, "continuous", balanced) + else: + raise RuntimeError("Unknown affinity mode") + + affinity = os.sched_getaffinity(0) + return affinity diff --git a/RFdiffusion/env/SE3Transformer/se3_transformer/runtime/inference.py b/RFdiffusion/env/SE3Transformer/se3_transformer/runtime/inference.py new file mode 100644 index 0000000000000000000000000000000000000000..21e9125b24f9865b89cff29063ad997e77297d21 --- /dev/null +++ b/RFdiffusion/env/SE3Transformer/se3_transformer/runtime/inference.py @@ -0,0 +1,131 @@ +# Copyright (c) 2021, NVIDIA CORPORATION & AFFILIATES. All rights reserved. +# +# Permission is hereby granted, free of charge, to any person obtaining a +# copy of this software and associated documentation files (the "Software"), +# to deal in the Software without restriction, including without limitation +# the rights to use, copy, modify, merge, publish, distribute, sublicense, +# and/or sell copies of the Software, and to permit persons to whom the +# Software is furnished to do so, subject to the following conditions: +# +# The above copyright notice and this permission notice shall be included in +# all copies or substantial portions of the Software. +# +# THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR +# IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, +# FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL +# THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER +# LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING +# FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER +# DEALINGS IN THE SOFTWARE. +# +# SPDX-FileCopyrightText: Copyright (c) 2021 NVIDIA CORPORATION & AFFILIATES +# SPDX-License-Identifier: MIT + +from typing import List + +import torch +import torch.nn as nn +from torch.nn.parallel import DistributedDataParallel +from torch.utils.data import DataLoader +from tqdm import tqdm + +from se3_transformer.runtime import gpu_affinity +from se3_transformer.runtime.arguments import PARSER +from se3_transformer.runtime.callbacks import BaseCallback +from se3_transformer.runtime.loggers import DLLogger +from se3_transformer.runtime.utils import to_cuda, get_local_rank + + +@torch.inference_mode() +def evaluate(model: nn.Module, + dataloader: DataLoader, + callbacks: List[BaseCallback], + args): + model.eval() + for i, batch in tqdm(enumerate(dataloader), total=len(dataloader), unit='batch', desc=f'Evaluation', + leave=False, disable=(args.silent or get_local_rank() != 0)): + *input, target = to_cuda(batch) + + for callback in callbacks: + callback.on_batch_start() + + with torch.cuda.amp.autocast(enabled=args.amp): + pred = model(*input) + + for callback in callbacks: + callback.on_validation_step(input, target, pred) + + +if __name__ == '__main__': + from se3_transformer.runtime.callbacks import QM9MetricCallback, PerformanceCallback + from se3_transformer.runtime.utils import init_distributed, seed_everything + from se3_transformer.model import SE3TransformerPooled, Fiber + from se3_transformer.data_loading import QM9DataModule + import torch.distributed as dist + import logging + import sys + + is_distributed = init_distributed() + local_rank = get_local_rank() + args = PARSER.parse_args() + + logging.getLogger().setLevel(logging.CRITICAL if local_rank != 0 or args.silent else logging.INFO) + + logging.info('====== SE(3)-Transformer ======') + logging.info('| Inference on the test set |') + logging.info('===============================') + + if not args.benchmark and args.load_ckpt_path is None: + logging.error('No load_ckpt_path provided, you need to provide a saved model to evaluate') + sys.exit(1) + + if args.benchmark: + logging.info('Running benchmark mode with one warmup pass') + + if args.seed is not None: + seed_everything(args.seed) + + major_cc, minor_cc = torch.cuda.get_device_capability() + + logger = DLLogger(args.log_dir, filename=args.dllogger_name) + datamodule = QM9DataModule(**vars(args)) + model = SE3TransformerPooled( + fiber_in=Fiber({0: datamodule.NODE_FEATURE_DIM}), + fiber_out=Fiber({0: args.num_degrees * args.num_channels}), + fiber_edge=Fiber({0: datamodule.EDGE_FEATURE_DIM}), + output_dim=1, + tensor_cores=(args.amp and major_cc >= 7) or major_cc >= 8, # use Tensor Cores more effectively + **vars(args) + ) + callbacks = [QM9MetricCallback(logger, targets_std=datamodule.targets_std, prefix='test')] + + model.to(device=torch.cuda.current_device()) + if args.load_ckpt_path is not None: + checkpoint = torch.load(str(args.load_ckpt_path), map_location={'cuda:0': f'cuda:{local_rank}'}) + model.load_state_dict(checkpoint['state_dict']) + + if is_distributed: + nproc_per_node = torch.cuda.device_count() + affinity = gpu_affinity.set_affinity(local_rank, nproc_per_node) + model = DistributedDataParallel(model, device_ids=[local_rank], output_device=local_rank) + + test_dataloader = datamodule.test_dataloader() if not args.benchmark else datamodule.train_dataloader() + evaluate(model, + test_dataloader, + callbacks, + args) + + for callback in callbacks: + callback.on_validation_end() + + if args.benchmark: + world_size = dist.get_world_size() if dist.is_initialized() else 1 + callbacks = [PerformanceCallback(logger, args.batch_size * world_size, warmup_epochs=1, mode='inference')] + for _ in range(6): + evaluate(model, + test_dataloader, + callbacks, + args) + callbacks[0].on_epoch_end() + + callbacks[0].on_fit_end() diff --git a/RFdiffusion/env/SE3Transformer/se3_transformer/runtime/loggers.py b/RFdiffusion/env/SE3Transformer/se3_transformer/runtime/loggers.py new file mode 100644 index 0000000000000000000000000000000000000000..591486d8814c5dff43b8652823900e05add06c83 --- /dev/null +++ b/RFdiffusion/env/SE3Transformer/se3_transformer/runtime/loggers.py @@ -0,0 +1,134 @@ +# Copyright (c) 2021, NVIDIA CORPORATION & AFFILIATES. All rights reserved. +# +# Permission is hereby granted, free of charge, to any person obtaining a +# copy of this software and associated documentation files (the "Software"), +# to deal in the Software without restriction, including without limitation +# the rights to use, copy, modify, merge, publish, distribute, sublicense, +# and/or sell copies of the Software, and to permit persons to whom the +# Software is furnished to do so, subject to the following conditions: +# +# The above copyright notice and this permission notice shall be included in +# all copies or substantial portions of the Software. +# +# THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR +# IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, +# FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL +# THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER +# LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING +# FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER +# DEALINGS IN THE SOFTWARE. +# +# SPDX-FileCopyrightText: Copyright (c) 2021 NVIDIA CORPORATION & AFFILIATES +# SPDX-License-Identifier: MIT + +import pathlib +from abc import ABC, abstractmethod +from enum import Enum +from typing import Dict, Any, Callable, Optional + +import dllogger +import torch.distributed as dist +import wandb +from dllogger import Verbosity + +from se3_transformer.runtime.utils import rank_zero_only + + +class Logger(ABC): + @rank_zero_only + @abstractmethod + def log_hyperparams(self, params): + pass + + @rank_zero_only + @abstractmethod + def log_metrics(self, metrics, step=None): + pass + + @staticmethod + def _sanitize_params(params): + def _sanitize(val): + if isinstance(val, Callable): + try: + _val = val() + if isinstance(_val, Callable): + return val.__name__ + return _val + except Exception: + return getattr(val, "__name__", None) + elif isinstance(val, pathlib.Path) or isinstance(val, Enum): + return str(val) + return val + + return {key: _sanitize(val) for key, val in params.items()} + + +class LoggerCollection(Logger): + def __init__(self, loggers): + super().__init__() + self.loggers = loggers + + def __getitem__(self, index): + return [logger for logger in self.loggers][index] + + @rank_zero_only + def log_metrics(self, metrics, step=None): + for logger in self.loggers: + logger.log_metrics(metrics, step) + + @rank_zero_only + def log_hyperparams(self, params): + for logger in self.loggers: + logger.log_hyperparams(params) + + +class DLLogger(Logger): + def __init__(self, save_dir: pathlib.Path, filename: str): + super().__init__() + if not dist.is_initialized() or dist.get_rank() == 0: + save_dir.mkdir(parents=True, exist_ok=True) + dllogger.init( + backends=[dllogger.JSONStreamBackend(Verbosity.DEFAULT, str(save_dir / filename))]) + + @rank_zero_only + def log_hyperparams(self, params): + params = self._sanitize_params(params) + dllogger.log(step="PARAMETER", data=params) + + @rank_zero_only + def log_metrics(self, metrics, step=None): + if step is None: + step = tuple() + + dllogger.log(step=step, data=metrics) + + +class WandbLogger(Logger): + def __init__( + self, + name: str, + save_dir: pathlib.Path, + id: Optional[str] = None, + project: Optional[str] = None + ): + super().__init__() + if not dist.is_initialized() or dist.get_rank() == 0: + save_dir.mkdir(parents=True, exist_ok=True) + self.experiment = wandb.init(name=name, + project=project, + id=id, + dir=str(save_dir), + resume='allow', + anonymous='must') + + @rank_zero_only + def log_hyperparams(self, params: Dict[str, Any]) -> None: + params = self._sanitize_params(params) + self.experiment.config.update(params, allow_val_change=True) + + @rank_zero_only + def log_metrics(self, metrics: Dict[str, float], step: Optional[int] = None) -> None: + if step is not None: + self.experiment.log({**metrics, 'epoch': step}) + else: + self.experiment.log(metrics) diff --git a/RFdiffusion/env/SE3Transformer/se3_transformer/runtime/metrics.py b/RFdiffusion/env/SE3Transformer/se3_transformer/runtime/metrics.py new file mode 100644 index 0000000000000000000000000000000000000000..63026a71989441603df6abd447555524f2fd1e85 --- /dev/null +++ b/RFdiffusion/env/SE3Transformer/se3_transformer/runtime/metrics.py @@ -0,0 +1,83 @@ +# Copyright (c) 2021, NVIDIA CORPORATION & AFFILIATES. All rights reserved. +# +# Permission is hereby granted, free of charge, to any person obtaining a +# copy of this software and associated documentation files (the "Software"), +# to deal in the Software without restriction, including without limitation +# the rights to use, copy, modify, merge, publish, distribute, sublicense, +# and/or sell copies of the Software, and to permit persons to whom the +# Software is furnished to do so, subject to the following conditions: +# +# The above copyright notice and this permission notice shall be included in +# all copies or substantial portions of the Software. +# +# THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR +# IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, +# FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL +# THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER +# LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING +# FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER +# DEALINGS IN THE SOFTWARE. +# +# SPDX-FileCopyrightText: Copyright (c) 2021 NVIDIA CORPORATION & AFFILIATES +# SPDX-License-Identifier: MIT + +from abc import ABC, abstractmethod + +import torch +import torch.distributed as dist +from torch import Tensor + + +class Metric(ABC): + """ Metric class with synchronization capabilities similar to TorchMetrics """ + + def __init__(self): + self.states = {} + + def add_state(self, name: str, default: Tensor): + assert name not in self.states + self.states[name] = default.clone() + setattr(self, name, default) + + def synchronize(self): + if dist.is_initialized(): + for state in self.states: + dist.all_reduce(getattr(self, state), op=dist.ReduceOp.SUM, group=dist.group.WORLD) + + def __call__(self, *args, **kwargs): + self.update(*args, **kwargs) + + def reset(self): + for name, default in self.states.items(): + setattr(self, name, default.clone()) + + def compute(self): + self.synchronize() + value = self._compute().item() + self.reset() + return value + + @abstractmethod + def _compute(self): + pass + + @abstractmethod + def update(self, preds: Tensor, targets: Tensor): + pass + + +class MeanAbsoluteError(Metric): + def __init__(self): + super().__init__() + self.add_state('error', torch.tensor(0, dtype=torch.float32, device='cuda')) + self.add_state('total', torch.tensor(0, dtype=torch.int32, device='cuda')) + + def update(self, preds: Tensor, targets: Tensor): + preds = preds.detach() + n = preds.shape[0] + error = torch.abs(preds.view(n, -1) - targets.view(n, -1)).sum() + self.total += n + self.error += error + + def _compute(self): + return self.error / self.total diff --git a/RFdiffusion/env/SE3Transformer/se3_transformer/runtime/training.py b/RFdiffusion/env/SE3Transformer/se3_transformer/runtime/training.py new file mode 100644 index 0000000000000000000000000000000000000000..531227791679835906164f7f750bc36866ab8bfb --- /dev/null +++ b/RFdiffusion/env/SE3Transformer/se3_transformer/runtime/training.py @@ -0,0 +1,238 @@ +# Copyright (c) 2021, NVIDIA CORPORATION & AFFILIATES. All rights reserved. +# +# Permission is hereby granted, free of charge, to any person obtaining a +# copy of this software and associated documentation files (the "Software"), +# to deal in the Software without restriction, including without limitation +# the rights to use, copy, modify, merge, publish, distribute, sublicense, +# and/or sell copies of the Software, and to permit persons to whom the +# Software is furnished to do so, subject to the following conditions: +# +# The above copyright notice and this permission notice shall be included in +# all copies or substantial portions of the Software. +# +# THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR +# IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, +# FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL +# THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER +# LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING +# FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER +# DEALINGS IN THE SOFTWARE. +# +# SPDX-FileCopyrightText: Copyright (c) 2021 NVIDIA CORPORATION & AFFILIATES +# SPDX-License-Identifier: MIT + +import logging +import pathlib +from typing import List + +import numpy as np +import torch +import torch.distributed as dist +import torch.nn as nn +from apex.optimizers import FusedAdam, FusedLAMB +from torch.nn.modules.loss import _Loss +from torch.nn.parallel import DistributedDataParallel +from torch.optim import Optimizer +from torch.utils.data import DataLoader, DistributedSampler +from tqdm import tqdm + +from se3_transformer.data_loading import QM9DataModule +from se3_transformer.model import SE3TransformerPooled +from se3_transformer.model.fiber import Fiber +from se3_transformer.runtime import gpu_affinity +from se3_transformer.runtime.arguments import PARSER +from se3_transformer.runtime.callbacks import QM9MetricCallback, QM9LRSchedulerCallback, BaseCallback, \ + PerformanceCallback +from se3_transformer.runtime.inference import evaluate +from se3_transformer.runtime.loggers import LoggerCollection, DLLogger, WandbLogger, Logger +from se3_transformer.runtime.utils import to_cuda, get_local_rank, init_distributed, seed_everything, \ + using_tensor_cores, increase_l2_fetch_granularity + + +def save_state(model: nn.Module, optimizer: Optimizer, epoch: int, path: pathlib.Path, callbacks: List[BaseCallback]): + """ Saves model, optimizer and epoch states to path (only once per node) """ + if get_local_rank() == 0: + state_dict = model.module.state_dict() if isinstance(model, DistributedDataParallel) else model.state_dict() + checkpoint = { + 'state_dict': state_dict, + 'optimizer_state_dict': optimizer.state_dict(), + 'epoch': epoch + } + for callback in callbacks: + callback.on_checkpoint_save(checkpoint) + + torch.save(checkpoint, str(path)) + logging.info(f'Saved checkpoint to {str(path)}') + + +def load_state(model: nn.Module, optimizer: Optimizer, path: pathlib.Path, callbacks: List[BaseCallback]): + """ Loads model, optimizer and epoch states from path """ + checkpoint = torch.load(str(path), map_location={'cuda:0': f'cuda:{get_local_rank()}'}) + if isinstance(model, DistributedDataParallel): + model.module.load_state_dict(checkpoint['state_dict']) + else: + model.load_state_dict(checkpoint['state_dict']) + optimizer.load_state_dict(checkpoint['optimizer_state_dict']) + + for callback in callbacks: + callback.on_checkpoint_load(checkpoint) + + logging.info(f'Loaded checkpoint from {str(path)}') + return checkpoint['epoch'] + + +def train_epoch(model, train_dataloader, loss_fn, epoch_idx, grad_scaler, optimizer, local_rank, callbacks, args): + losses = [] + for i, batch in tqdm(enumerate(train_dataloader), total=len(train_dataloader), unit='batch', + desc=f'Epoch {epoch_idx}', disable=(args.silent or local_rank != 0)): + *inputs, target = to_cuda(batch) + + for callback in callbacks: + callback.on_batch_start() + + with torch.cuda.amp.autocast(enabled=args.amp): + pred = model(*inputs) + loss = loss_fn(pred, target) / args.accumulate_grad_batches + + grad_scaler.scale(loss).backward() + + # gradient accumulation + if (i + 1) % args.accumulate_grad_batches == 0 or (i + 1) == len(train_dataloader): + if args.gradient_clip: + grad_scaler.unscale_(optimizer) + torch.nn.utils.clip_grad_norm_(model.parameters(), args.gradient_clip) + + grad_scaler.step(optimizer) + grad_scaler.update() + optimizer.zero_grad() + + losses.append(loss.item()) + + return np.mean(losses) + + +def train(model: nn.Module, + loss_fn: _Loss, + train_dataloader: DataLoader, + val_dataloader: DataLoader, + callbacks: List[BaseCallback], + logger: Logger, + args): + device = torch.cuda.current_device() + model.to(device=device) + local_rank = get_local_rank() + world_size = dist.get_world_size() if dist.is_initialized() else 1 + + if dist.is_initialized(): + model = DistributedDataParallel(model, device_ids=[local_rank], output_device=local_rank) + + model.train() + grad_scaler = torch.cuda.amp.GradScaler(enabled=args.amp) + if args.optimizer == 'adam': + optimizer = FusedAdam(model.parameters(), lr=args.learning_rate, betas=(args.momentum, 0.999), + weight_decay=args.weight_decay) + elif args.optimizer == 'lamb': + optimizer = FusedLAMB(model.parameters(), lr=args.learning_rate, betas=(args.momentum, 0.999), + weight_decay=args.weight_decay) + else: + optimizer = torch.optim.SGD(model.parameters(), lr=args.learning_rate, momentum=args.momentum, + weight_decay=args.weight_decay) + + epoch_start = load_state(model, optimizer, args.load_ckpt_path, callbacks) if args.load_ckpt_path else 0 + + for callback in callbacks: + callback.on_fit_start(optimizer, args) + + for epoch_idx in range(epoch_start, args.epochs): + if isinstance(train_dataloader.sampler, DistributedSampler): + train_dataloader.sampler.set_epoch(epoch_idx) + + loss = train_epoch(model, train_dataloader, loss_fn, epoch_idx, grad_scaler, optimizer, local_rank, callbacks, args) + if dist.is_initialized(): + loss = torch.tensor(loss, dtype=torch.float, device=device) + torch.distributed.all_reduce(loss) + loss = (loss / world_size).item() + + logging.info(f'Train loss: {loss}') + logger.log_metrics({'train loss': loss}, epoch_idx) + + for callback in callbacks: + callback.on_epoch_end() + + if not args.benchmark and args.save_ckpt_path is not None and args.ckpt_interval > 0 \ + and (epoch_idx + 1) % args.ckpt_interval == 0: + save_state(model, optimizer, epoch_idx, args.save_ckpt_path, callbacks) + + if not args.benchmark and args.eval_interval > 0 and (epoch_idx + 1) % args.eval_interval == 0: + evaluate(model, val_dataloader, callbacks, args) + model.train() + + for callback in callbacks: + callback.on_validation_end(epoch_idx) + + if args.save_ckpt_path is not None and not args.benchmark: + save_state(model, optimizer, args.epochs, args.save_ckpt_path, callbacks) + + for callback in callbacks: + callback.on_fit_end() + + +def print_parameters_count(model): + num_params_trainable = sum(p.numel() for p in model.parameters() if p.requires_grad) + logging.info(f'Number of trainable parameters: {num_params_trainable}') + + +if __name__ == '__main__': + is_distributed = init_distributed() + local_rank = get_local_rank() + args = PARSER.parse_args() + + logging.getLogger().setLevel(logging.CRITICAL if local_rank != 0 or args.silent else logging.INFO) + + logging.info('====== SE(3)-Transformer ======') + logging.info('| Training procedure |') + logging.info('===============================') + + if args.seed is not None: + logging.info(f'Using seed {args.seed}') + seed_everything(args.seed) + + logger = LoggerCollection([ + DLLogger(save_dir=args.log_dir, filename=args.dllogger_name), + WandbLogger(name=f'QM9({args.task})', save_dir=args.log_dir, project='se3-transformer') + ]) + + datamodule = QM9DataModule(**vars(args)) + model = SE3TransformerPooled( + fiber_in=Fiber({0: datamodule.NODE_FEATURE_DIM}), + fiber_out=Fiber({0: args.num_degrees * args.num_channels}), + fiber_edge=Fiber({0: datamodule.EDGE_FEATURE_DIM}), + output_dim=1, + tensor_cores=using_tensor_cores(args.amp), # use Tensor Cores more effectively + **vars(args) + ) + loss_fn = nn.L1Loss() + + if args.benchmark: + logging.info('Running benchmark mode') + world_size = dist.get_world_size() if dist.is_initialized() else 1 + callbacks = [PerformanceCallback(logger, args.batch_size * world_size)] + else: + callbacks = [QM9MetricCallback(logger, targets_std=datamodule.targets_std, prefix='validation'), + QM9LRSchedulerCallback(logger, epochs=args.epochs)] + + if is_distributed: + gpu_affinity.set_affinity(gpu_id=get_local_rank(), nproc_per_node=torch.cuda.device_count()) + + print_parameters_count(model) + logger.log_hyperparams(vars(args)) + increase_l2_fetch_granularity() + train(model, + loss_fn, + datamodule.train_dataloader(), + datamodule.val_dataloader(), + callbacks, + logger, + args) + + logging.info('Training finished successfully') diff --git a/RFdiffusion/env/SE3Transformer/se3_transformer/runtime/utils.py b/RFdiffusion/env/SE3Transformer/se3_transformer/runtime/utils.py new file mode 100644 index 0000000000000000000000000000000000000000..b6248fa6e5d94a14df6726eb73274a4727281a63 --- /dev/null +++ b/RFdiffusion/env/SE3Transformer/se3_transformer/runtime/utils.py @@ -0,0 +1,130 @@ +# Copyright (c) 2021, NVIDIA CORPORATION & AFFILIATES. All rights reserved. +# +# Permission is hereby granted, free of charge, to any person obtaining a +# copy of this software and associated documentation files (the "Software"), +# to deal in the Software without restriction, including without limitation +# the rights to use, copy, modify, merge, publish, distribute, sublicense, +# and/or sell copies of the Software, and to permit persons to whom the +# Software is furnished to do so, subject to the following conditions: +# +# The above copyright notice and this permission notice shall be included in +# all copies or substantial portions of the Software. +# +# THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR +# IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, +# FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL +# THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER +# LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING +# FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER +# DEALINGS IN THE SOFTWARE. +# +# SPDX-FileCopyrightText: Copyright (c) 2021 NVIDIA CORPORATION & AFFILIATES +# SPDX-License-Identifier: MIT + +import argparse +import ctypes +import logging +import os +import random +from functools import wraps +from typing import Union, List, Dict + +import numpy as np +import torch +import torch.distributed as dist +from torch import Tensor + + +def aggregate_residual(feats1, feats2, method: str): + """ Add or concatenate two fiber features together. If degrees don't match, will use the ones of feats2. """ + if method in ['add', 'sum']: + return {k: (v + feats1[k]) if k in feats1 else v for k, v in feats2.items()} + elif method in ['cat', 'concat']: + return {k: torch.cat([v, feats1[k]], dim=1) if k in feats1 else v for k, v in feats2.items()} + else: + raise ValueError('Method must be add/sum or cat/concat') + + +def degree_to_dim(degree: int) -> int: + return 2 * degree + 1 + + +def unfuse_features(features: Tensor, degrees: List[int]) -> Dict[str, Tensor]: + return dict(zip(map(str, degrees), features.split([degree_to_dim(deg) for deg in degrees], dim=-1))) + + +def str2bool(v: Union[bool, str]) -> bool: + if isinstance(v, bool): + return v + if v.lower() in ('yes', 'true', 't', 'y', '1'): + return True + elif v.lower() in ('no', 'false', 'f', 'n', '0'): + return False + else: + raise argparse.ArgumentTypeError('Boolean value expected.') + + +def to_cuda(x): + """ Try to convert a Tensor, a collection of Tensors or a DGLGraph to CUDA """ + if isinstance(x, Tensor): + return x.cuda(non_blocking=True) + elif isinstance(x, tuple): + return (to_cuda(v) for v in x) + elif isinstance(x, list): + return [to_cuda(v) for v in x] + elif isinstance(x, dict): + return {k: to_cuda(v) for k, v in x.items()} + else: + # DGLGraph or other objects + return x.to(device=torch.cuda.current_device()) + + +def get_local_rank() -> int: + return int(os.environ.get('LOCAL_RANK', 0)) + + +def init_distributed() -> bool: + world_size = int(os.environ.get('WORLD_SIZE', 1)) + distributed = world_size > 1 + if distributed: + backend = 'nccl' if torch.cuda.is_available() else 'gloo' + dist.init_process_group(backend=backend, init_method='env://') + if backend == 'nccl': + torch.cuda.set_device(get_local_rank()) + else: + logging.warning('Running on CPU only!') + assert torch.distributed.is_initialized() + return distributed + + +def increase_l2_fetch_granularity(): + # maximum fetch granularity of L2: 128 bytes + _libcudart = ctypes.CDLL('libcudart.so') + # set device limit on the current device + # cudaLimitMaxL2FetchGranularity = 0x05 + pValue = ctypes.cast((ctypes.c_int * 1)(), ctypes.POINTER(ctypes.c_int)) + _libcudart.cudaDeviceSetLimit(ctypes.c_int(0x05), ctypes.c_int(128)) + _libcudart.cudaDeviceGetLimit(pValue, ctypes.c_int(0x05)) + assert pValue.contents.value == 128 + + +def seed_everything(seed): + seed = int(seed) + random.seed(seed) + np.random.seed(seed) + torch.manual_seed(seed) + torch.cuda.manual_seed_all(seed) + + +def rank_zero_only(fn): + @wraps(fn) + def wrapped_fn(*args, **kwargs): + if not dist.is_initialized() or dist.get_rank() == 0: + return fn(*args, **kwargs) + + return wrapped_fn + + +def using_tensor_cores(amp: bool) -> bool: + major_cc, minor_cc = torch.cuda.get_device_capability() + return (amp and major_cc >= 7) or major_cc >= 8 diff --git a/RFdiffusion/env/SE3Transformer/setup.py b/RFdiffusion/env/SE3Transformer/setup.py new file mode 100644 index 0000000000000000000000000000000000000000..8271489792a4d47d107bb9fc3f3b5c5aedd878d0 --- /dev/null +++ b/RFdiffusion/env/SE3Transformer/setup.py @@ -0,0 +1,11 @@ +from setuptools import setup, find_packages + +setup( + name='se3-transformer', + packages=find_packages(), + include_package_data=True, + version='1.0.0', + description='PyTorch + DGL implementation of SE(3)-Transformers', + author='Alexandre Milesi', + author_email='alexandrem@nvidia.com', +) diff --git a/RFdiffusion/env/SE3Transformer/tests/__init__.py b/RFdiffusion/env/SE3Transformer/tests/__init__.py new file mode 100644 index 0000000000000000000000000000000000000000..e69de29bb2d1d6434b8b29ae775ad8c2e48c5391 diff --git a/RFdiffusion/env/SE3Transformer/tests/test_equivariance.py b/RFdiffusion/env/SE3Transformer/tests/test_equivariance.py new file mode 100644 index 0000000000000000000000000000000000000000..a0a29b7f0f038564721c38b95b6076c4b38ddb56 --- /dev/null +++ b/RFdiffusion/env/SE3Transformer/tests/test_equivariance.py @@ -0,0 +1,102 @@ +# Copyright (c) 2021, NVIDIA CORPORATION & AFFILIATES. All rights reserved. +# +# Permission is hereby granted, free of charge, to any person obtaining a +# copy of this software and associated documentation files (the "Software"), +# to deal in the Software without restriction, including without limitation +# the rights to use, copy, modify, merge, publish, distribute, sublicense, +# and/or sell copies of the Software, and to permit persons to whom the +# Software is furnished to do so, subject to the following conditions: +# +# The above copyright notice and this permission notice shall be included in +# all copies or substantial portions of the Software. +# +# THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR +# IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, +# FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL +# THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER +# LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING +# FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER +# DEALINGS IN THE SOFTWARE. +# +# SPDX-FileCopyrightText: Copyright (c) 2021 NVIDIA CORPORATION & AFFILIATES +# SPDX-License-Identifier: MIT + +import torch + +from se3_transformer.model import SE3Transformer +from se3_transformer.model.fiber import Fiber +from tests.utils import get_random_graph, assign_relative_pos, get_max_diff, rot + +# Tolerances for equivariance error abs( f(x) @ R - f(x @ R) ) +TOL = 1e-3 +CHANNELS, NODES = 32, 512 + + +def _get_outputs(model, R): + feats0 = torch.randn(NODES, CHANNELS, 1) + feats1 = torch.randn(NODES, CHANNELS, 3) + + coords = torch.randn(NODES, 3) + graph = get_random_graph(NODES) + if torch.cuda.is_available(): + feats0 = feats0.cuda() + feats1 = feats1.cuda() + R = R.cuda() + coords = coords.cuda() + graph = graph.to('cuda') + model.cuda() + + graph1 = assign_relative_pos(graph, coords) + out1 = model(graph1, {'0': feats0, '1': feats1}, {}) + graph2 = assign_relative_pos(graph, coords @ R) + out2 = model(graph2, {'0': feats0, '1': feats1 @ R}, {}) + + return out1, out2 + + +def _get_model(**kwargs): + return SE3Transformer( + num_layers=4, + fiber_in=Fiber.create(2, CHANNELS), + fiber_hidden=Fiber.create(3, CHANNELS), + fiber_out=Fiber.create(2, CHANNELS), + fiber_edge=Fiber({}), + num_heads=8, + channels_div=2, + **kwargs + ) + + +def test_equivariance(): + model = _get_model() + R = rot(*torch.rand(3)) + if torch.cuda.is_available(): + R = R.cuda() + out1, out2 = _get_outputs(model, R) + + assert torch.allclose(out2['0'], out1['0'], atol=TOL), \ + f'type-0 features should be invariant {get_max_diff(out1["0"], out2["0"])}' + assert torch.allclose(out2['1'], (out1['1'] @ R), atol=TOL), \ + f'type-1 features should be equivariant {get_max_diff(out1["1"] @ R, out2["1"])}' + + +def test_equivariance_pooled(): + model = _get_model(pooling='avg', return_type=1) + R = rot(*torch.rand(3)) + if torch.cuda.is_available(): + R = R.cuda() + out1, out2 = _get_outputs(model, R) + + assert torch.allclose(out2, (out1 @ R), atol=TOL), \ + f'type-1 features should be equivariant {get_max_diff(out1 @ R, out2)}' + + +def test_invariance_pooled(): + model = _get_model(pooling='avg', return_type=0) + R = rot(*torch.rand(3)) + if torch.cuda.is_available(): + R = R.cuda() + out1, out2 = _get_outputs(model, R) + + assert torch.allclose(out2, out1, atol=TOL), \ + f'type-0 features should be invariant {get_max_diff(out1, out2)}' diff --git a/RFdiffusion/env/SE3Transformer/tests/utils.py b/RFdiffusion/env/SE3Transformer/tests/utils.py new file mode 100644 index 0000000000000000000000000000000000000000..195f0aef86315f38b280efa522fbe75bbe90594f --- /dev/null +++ b/RFdiffusion/env/SE3Transformer/tests/utils.py @@ -0,0 +1,60 @@ +# Copyright (c) 2021, NVIDIA CORPORATION & AFFILIATES. All rights reserved. +# +# Permission is hereby granted, free of charge, to any person obtaining a +# copy of this software and associated documentation files (the "Software"), +# to deal in the Software without restriction, including without limitation +# the rights to use, copy, modify, merge, publish, distribute, sublicense, +# and/or sell copies of the Software, and to permit persons to whom the +# Software is furnished to do so, subject to the following conditions: +# +# The above copyright notice and this permission notice shall be included in +# all copies or substantial portions of the Software. +# +# THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR +# IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, +# FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL +# THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER +# LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING +# FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER +# DEALINGS IN THE SOFTWARE. +# +# SPDX-FileCopyrightText: Copyright (c) 2021 NVIDIA CORPORATION & AFFILIATES +# SPDX-License-Identifier: MIT + +import dgl +import torch + + +def get_random_graph(N, num_edges_factor=18): + graph = dgl.transform.remove_self_loop(dgl.rand_graph(N, N * num_edges_factor)) + return graph + + +def assign_relative_pos(graph, coords): + src, dst = graph.edges() + graph.edata['rel_pos'] = coords[src] - coords[dst] + return graph + + +def get_max_diff(a, b): + return (a - b).abs().max().item() + + +def rot_z(gamma): + return torch.tensor([ + [torch.cos(gamma), -torch.sin(gamma), 0], + [torch.sin(gamma), torch.cos(gamma), 0], + [0, 0, 1] + ], dtype=gamma.dtype) + + +def rot_y(beta): + return torch.tensor([ + [torch.cos(beta), 0, torch.sin(beta)], + [0, 1, 0], + [-torch.sin(beta), 0, torch.cos(beta)] + ], dtype=beta.dtype) + + +def rot(alpha, beta, gamma): + return rot_z(alpha) @ rot_y(beta) @ rot_z(gamma) diff --git a/RFdiffusion/env/SE3nv.yml b/RFdiffusion/env/SE3nv.yml new file mode 100644 index 0000000000000000000000000000000000000000..a51bcce6d9ddbf09a0959a7d447d2b867c01003b --- /dev/null +++ b/RFdiffusion/env/SE3nv.yml @@ -0,0 +1,18 @@ +name: SE3nv +channels: + - defaults + - conda-forge + - pytorch + - dglteam + - nvidia +dependencies: + - python=3.9 + - pytorch=1.9 + - torchaudio + - torchvision + - cudatoolkit=11.1 + - dgl-cuda11.1 + - pip + - pip: + - hydra-core + - pyrsistent diff --git a/RFdiffusion/examples/01d461f506ab04f7d0ebca3e58138a95_0001_adj.pt b/RFdiffusion/examples/01d461f506ab04f7d0ebca3e58138a95_0001_adj.pt new file mode 100644 index 0000000000000000000000000000000000000000..849c42abe3b8127e6557955a94a8af87ddbd673a --- /dev/null +++ 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-3.147 13.885 6.718 1.00 72.15 N +ATOM 2 CA MET A 1 -3.908 12.647 6.390 1.00 43.24 C +ATOM 3 C MET A 1 -2.954 11.475 6.132 1.00 23.24 C +ATOM 4 O MET A 1 -2.065 11.560 5.283 1.00 33.11 O +ATOM 5 CB MET A 1 -4.808 12.870 5.162 1.00 31.21 C +ATOM 6 CG MET A 1 -5.688 11.669 4.816 1.00 32.21 C +ATOM 7 SD MET A 1 -6.736 11.951 3.369 1.00 32.45 S +ATOM 8 CE MET A 1 -5.502 12.181 2.090 1.00 32.45 C +ATOM 9 HA MET A 1 -4.529 12.405 7.243 1.00 35.44 H +ATOM 10 HB2 MET A 1 -5.451 13.717 5.351 1.00 52.03 H +ATOM 11 HB3 MET A 1 -4.181 13.089 4.309 1.00 37.76 H +ATOM 12 HG2 MET A 1 -5.052 10.816 4.621 1.00 52.04 H +ATOM 13 HG3 MET A 1 -6.324 11.449 5.663 1.00 37.76 H +ATOM 14 HE1 MET A 1 -4.859 11.316 2.051 1.00 52.33 H +ATOM 15 HE2 MET A 1 -4.912 13.058 2.313 1.00 52.04 H +ATOM 16 HE3 MET A 1 -5.993 12.309 1.138 1.00 52.11 H +ATOM 17 H1 MET A 1 -3.801 14.679 6.870 1.00 37.76 H +ATOM 18 H2 MET A 1 -2.499 14.130 5.943 1.00 37.76 H +ATOM 19 H3 MET A 1 -2.587 13.741 7.587 1.00 37.76 H +ATOM 20 N GLU A 2 -3.134 10.391 6.882 1.00 13.41 N +ATOM 21 CA GLU A 2 -2.306 9.191 6.733 1.00 34.20 C +ATOM 22 C GLU A 2 -3.082 8.082 6.007 1.00 74.21 C +ATOM 23 O GLU A 2 -4.304 8.156 5.865 1.00 14.43 O +ATOM 24 CB GLU A 2 -1.843 8.686 8.112 1.00 21.41 C +ATOM 25 CG GLU A 2 -0.963 9.668 8.894 1.00 2.32 C +ATOM 26 CD GLU A 2 -1.685 10.950 9.295 1.00 42.41 C +ATOM 27 OE1 GLU A 2 -2.567 10.891 10.179 1.00 61.05 O +ATOM 28 OE2 GLU A 2 -1.378 12.021 8.729 1.00 23.33 O1- +ATOM 29 H GLU A 2 -3.840 10.397 7.562 1.00 37.76 H +ATOM 30 HA GLU A 2 -1.437 9.450 6.142 1.00 53.32 H +ATOM 31 HB2 GLU A 2 -2.717 8.470 8.711 1.00 44.22 H +ATOM 32 HB3 GLU A 2 -1.283 7.771 7.974 1.00 37.76 H +ATOM 33 HG2 GLU A 2 -0.615 9.179 9.793 1.00 55.12 H +ATOM 34 HG3 GLU A 2 -0.110 9.927 8.280 1.00 37.76 H +ATOM 35 N MET A 3 -2.380 7.054 5.549 1.00 3.20 N +ATOM 36 CA MET A 3 -3.025 5.951 4.831 1.00 52.33 C +ATOM 37 C MET A 3 -2.372 4.597 5.158 1.00 14.14 C +ATOM 38 O MET A 3 -1.191 4.387 4.879 1.00 52.12 O +ATOM 39 CB MET A 3 -2.973 6.214 3.320 1.00 30.13 C +ATOM 40 CG MET A 3 -3.669 5.151 2.485 1.00 12.22 C +ATOM 41 SD MET A 3 -3.680 5.557 0.729 1.00 23.05 S +ATOM 42 CE MET A 3 -4.608 4.179 0.069 1.00 61.35 C +ATOM 43 H MET A 3 -1.407 7.037 5.684 1.00 37.76 H +ATOM 44 HA MET A 3 -4.062 5.916 5.141 1.00 5.21 H +ATOM 45 HB2 MET A 3 -3.444 7.165 3.115 1.00 75.25 H +ATOM 46 HB3 MET A 3 -1.937 6.267 3.009 1.00 37.76 H +ATOM 47 HG2 MET A 3 -3.153 4.210 2.619 1.00 44.32 H +ATOM 48 HG3 MET A 3 -4.689 5.053 2.826 1.00 37.76 H +ATOM 49 HE1 MET A 3 -4.114 3.252 0.328 1.00 32.44 H +ATOM 50 HE2 MET A 3 -4.666 4.267 -1.005 1.00 22.54 H +ATOM 51 HE3 MET A 3 -5.604 4.183 0.485 1.00 5.21 H +ATOM 52 N ASP A 4 -3.145 3.689 5.756 1.00 74.21 N +ATOM 53 CA ASP A 4 -2.667 2.331 6.048 1.00 10.23 C +ATOM 54 C ASP A 4 -3.059 1.351 4.929 1.00 62.32 C +ATOM 55 O ASP A 4 -4.214 0.942 4.826 1.00 12.22 O +ATOM 56 CB ASP A 4 -3.240 1.836 7.383 1.00 44.01 C +ATOM 57 CG ASP A 4 -2.775 2.665 8.565 1.00 15.34 C +ATOM 58 OD1 ASP A 4 -1.646 2.450 9.038 1.00 65.22 O +ATOM 59 OD2 ASP A 4 -3.547 3.523 9.042 1.00 22.10 O1- +ATOM 60 H ASP A 4 -4.059 3.936 6.014 1.00 37.76 H +ATOM 61 HA ASP A 4 -1.588 2.364 6.121 1.00 35.41 H +ATOM 62 HB2 ASP A 4 -4.320 1.875 7.340 1.00 22.01 H +ATOM 63 HB3 ASP A 4 -2.932 0.810 7.543 1.00 37.76 H +ATOM 64 N ILE A 5 -2.097 0.988 4.087 1.00 73.33 N +ATOM 65 CA ILE A 5 -2.325 -0.005 3.033 1.00 4.11 C +ATOM 66 C ILE A 5 -1.796 -1.382 3.465 1.00 12.04 C +ATOM 67 O ILE A 5 -0.589 -1.598 3.543 1.00 51.20 O +ATOM 68 CB ILE A 5 -1.641 0.412 1.707 1.00 73.11 C +ATOM 69 CG1 ILE A 5 -2.050 1.844 1.323 1.00 72.12 C +ATOM 70 CG2 ILE A 5 -1.998 -0.571 0.590 1.00 1.15 C +ATOM 71 CD1 ILE A 5 -1.388 2.353 0.059 1.00 52.23 C +ATOM 72 H ILE A 5 -1.215 1.402 4.168 1.00 37.76 H +ATOM 73 HA ILE A 5 -3.392 -0.077 2.859 1.00 23.45 H +ATOM 74 HB ILE A 5 -0.570 0.379 1.855 1.00 14.04 H +ATOM 75 HG12 ILE A 5 -3.119 1.878 1.171 1.00 23.42 H +ATOM 76 HG13 ILE A 5 -1.785 2.515 2.128 1.00 37.76 H +ATOM 77 HG21 ILE A 5 -3.068 -0.582 0.447 1.00 73.24 H +ATOM 78 HG22 ILE A 5 -1.661 -1.563 0.860 1.00 42.24 H +ATOM 79 HG23 ILE A 5 -1.518 -0.267 -0.329 1.00 72.43 H +ATOM 80 HD11 ILE A 5 -1.729 3.359 -0.144 1.00 13.41 H +ATOM 81 HD12 ILE A 5 -1.649 1.711 -0.768 1.00 3.33 H +ATOM 82 HD13 ILE A 5 -0.315 2.357 0.191 1.00 34.53 H +ATOM 83 N ARG A 6 -2.705 -2.307 3.743 1.00 24.22 N +ATOM 84 CA ARG A 6 -2.339 -3.638 4.234 1.00 63.35 C +ATOM 85 C ARG A 6 -2.365 -4.682 3.105 1.00 25.14 C +ATOM 86 O ARG A 6 -3.439 -5.072 2.631 1.00 61.31 O +ATOM 87 CB ARG A 6 -3.299 -4.059 5.359 1.00 10.25 C +ATOM 88 CG ARG A 6 -3.417 -3.034 6.485 1.00 51.25 C +ATOM 89 CD ARG A 6 -4.344 -3.520 7.596 1.00 32.11 C +ATOM 90 NE ARG A 6 -3.869 -4.764 8.198 1.00 64.24 N +ATOM 91 CZ ARG A 6 -4.360 -5.306 9.277 1.00 52.33 C +ATOM 92 NH1 ARG A 6 -5.331 -4.745 9.920 1.00 42.31 N1+ +ATOM 93 NH2 ARG A 6 -3.861 -6.412 9.711 1.00 72.32 N +ATOM 94 H ARG A 6 -3.649 -2.093 3.619 1.00 37.76 H +ATOM 95 HA ARG A 6 -1.336 -3.583 4.636 1.00 40.24 H +ATOM 96 HB2 ARG A 6 -4.284 -4.211 4.939 1.00 32.42 H +ATOM 97 HB3 ARG A 6 -2.952 -4.992 5.785 1.00 37.76 H +ATOM 98 HG2 ARG A 6 -2.435 -2.854 6.902 1.00 54.21 H +ATOM 99 HG3 ARG A 6 -3.808 -2.113 6.077 1.00 37.76 H +ATOM 100 HD2 ARG A 6 -4.401 -2.757 8.361 1.00 65.24 H +ATOM 101 HD3 ARG A 6 -5.329 -3.684 7.180 1.00 37.76 H +ATOM 102 HE ARG A 6 -3.122 -5.224 7.757 1.00 51.44 H +ATOM 103 HH11 ARG A 6 -5.715 -3.888 9.595 1.00 52.41 H +ATOM 104 HH12 ARG A 6 -5.692 -5.172 10.748 1.00 72.21 H +ATOM 105 HH21 ARG A 6 -3.099 -6.837 9.218 1.00 34.43 H +ATOM 106 HH22 ARG A 6 -4.234 -6.843 10.529 1.00 33.55 H +ATOM 107 N PHE A 7 -1.187 -5.120 2.669 1.00 4.24 N +ATOM 108 CA PHE A 7 -1.079 -6.175 1.652 1.00 43.35 C +ATOM 109 C PHE A 7 -1.017 -7.565 2.300 1.00 45.40 C +ATOM 110 O PHE A 7 -0.178 -7.821 3.162 1.00 4.52 O +ATOM 111 CB PHE A 7 0.166 -5.965 0.772 1.00 45.32 C +ATOM 112 CG PHE A 7 0.041 -4.843 -0.232 1.00 54.45 C +ATOM 113 CD1 PHE A 7 -0.597 -5.055 -1.448 1.00 12.10 C +ATOM 114 CD2 PHE A 7 0.573 -3.587 0.029 1.00 13.53 C +ATOM 115 CE1 PHE A 7 -0.703 -4.040 -2.379 1.00 25.11 C +ATOM 116 CE2 PHE A 7 0.468 -2.569 -0.900 1.00 34.11 C +ATOM 117 CZ PHE A 7 -0.170 -2.796 -2.105 1.00 61.44 C +ATOM 118 H PHE A 7 -0.368 -4.728 3.044 1.00 37.76 H +ATOM 119 HA PHE A 7 -1.959 -6.124 1.026 1.00 51.24 H +ATOM 120 HB2 PHE A 7 1.012 -5.747 1.407 1.00 63.21 H +ATOM 121 HB3 PHE A 7 0.368 -6.878 0.225 1.00 37.76 H +ATOM 122 HD1 PHE A 7 -1.017 -6.029 -1.667 1.00 13.34 H +ATOM 123 HD2 PHE A 7 1.073 -3.408 0.970 1.00 70.53 H +ATOM 124 HE1 PHE A 7 -1.201 -4.219 -3.322 1.00 24.23 H +ATOM 125 HE2 PHE A 7 0.885 -1.595 -0.685 1.00 65.12 H +ATOM 126 HZ PHE A 7 -0.250 -2.002 -2.835 1.00 54.23 H +ATOM 127 N ARG A 8 -1.899 -8.461 1.872 1.00 0.14 N +ATOM 128 CA ARG A 8 -1.928 -9.835 2.383 1.00 70.24 C +ATOM 129 C ARG A 8 -1.879 -10.835 1.213 1.00 0.23 C +ATOM 130 O ARG A 8 -2.763 -10.842 0.357 1.00 22.11 O +ATOM 131 CB ARG A 8 -3.199 -10.050 3.223 1.00 65.41 C +ATOM 132 CG ARG A 8 -3.220 -11.361 4.001 1.00 45.23 C +ATOM 133 CD ARG A 8 -4.519 -11.537 4.785 1.00 21.05 C +ATOM 134 NE ARG A 8 -4.478 -12.706 5.664 1.00 40.20 N +ATOM 135 CZ ARG A 8 -4.756 -13.926 5.290 1.00 25.31 C +ATOM 136 NH1 ARG A 8 -5.079 -14.188 4.064 1.00 65.31 N1+ +ATOM 137 NH2 ARG A 8 -4.704 -14.889 6.149 1.00 33.53 N +ATOM 138 H ARG A 8 -2.553 -8.193 1.193 1.00 37.76 H +ATOM 139 HA ARG A 8 -1.057 -9.984 3.009 1.00 4.44 H +ATOM 140 HB2 ARG A 8 -3.286 -9.236 3.931 1.00 22.50 H +ATOM 141 HB3 ARG A 8 -4.058 -10.030 2.567 1.00 37.76 H +ATOM 142 HG2 ARG A 8 -3.120 -12.181 3.305 1.00 44.44 H +ATOM 143 HG3 ARG A 8 -2.388 -11.371 4.691 1.00 37.76 H +ATOM 144 HD2 ARG A 8 -4.684 -10.654 5.390 1.00 22.41 H +ATOM 145 HD3 ARG A 8 -5.336 -11.649 4.086 1.00 37.76 H +ATOM 146 HE ARG A 8 -4.229 -12.555 6.600 1.00 64.31 H +ATOM 147 HH11 ARG A 8 -5.120 -13.456 3.392 1.00 24.33 H +ATOM 148 HH12 ARG A 8 -5.281 -15.128 3.792 1.00 63.05 H +ATOM 149 HH21 ARG A 8 -4.452 -14.699 7.098 1.00 4.51 H +ATOM 150 HH22 ARG A 8 -4.907 -15.823 5.863 1.00 71.20 H +ATOM 151 N GLY A 9 -0.856 -11.686 1.183 1.00 14.34 N +ATOM 152 CA GLY A 9 -0.648 -12.564 0.028 1.00 43.01 C +ATOM 153 C GLY A 9 -0.148 -13.955 0.394 1.00 42.35 C +ATOM 154 O GLY A 9 -0.121 -14.327 1.566 1.00 61.33 O +ATOM 155 H GLY A 9 -0.245 -11.733 1.951 1.00 37.76 H +ATOM 156 HA2 GLY A 9 -1.582 -12.667 -0.505 1.00 74.12 H +ATOM 157 HA3 GLY A 9 0.074 -12.100 -0.629 1.00 37.76 H +ATOM 158 N ASP A 10 0.240 -14.732 -0.613 1.00 11.42 N +ATOM 159 CA ASP A 10 0.714 -16.103 -0.394 1.00 51.34 C +ATOM 160 C ASP A 10 2.249 -16.224 -0.506 1.00 3.24 C +ATOM 161 O ASP A 10 2.887 -16.848 0.346 1.00 12.13 O +ATOM 162 CB ASP A 10 0.012 -17.062 -1.363 1.00 74.11 C +ATOM 163 CG ASP A 10 0.038 -16.567 -2.796 1.00 24.20 C +ATOM 164 OD1 ASP A 10 -0.790 -15.695 -3.145 1.00 40.12 O +ATOM 165 OD2 ASP A 10 0.878 -17.047 -3.576 1.00 73.33 O1- +ATOM 166 H ASP A 10 0.195 -14.383 -1.529 1.00 37.76 H +ATOM 167 HA ASP A 10 0.435 -16.380 0.614 1.00 20.01 H +ATOM 168 HB2 ASP A 10 0.498 -18.027 -1.323 1.00 4.15 H +ATOM 169 HB3 ASP A 10 -1.019 -17.175 -1.060 1.00 37.76 H +ATOM 170 N ASP A 11 2.844 -15.646 -1.551 1.00 65.00 N +ATOM 171 CA ASP A 11 4.308 -15.650 -1.695 1.00 54.35 C +ATOM 172 C ASP A 11 4.927 -14.301 -1.269 1.00 52.53 C +ATOM 173 O ASP A 11 4.282 -13.253 -1.345 1.00 52.21 O +ATOM 174 CB ASP A 11 4.710 -16.002 -3.135 1.00 60.33 C +ATOM 175 CG ASP A 11 4.264 -14.969 -4.160 1.00 62.24 C +ATOM 176 OD1 ASP A 11 5.002 -13.987 -4.371 1.00 42.51 O +ATOM 177 OD2 ASP A 11 3.194 -15.152 -4.776 1.00 73.11 O1- +ATOM 178 H ASP A 11 2.295 -15.227 -2.248 1.00 37.76 H +ATOM 179 HA ASP A 11 4.694 -16.417 -1.036 1.00 61.22 H +ATOM 180 HB2 ASP A 11 5.786 -16.095 -3.189 1.00 13.43 H +ATOM 181 HB3 ASP A 11 4.265 -16.954 -3.396 1.00 37.76 H +ATOM 182 N LEU A 12 6.185 -14.337 -0.821 1.00 52.32 N +ATOM 183 CA LEU A 12 6.871 -13.133 -0.325 1.00 64.21 C +ATOM 184 C LEU A 12 7.079 -12.087 -1.431 1.00 62.23 C +ATOM 185 O LEU A 12 6.988 -10.881 -1.186 1.00 55.20 O +ATOM 186 CB LEU A 12 8.230 -13.507 0.285 1.00 25.23 C +ATOM 187 CG LEU A 12 9.045 -12.323 0.838 1.00 52.04 C +ATOM 188 CD1 LEU A 12 8.330 -11.677 2.024 1.00 54.04 C +ATOM 189 CD2 LEU A 12 10.455 -12.765 1.226 1.00 52.43 C +ATOM 190 H LEU A 12 6.663 -15.190 -0.824 1.00 37.76 H +ATOM 191 HA LEU A 12 6.253 -12.699 0.448 1.00 54.24 H +ATOM 192 HB2 LEU A 12 8.058 -14.209 1.089 1.00 74.10 H +ATOM 193 HB3 LEU A 12 8.820 -13.998 -0.478 1.00 37.76 H +ATOM 194 HG LEU A 12 9.137 -11.573 0.065 1.00 15.55 H +ATOM 195 HD11 LEU A 12 8.194 -12.408 2.810 1.00 13.04 H +ATOM 196 HD12 LEU A 12 7.366 -11.309 1.707 1.00 42.11 H +ATOM 197 HD13 LEU A 12 8.921 -10.853 2.397 1.00 31.23 H +ATOM 198 HD21 LEU A 12 10.399 -13.542 1.975 1.00 12.33 H +ATOM 199 HD22 LEU A 12 11.002 -11.920 1.622 1.00 41.11 H +ATOM 200 HD23 LEU A 12 10.965 -13.142 0.352 1.00 73.40 H +ATOM 201 N GLU A 13 7.359 -12.556 -2.642 1.00 11.23 N +ATOM 202 CA GLU A 13 7.630 -11.669 -3.781 1.00 52.44 C +ATOM 203 C GLU A 13 6.444 -10.730 -4.050 1.00 11.30 C +ATOM 204 O GLU A 13 6.631 -9.586 -4.472 1.00 72.31 O +ATOM 205 CB GLU A 13 7.961 -12.495 -5.036 1.00 43.22 C +ATOM 206 CG GLU A 13 9.316 -13.207 -4.984 1.00 5.15 C +ATOM 207 CD GLU A 13 9.482 -14.122 -3.776 1.00 2.33 C +ATOM 208 OE1 GLU A 13 8.641 -15.028 -3.584 1.00 11.35 O +ATOM 209 OE2 GLU A 13 10.460 -13.947 -3.015 1.00 72.54 O1- +ATOM 210 H GLU A 13 7.378 -13.526 -2.782 1.00 37.76 H +ATOM 211 HA GLU A 13 8.490 -11.067 -3.526 1.00 11.40 H +ATOM 212 HB2 GLU A 13 7.192 -13.245 -5.175 1.00 43.50 H +ATOM 213 HB3 GLU A 13 7.961 -11.837 -5.896 1.00 37.76 H +ATOM 214 HG2 GLU A 13 9.427 -13.803 -5.880 1.00 40.30 H +ATOM 215 HG3 GLU A 13 10.096 -12.457 -4.961 1.00 37.76 H +ATOM 216 N ALA A 14 5.230 -11.215 -3.790 1.00 74.32 N +ATOM 217 CA ALA A 14 4.025 -10.385 -3.884 1.00 54.41 C +ATOM 218 C ALA A 14 4.137 -9.140 -2.986 1.00 43.03 C +ATOM 219 O ALA A 14 3.830 -8.024 -3.406 1.00 64.25 O +ATOM 220 CB ALA A 14 2.793 -11.207 -3.513 1.00 44.54 C +ATOM 221 H ALA A 14 5.141 -12.161 -3.541 1.00 37.76 H +ATOM 222 HA ALA A 14 3.921 -10.067 -4.914 1.00 54.55 H +ATOM 223 HB1 ALA A 14 2.845 -11.487 -2.469 1.00 42.35 H +ATOM 224 HB2 ALA A 14 2.756 -12.099 -4.121 1.00 3.01 H +ATOM 225 HB3 ALA A 14 1.902 -10.621 -3.683 1.00 5.14 H +ATOM 226 N PHE A 15 4.594 -9.346 -1.748 1.00 65.23 N +ATOM 227 CA PHE A 15 4.828 -8.242 -0.808 1.00 32.01 C +ATOM 228 C PHE A 15 5.994 -7.361 -1.281 1.00 54.32 C +ATOM 229 O PHE A 15 5.899 -6.135 -1.297 1.00 30.53 O +ATOM 230 CB PHE A 15 5.149 -8.787 0.594 1.00 41.21 C +ATOM 231 CG PHE A 15 4.072 -9.661 1.189 1.00 3.15 C +ATOM 232 CD1 PHE A 15 3.057 -9.111 1.960 1.00 21.25 C +ATOM 233 CD2 PHE A 15 4.083 -11.033 0.987 1.00 14.04 C +ATOM 234 CE1 PHE A 15 2.079 -9.914 2.516 1.00 24.52 C +ATOM 235 CE2 PHE A 15 3.105 -11.838 1.539 1.00 21.42 C +ATOM 236 CZ PHE A 15 2.103 -11.278 2.304 1.00 43.31 C +ATOM 237 H PHE A 15 4.780 -10.264 -1.461 1.00 37.76 H +ATOM 238 HA PHE A 15 3.928 -7.643 -0.759 1.00 61.11 H +ATOM 239 HB2 PHE A 15 6.056 -9.373 0.543 1.00 53.02 H +ATOM 240 HB3 PHE A 15 5.312 -7.953 1.267 1.00 37.76 H +ATOM 241 HD1 PHE A 15 3.036 -8.044 2.125 1.00 5.13 H +ATOM 242 HD2 PHE A 15 4.866 -11.473 0.388 1.00 74.52 H +ATOM 243 HE1 PHE A 15 1.295 -9.473 3.114 1.00 24.33 H +ATOM 244 HE2 PHE A 15 3.126 -12.905 1.372 1.00 5.31 H +ATOM 245 HZ PHE A 15 1.339 -11.906 2.739 1.00 62.45 H +ATOM 246 N GLU A 16 7.091 -8.011 -1.664 1.00 41.42 N +ATOM 247 CA GLU A 16 8.313 -7.328 -2.108 1.00 25.40 C +ATOM 248 C GLU A 16 8.040 -6.337 -3.254 1.00 73.34 C +ATOM 249 O GLU A 16 8.312 -5.141 -3.137 1.00 11.32 O +ATOM 250 CB GLU A 16 9.335 -8.381 -2.566 1.00 24.40 C +ATOM 251 CG GLU A 16 10.641 -7.815 -3.121 1.00 35.44 C +ATOM 252 CD GLU A 16 11.526 -7.188 -2.054 1.00 1.33 C +ATOM 253 OE1 GLU A 16 11.875 -7.891 -1.082 1.00 63.22 O +ATOM 254 OE2 GLU A 16 11.889 -6.002 -2.191 1.00 31.23 O1- +ATOM 255 H GLU A 16 7.079 -8.992 -1.653 1.00 37.76 H +ATOM 256 HA GLU A 16 8.719 -6.787 -1.264 1.00 1.31 H +ATOM 257 HB2 GLU A 16 9.577 -9.015 -1.726 1.00 23.12 H +ATOM 258 HB3 GLU A 16 8.881 -8.990 -3.336 1.00 37.76 H +ATOM 259 HG2 GLU A 16 11.192 -8.617 -3.594 1.00 20.22 H +ATOM 260 HG3 GLU A 16 10.403 -7.064 -3.862 1.00 37.76 H +ATOM 261 N LYS A 17 7.486 -6.845 -4.353 1.00 62.51 N +ATOM 262 CA LYS A 17 7.235 -6.028 -5.543 1.00 73.55 C +ATOM 263 C LYS A 17 6.187 -4.935 -5.269 1.00 1.42 C +ATOM 264 O LYS A 17 6.401 -3.770 -5.601 1.00 2.52 O +ATOM 265 CB LYS A 17 6.782 -6.917 -6.711 1.00 41.05 C +ATOM 266 CG LYS A 17 7.776 -8.022 -7.077 1.00 70.23 C +ATOM 267 CD LYS A 17 9.116 -7.459 -7.550 1.00 62.01 C +ATOM 268 CE LYS A 17 10.117 -8.568 -7.869 1.00 62.15 C +ATOM 269 NZ LYS A 17 11.396 -8.024 -8.397 1.00 61.10 N1+ +ATOM 270 H LYS A 17 7.240 -7.795 -4.367 1.00 37.76 H +ATOM 271 HA LYS A 17 8.166 -5.550 -5.813 1.00 3.32 H +ATOM 272 HB2 LYS A 17 5.841 -7.383 -6.450 1.00 13.42 H +ATOM 273 HB3 LYS A 17 6.631 -6.296 -7.585 1.00 37.76 H +ATOM 274 HG2 LYS A 17 7.945 -8.641 -6.207 1.00 54.42 H +ATOM 275 HG3 LYS A 17 7.350 -8.625 -7.868 1.00 37.76 H +ATOM 276 HD2 LYS A 17 8.953 -6.871 -8.442 1.00 74.01 H +ATOM 277 HD3 LYS A 17 9.527 -6.829 -6.774 1.00 37.76 H +ATOM 278 HE2 LYS A 17 10.321 -9.124 -6.966 1.00 14.10 H +ATOM 279 HE3 LYS A 17 9.685 -9.230 -8.607 1.00 37.76 H +ATOM 280 HZ1 LYS A 17 11.841 -7.399 -7.697 1.00 41.13 H +ATOM 281 HZ2 LYS A 17 11.221 -7.481 -9.268 1.00 44.41 H +ATOM 282 HZ3 LYS A 17 12.053 -8.801 -8.614 1.00 65.22 H +ATOM 283 N ALA A 18 5.063 -5.311 -4.651 1.00 13.43 N +ATOM 284 CA ALA A 18 3.994 -4.351 -4.333 1.00 64.43 C +ATOM 285 C ALA A 18 4.511 -3.199 -3.452 1.00 12.12 C +ATOM 286 O ALA A 18 4.315 -2.022 -3.767 1.00 22.41 O +ATOM 287 CB ALA A 18 2.832 -5.063 -3.648 1.00 42.25 C +ATOM 288 H ALA A 18 4.949 -6.254 -4.398 1.00 37.76 H +ATOM 289 HA ALA A 18 3.633 -3.940 -5.265 1.00 1.42 H +ATOM 290 HB1 ALA A 18 2.049 -4.350 -3.434 1.00 73.31 H +ATOM 291 HB2 ALA A 18 3.173 -5.510 -2.725 1.00 10.44 H +ATOM 292 HB3 ALA A 18 2.445 -5.833 -4.300 1.00 50.14 H +ATOM 293 N LEU A 19 5.181 -3.548 -2.356 1.00 45.31 N +ATOM 294 CA LEU A 19 5.776 -2.557 -1.448 1.00 63.42 C +ATOM 295 C LEU A 19 6.781 -1.654 -2.182 1.00 64.42 C +ATOM 296 O LEU A 19 6.774 -0.431 -2.023 1.00 5.12 O +ATOM 297 CB LEU A 19 6.476 -3.272 -0.283 1.00 21.03 C +ATOM 298 CG LEU A 19 7.311 -2.377 0.656 1.00 70.54 C +ATOM 299 CD1 LEU A 19 6.433 -1.349 1.366 1.00 72.10 C +ATOM 300 CD2 LEU A 19 8.074 -3.227 1.671 1.00 43.01 C +ATOM 301 H LEU A 19 5.282 -4.503 -2.147 1.00 37.76 H +ATOM 302 HA LEU A 19 4.976 -1.945 -1.056 1.00 45.10 H +ATOM 303 HB2 LEU A 19 5.720 -3.770 0.307 1.00 22.20 H +ATOM 304 HB3 LEU A 19 7.132 -4.026 -0.698 1.00 37.76 H +ATOM 305 HG LEU A 19 8.037 -1.834 0.067 1.00 15.25 H +ATOM 306 HD11 LEU A 19 5.682 -1.859 1.953 1.00 11.34 H +ATOM 307 HD12 LEU A 19 5.950 -0.721 0.632 1.00 54.21 H +ATOM 308 HD13 LEU A 19 7.045 -0.738 2.015 1.00 11.11 H +ATOM 309 HD21 LEU A 19 7.375 -3.774 2.289 1.00 1.23 H +ATOM 310 HD22 LEU A 19 8.679 -2.585 2.297 1.00 12.31 H +ATOM 311 HD23 LEU A 19 8.714 -3.924 1.150 1.00 23.14 H +ATOM 312 N LYS A 20 7.635 -2.268 -2.995 1.00 74.41 N +ATOM 313 CA LYS A 20 8.700 -1.544 -3.688 1.00 61.42 C +ATOM 314 C LYS A 20 8.138 -0.573 -4.740 1.00 3.03 C +ATOM 315 O LYS A 20 8.727 0.476 -4.999 1.00 53.35 O +ATOM 316 CB LYS A 20 9.666 -2.543 -4.328 1.00 34.11 C +ATOM 317 CG LYS A 20 11.034 -1.954 -4.671 1.00 31.44 C +ATOM 318 CD LYS A 20 12.112 -3.027 -4.620 1.00 74.24 C +ATOM 319 CE LYS A 20 13.508 -2.464 -4.847 1.00 52.11 C +ATOM 320 NZ LYS A 20 14.549 -3.516 -4.703 1.00 31.53 N1+ +ATOM 321 H LYS A 20 7.550 -3.240 -3.130 1.00 37.76 H +ATOM 322 HA LYS A 20 9.240 -0.975 -2.944 1.00 5.35 H +ATOM 323 HB2 LYS A 20 9.813 -3.367 -3.644 1.00 3.34 H +ATOM 324 HB3 LYS A 20 9.222 -2.924 -5.239 1.00 37.76 H +ATOM 325 HG2 LYS A 20 11.000 -1.535 -5.667 1.00 64.01 H +ATOM 326 HG3 LYS A 20 11.275 -1.176 -3.958 1.00 37.76 H +ATOM 327 HD2 LYS A 20 12.082 -3.490 -3.645 1.00 61.41 H +ATOM 328 HD3 LYS A 20 11.904 -3.770 -5.377 1.00 37.76 H +ATOM 329 HE2 LYS A 20 13.563 -2.052 -5.845 1.00 61.12 H +ATOM 330 HE3 LYS A 20 13.695 -1.684 -4.124 1.00 37.76 H +ATOM 331 HZ1 LYS A 20 14.431 -4.243 -5.439 1.00 4.22 H +ATOM 332 HZ2 LYS A 20 14.471 -3.969 -3.771 1.00 64.33 H +ATOM 333 HZ3 LYS A 20 15.496 -3.102 -4.793 1.00 53.04 H +ATOM 334 N GLU A 21 7.004 -0.925 -5.346 1.00 0.51 N +ATOM 335 CA GLU A 21 6.317 -0.023 -6.280 1.00 61.15 C +ATOM 336 C GLU A 21 5.693 1.174 -5.548 1.00 50.14 C +ATOM 337 O GLU A 21 5.725 2.304 -6.044 1.00 65.34 O +ATOM 338 CB GLU A 21 5.243 -0.780 -7.076 1.00 13.03 C +ATOM 339 CG GLU A 21 5.813 -1.770 -8.087 1.00 45.23 C +ATOM 340 CD GLU A 21 6.682 -1.100 -9.143 1.00 2.40 C +ATOM 341 OE1 GLU A 21 6.128 -0.553 -10.117 1.00 54.01 O +ATOM 342 OE2 GLU A 21 7.923 -1.118 -9.008 1.00 22.24 O1- +ATOM 343 H GLU A 21 6.627 -1.818 -5.176 1.00 37.76 H +ATOM 344 HA GLU A 21 7.060 0.349 -6.972 1.00 53.35 H +ATOM 345 HB2 GLU A 21 4.616 -1.326 -6.385 1.00 34.05 H +ATOM 346 HB3 GLU A 21 4.633 -0.065 -7.611 1.00 37.76 H +ATOM 347 HG2 GLU A 21 6.411 -2.501 -7.559 1.00 73.53 H +ATOM 348 HG3 GLU A 21 4.993 -2.272 -8.581 1.00 37.76 H +ATOM 349 N MET A 22 5.130 0.922 -4.366 1.00 42.12 N +ATOM 350 CA MET A 22 4.609 2.002 -3.521 1.00 21.42 C +ATOM 351 C MET A 22 5.730 2.988 -3.154 1.00 33.51 C +ATOM 352 O MET A 22 5.601 4.192 -3.365 1.00 40.21 O +ATOM 353 CB MET A 22 3.962 1.434 -2.250 1.00 4.41 C +ATOM 354 CG MET A 22 2.741 0.560 -2.521 1.00 74.02 C +ATOM 355 SD MET A 22 1.483 1.402 -3.508 1.00 13.12 S +ATOM 356 CE MET A 22 1.113 2.821 -2.478 1.00 73.24 C +ATOM 357 H MET A 22 5.054 -0.008 -4.060 1.00 37.76 H +ATOM 358 HA MET A 22 3.857 2.531 -4.091 1.00 4.43 H +ATOM 359 HB2 MET A 22 4.693 0.839 -1.720 1.00 32.30 H +ATOM 360 HB3 MET A 22 3.655 2.255 -1.616 1.00 37.76 H +ATOM 361 HG2 MET A 22 3.060 -0.325 -3.054 1.00 35.13 H +ATOM 362 HG3 MET A 22 2.303 0.270 -1.576 1.00 37.76 H +ATOM 363 HE1 MET A 22 2.009 3.405 -2.337 1.00 62.53 H +ATOM 364 HE2 MET A 22 0.748 2.484 -1.518 1.00 2.02 H +ATOM 365 HE3 MET A 22 0.359 3.427 -2.957 1.00 41.23 H +ATOM 366 N ILE A 23 6.836 2.462 -2.621 1.00 4.11 N +ATOM 367 CA ILE A 23 8.018 3.278 -2.300 1.00 12.20 C +ATOM 368 C ILE A 23 8.549 4.006 -3.550 1.00 40.43 C +ATOM 369 O ILE A 23 8.930 5.176 -3.492 1.00 63.31 O +ATOM 370 CB ILE A 23 9.147 2.395 -1.699 1.00 52.00 C +ATOM 371 CG1 ILE A 23 8.678 1.739 -0.387 1.00 3.51 C +ATOM 372 CG2 ILE A 23 10.422 3.212 -1.470 1.00 74.01 C +ATOM 373 CD1 ILE A 23 9.709 0.822 0.246 1.00 41.32 C +ATOM 374 H ILE A 23 6.857 1.497 -2.436 1.00 37.76 H +ATOM 375 HA ILE A 23 7.726 4.012 -1.561 1.00 13.42 H +ATOM 376 HB ILE A 23 9.378 1.617 -2.414 1.00 2.51 H +ATOM 377 HG12 ILE A 23 8.439 2.512 0.330 1.00 21.14 H +ATOM 378 HG13 ILE A 23 7.791 1.153 -0.583 1.00 37.76 H +ATOM 379 HG21 ILE A 23 10.758 3.628 -2.407 1.00 35.44 H +ATOM 380 HG22 ILE A 23 11.192 2.570 -1.067 1.00 64.35 H +ATOM 381 HG23 ILE A 23 10.220 4.013 -0.772 1.00 22.13 H +ATOM 382 HD11 ILE A 23 9.315 0.425 1.171 1.00 14.34 H +ATOM 383 HD12 ILE A 23 10.611 1.379 0.450 1.00 11.44 H +ATOM 384 HD13 ILE A 23 9.931 0.009 -0.429 1.00 14.55 H +ATOM 385 N ARG A 24 8.545 3.296 -4.677 1.00 65.31 N +ATOM 386 CA ARG A 24 9.006 3.826 -5.969 1.00 5.02 C +ATOM 387 C ARG A 24 8.392 5.207 -6.274 1.00 60.14 C +ATOM 388 O ARG A 24 9.111 6.189 -6.470 1.00 12.14 O +ATOM 389 CB ARG A 24 8.626 2.822 -7.067 1.00 12.10 C +ATOM 390 CG ARG A 24 9.138 3.146 -8.468 1.00 1.40 C +ATOM 391 CD ARG A 24 8.634 2.107 -9.468 1.00 54.41 C +ATOM 392 NE ARG A 24 9.192 2.272 -10.809 1.00 13.03 N +ATOM 393 CZ ARG A 24 9.101 1.365 -11.747 1.00 1.25 C +ATOM 394 NH1 ARG A 24 8.490 0.241 -11.529 1.00 30.41 N1+ +ATOM 395 NH2 ARG A 24 9.610 1.586 -12.913 1.00 54.15 N +ATOM 396 H ARG A 24 8.222 2.371 -4.642 1.00 37.76 H +ATOM 397 HA ARG A 24 10.082 3.918 -5.931 1.00 3.43 H +ATOM 398 HB2 ARG A 24 9.012 1.852 -6.792 1.00 1.33 H +ATOM 399 HB3 ARG A 24 7.546 2.761 -7.112 1.00 37.76 H +ATOM 400 HG2 ARG A 24 8.779 4.123 -8.758 1.00 53.14 H +ATOM 401 HG3 ARG A 24 10.219 3.140 -8.463 1.00 37.76 H +ATOM 402 HD2 ARG A 24 8.897 1.124 -9.104 1.00 60.01 H +ATOM 403 HD3 ARG A 24 7.556 2.185 -9.527 1.00 37.76 H +ATOM 404 HE ARG A 24 9.657 3.109 -11.013 1.00 53.33 H +ATOM 405 HH11 ARG A 24 8.077 0.057 -10.635 1.00 33.25 H +ATOM 406 HH12 ARG A 24 8.434 -0.442 -12.254 1.00 11.24 H +ATOM 407 HH21 ARG A 24 10.074 2.451 -13.095 1.00 22.44 H +ATOM 408 HH22 ARG A 24 9.542 0.891 -13.624 1.00 41.33 H +ATOM 409 N GLN A 25 7.061 5.275 -6.322 1.00 51.13 N +ATOM 410 CA GLN A 25 6.361 6.548 -6.566 1.00 4.12 C +ATOM 411 C GLN A 25 6.354 7.459 -5.329 1.00 1.40 C +ATOM 412 O GLN A 25 6.502 8.675 -5.447 1.00 23.22 O +ATOM 413 CB GLN A 25 4.920 6.304 -7.025 1.00 11.52 C +ATOM 414 CG GLN A 25 4.810 5.638 -8.390 1.00 62.03 C +ATOM 415 CD GLN A 25 3.379 5.591 -8.891 1.00 50.10 C +ATOM 416 NE2 GLN A 25 2.668 4.540 -8.556 1.00 11.15 N +ATOM 417 OE1 GLN A 25 2.913 6.503 -9.570 1.00 52.05 O +ATOM 418 H GLN A 25 6.535 4.453 -6.195 1.00 37.76 H +ATOM 419 HA GLN A 25 6.891 7.057 -7.359 1.00 32.14 H +ATOM 420 HB2 GLN A 25 4.424 5.672 -6.299 1.00 63.54 H +ATOM 421 HB3 GLN A 25 4.405 7.255 -7.069 1.00 37.76 H +ATOM 422 HG2 GLN A 25 5.407 6.195 -9.099 1.00 33.11 H +ATOM 423 HG3 GLN A 25 5.186 4.627 -8.318 1.00 37.76 H +ATOM 424 HE21 GLN A 25 3.090 3.846 -8.008 1.00 65.43 H +ATOM 425 HE22 GLN A 25 1.746 4.487 -8.879 1.00 71.23 H +ATOM 426 N ALA A 26 6.177 6.867 -4.147 1.00 50.25 N +ATOM 427 CA ALA A 26 6.046 7.631 -2.896 1.00 33.14 C +ATOM 428 C ALA A 26 7.230 8.582 -2.659 1.00 35.03 C +ATOM 429 O ALA A 26 7.075 9.631 -2.035 1.00 61.35 O +ATOM 430 CB ALA A 26 5.893 6.680 -1.718 1.00 0.24 C +ATOM 431 H ALA A 26 6.132 5.887 -4.109 1.00 37.76 H +ATOM 432 HA ALA A 26 5.140 8.219 -2.966 1.00 12.10 H +ATOM 433 HB1 ALA A 26 5.702 7.245 -0.818 1.00 2.35 H +ATOM 434 HB2 ALA A 26 6.800 6.105 -1.597 1.00 3.22 H +ATOM 435 HB3 ALA A 26 5.064 6.009 -1.902 1.00 22.33 H +ATOM 436 N ARG A 27 8.410 8.211 -3.154 1.00 32.15 N +ATOM 437 CA ARG A 27 9.604 9.059 -3.033 1.00 23.51 C +ATOM 438 C ARG A 27 9.411 10.430 -3.707 1.00 73.52 C +ATOM 439 O ARG A 27 10.017 11.422 -3.296 1.00 12.43 O +ATOM 440 CB ARG A 27 10.828 8.353 -3.629 1.00 41.14 C +ATOM 441 CG ARG A 27 11.279 7.127 -2.840 1.00 64.14 C +ATOM 442 CD ARG A 27 12.522 6.490 -3.452 1.00 60.03 C +ATOM 443 NE ARG A 27 13.622 7.447 -3.572 1.00 51.30 N +ATOM 444 CZ ARG A 27 14.799 7.156 -4.057 1.00 63.31 C +ATOM 445 NH1 ARG A 27 15.080 5.948 -4.432 1.00 3.53 N1+ +ATOM 446 NH2 ARG A 27 15.698 8.081 -4.154 1.00 51.23 N +ATOM 447 H ARG A 27 8.485 7.338 -3.602 1.00 37.76 H +ATOM 448 HA ARG A 27 9.779 9.221 -1.978 1.00 43.34 H +ATOM 449 HB2 ARG A 27 10.593 8.040 -4.636 1.00 11.42 H +ATOM 450 HB3 ARG A 27 11.652 9.054 -3.663 1.00 37.76 H +ATOM 451 HG2 ARG A 27 11.503 7.424 -1.826 1.00 61.54 H +ATOM 452 HG3 ARG A 27 10.479 6.400 -2.833 1.00 37.76 H +ATOM 453 HD2 ARG A 27 12.837 5.670 -2.822 1.00 52.33 H +ATOM 454 HD3 ARG A 27 12.273 6.114 -4.434 1.00 37.76 H +ATOM 455 HE ARG A 27 13.457 8.363 -3.280 1.00 5.20 H +ATOM 456 HH11 ARG A 27 14.395 5.225 -4.348 1.00 13.00 H +ATOM 457 HH12 ARG A 27 15.979 5.740 -4.809 1.00 2.23 H +ATOM 458 HH21 ARG A 27 15.490 9.013 -3.863 1.00 13.42 H +ATOM 459 HH22 ARG A 27 16.599 7.860 -4.521 1.00 20.40 H +ATOM 460 N LYS A 28 8.574 10.480 -4.742 1.00 60.32 N +ATOM 461 CA LYS A 28 8.290 11.735 -5.454 1.00 30.14 C +ATOM 462 C LYS A 28 7.377 12.658 -4.630 1.00 24.14 C +ATOM 463 O LYS A 28 7.249 13.842 -4.929 1.00 15.52 O +ATOM 464 CB LYS A 28 7.640 11.456 -6.821 1.00 31.43 C +ATOM 465 CG LYS A 28 8.588 10.874 -7.872 1.00 10.25 C +ATOM 466 CD LYS A 28 9.044 9.458 -7.533 1.00 74.12 C +ATOM 467 CE LYS A 28 9.990 8.903 -8.591 1.00 65.13 C +ATOM 468 NZ LYS A 28 10.389 7.500 -8.304 1.00 15.33 N1+ +ATOM 469 H LYS A 28 8.128 9.657 -5.032 1.00 37.76 H +ATOM 470 HA LYS A 28 9.235 12.240 -5.615 1.00 13.33 H +ATOM 471 HB2 LYS A 28 6.826 10.759 -6.681 1.00 71.53 H +ATOM 472 HB3 LYS A 28 7.238 12.383 -7.210 1.00 37.76 H +ATOM 473 HG2 LYS A 28 8.082 10.856 -8.826 1.00 75.22 H +ATOM 474 HG3 LYS A 28 9.460 11.512 -7.944 1.00 37.76 H +ATOM 475 HD2 LYS A 28 9.558 9.473 -6.582 1.00 14.41 H +ATOM 476 HD3 LYS A 28 8.177 8.816 -7.464 1.00 37.76 H +ATOM 477 HE2 LYS A 28 9.498 8.936 -9.552 1.00 71.13 H +ATOM 478 HE3 LYS A 28 10.876 9.520 -8.621 1.00 37.76 H +ATOM 479 HZ1 LYS A 28 10.870 7.447 -7.385 1.00 53.32 H +ATOM 480 HZ2 LYS A 28 11.037 7.158 -9.041 1.00 34.14 H +ATOM 481 HZ3 LYS A 28 9.550 6.882 -8.283 1.00 13.13 H +ATOM 482 N PHE A 29 6.744 12.109 -3.596 1.00 13.13 N +ATOM 483 CA PHE A 29 5.833 12.879 -2.743 1.00 24.32 C +ATOM 484 C PHE A 29 6.428 13.079 -1.341 1.00 31.51 C +ATOM 485 O PHE A 29 7.176 12.233 -0.845 1.00 34.31 O +ATOM 486 CB PHE A 29 4.478 12.162 -2.644 1.00 24.22 C +ATOM 487 CG PHE A 29 3.873 11.837 -3.989 1.00 75.34 C +ATOM 488 CD1 PHE A 29 3.301 12.832 -4.770 1.00 73.14 C +ATOM 489 CD2 PHE A 29 3.881 10.535 -4.475 1.00 23.12 C +ATOM 490 CE1 PHE A 29 2.753 12.538 -6.004 1.00 42.15 C +ATOM 491 CE2 PHE A 29 3.333 10.238 -5.707 1.00 14.43 C +ATOM 492 CZ PHE A 29 2.769 11.239 -6.473 1.00 31.54 C +ATOM 493 H PHE A 29 6.894 11.162 -3.395 1.00 37.76 H +ATOM 494 HA PHE A 29 5.685 13.850 -3.199 1.00 73.01 H +ATOM 495 HB2 PHE A 29 4.609 11.235 -2.102 1.00 24.30 H +ATOM 496 HB3 PHE A 29 3.782 12.790 -2.106 1.00 37.76 H +ATOM 497 HD1 PHE A 29 3.287 13.851 -4.405 1.00 74.04 H +ATOM 498 HD2 PHE A 29 4.322 9.748 -3.880 1.00 35.22 H +ATOM 499 HE1 PHE A 29 2.312 13.323 -6.601 1.00 21.30 H +ATOM 500 HE2 PHE A 29 3.347 9.220 -6.074 1.00 54.42 H +ATOM 501 HZ PHE A 29 2.341 11.007 -7.437 1.00 64.33 H +ATOM 502 N ALA A 30 6.088 14.194 -0.698 1.00 2.41 N +ATOM 503 CA ALA A 30 6.583 14.489 0.653 1.00 12.41 C +ATOM 504 C ALA A 30 5.815 13.693 1.723 1.00 45.21 C +ATOM 505 O ALA A 30 5.205 14.264 2.632 1.00 54.11 O +ATOM 506 CB ALA A 30 6.492 15.987 0.925 1.00 24.02 C +ATOM 507 H ALA A 30 5.497 14.841 -1.142 1.00 37.76 H +ATOM 508 HA ALA A 30 7.626 14.206 0.692 1.00 74.21 H +ATOM 509 HB1 ALA A 30 6.890 16.200 1.905 1.00 34.14 H +ATOM 510 HB2 ALA A 30 5.458 16.300 0.881 1.00 54.32 H +ATOM 511 HB3 ALA A 30 7.063 16.525 0.180 1.00 5.01 H +ATOM 512 N GLY A 31 5.842 12.367 1.599 1.00 31.31 N +ATOM 513 CA GLY A 31 5.149 11.493 2.541 1.00 72.03 C +ATOM 514 C GLY A 31 6.043 10.367 3.050 1.00 1.54 C +ATOM 515 O GLY A 31 6.720 9.701 2.265 1.00 54.00 O +ATOM 516 H GLY A 31 6.351 11.972 0.858 1.00 37.76 H +ATOM 517 HA2 GLY A 31 4.804 12.078 3.383 1.00 73.31 H +ATOM 518 HA3 GLY A 31 4.292 11.060 2.045 1.00 37.76 H +ATOM 519 N THR A 32 6.042 10.147 4.361 1.00 23.31 N +ATOM 520 CA THR A 32 6.923 9.147 4.980 1.00 52.35 C +ATOM 521 C THR A 32 6.291 7.746 4.961 1.00 41.43 C +ATOM 522 O THR A 32 5.245 7.517 5.568 1.00 72.52 O +ATOM 523 CB THR A 32 7.266 9.530 6.443 1.00 71.30 C +ATOM 524 CG2 THR A 32 8.318 8.591 7.021 1.00 30.55 C +ATOM 525 OG1 THR A 32 7.757 10.884 6.494 1.00 13.40 O +ATOM 526 H THR A 32 5.430 10.664 4.928 1.00 37.76 H +ATOM 527 HA THR A 32 7.845 9.121 4.415 1.00 35.02 H +ATOM 528 HB THR A 32 6.367 9.458 7.041 1.00 72.02 H +ATOM 529 HG1 THR A 32 8.479 10.939 7.138 1.00 72.10 H +ATOM 530 HG21 THR A 32 7.967 7.570 6.965 1.00 5.05 H +ATOM 531 HG22 THR A 32 8.504 8.850 8.053 1.00 74.11 H +ATOM 532 HG23 THR A 32 9.235 8.687 6.457 1.00 54.12 H +ATOM 533 N VAL A 33 6.941 6.808 4.271 1.00 71.42 N +ATOM 534 CA VAL A 33 6.409 5.449 4.119 1.00 23.02 C +ATOM 535 C VAL A 33 6.929 4.503 5.214 1.00 61.43 C +ATOM 536 O VAL A 33 8.107 4.133 5.234 1.00 44.41 O +ATOM 537 CB VAL A 33 6.765 4.862 2.730 1.00 73.23 C +ATOM 538 CG1 VAL A 33 6.175 3.462 2.556 1.00 11.52 C +ATOM 539 CG2 VAL A 33 6.292 5.794 1.617 1.00 43.11 C +ATOM 540 H VAL A 33 7.799 7.031 3.853 1.00 37.76 H +ATOM 541 HA VAL A 33 5.331 5.504 4.192 1.00 42.41 H +ATOM 542 HB VAL A 33 7.843 4.782 2.664 1.00 50.53 H +ATOM 543 HG11 VAL A 33 6.420 3.084 1.574 1.00 53.43 H +ATOM 544 HG12 VAL A 33 5.101 3.506 2.665 1.00 24.03 H +ATOM 545 HG13 VAL A 33 6.583 2.799 3.307 1.00 14.52 H +ATOM 546 HG21 VAL A 33 6.774 6.756 1.720 1.00 52.44 H +ATOM 547 HG22 VAL A 33 5.221 5.920 1.681 1.00 3.12 H +ATOM 548 HG23 VAL A 33 6.545 5.368 0.657 1.00 34.20 H +ATOM 549 N THR A 34 6.041 4.112 6.122 1.00 44.52 N +ATOM 550 CA THR A 34 6.369 3.140 7.174 1.00 61.22 C +ATOM 551 C THR A 34 5.577 1.845 6.962 1.00 50.24 C +ATOM 552 O THR A 34 4.507 1.868 6.359 1.00 5.33 O +ATOM 553 CB THR A 34 6.047 3.690 8.590 1.00 42.11 C +ATOM 554 CG2 THR A 34 6.685 5.056 8.811 1.00 61.34 C +ATOM 555 OG1 THR A 34 4.627 3.794 8.777 1.00 33.24 O +ATOM 556 H THR A 34 5.133 4.480 6.084 1.00 37.76 H +ATOM 557 HA THR A 34 7.428 2.920 7.123 1.00 30.23 H +ATOM 558 HB THR A 34 6.445 3.003 9.324 1.00 12.13 H +ATOM 559 HG1 THR A 34 4.278 4.477 8.196 1.00 5.42 H +ATOM 560 HG21 THR A 34 6.424 5.421 9.794 1.00 70.34 H +ATOM 561 HG22 THR A 34 6.326 5.748 8.062 1.00 21.05 H +ATOM 562 HG23 THR A 34 7.759 4.969 8.733 1.00 72.21 H +ATOM 563 N TYR A 35 6.096 0.715 7.438 1.00 60.42 N +ATOM 564 CA TYR A 35 5.382 -0.564 7.298 1.00 14.52 C +ATOM 565 C TYR A 35 5.805 -1.597 8.354 1.00 71.55 C +ATOM 566 O TYR A 35 6.944 -1.602 8.828 1.00 10.20 O +ATOM 567 CB TYR A 35 5.566 -1.139 5.881 1.00 52.35 C +ATOM 568 CG TYR A 35 7.008 -1.372 5.464 1.00 44.20 C +ATOM 569 CD1 TYR A 35 7.754 -0.359 4.869 1.00 40.04 C +ATOM 570 CD2 TYR A 35 7.619 -2.609 5.654 1.00 30.41 C +ATOM 571 CE1 TYR A 35 9.063 -0.571 4.479 1.00 10.15 C +ATOM 572 CE2 TYR A 35 8.926 -2.828 5.265 1.00 60.05 C +ATOM 573 CZ TYR A 35 9.643 -1.806 4.680 1.00 41.14 C +ATOM 574 OH TYR A 35 10.946 -2.020 4.283 1.00 52.24 O +ATOM 575 H TYR A 35 6.968 0.737 7.886 1.00 37.76 H +ATOM 576 HA TYR A 35 4.331 -0.355 7.442 1.00 3.13 H +ATOM 577 HB2 TYR A 35 5.050 -2.088 5.818 1.00 31.43 H +ATOM 578 HB3 TYR A 35 5.123 -0.456 5.169 1.00 37.76 H +ATOM 579 HD1 TYR A 35 7.298 0.609 4.715 1.00 0.41 H +ATOM 580 HD2 TYR A 35 7.057 -3.408 6.113 1.00 21.23 H +ATOM 581 HE1 TYR A 35 9.626 0.230 4.021 1.00 3.52 H +ATOM 582 HE2 TYR A 35 9.381 -3.797 5.421 1.00 14.42 H +ATOM 583 HH TYR A 35 11.478 -1.244 4.509 1.00 62.10 H +ATOM 584 N THR A 36 4.863 -2.458 8.726 1.00 71.35 N +ATOM 585 CA THR A 36 5.121 -3.562 9.660 1.00 23.45 C +ATOM 586 C THR A 36 4.593 -4.888 9.096 1.00 40.34 C +ATOM 587 O THR A 36 3.428 -4.987 8.707 1.00 71.02 O +ATOM 588 CB THR A 36 4.457 -3.313 11.037 1.00 0.44 C +ATOM 589 CG2 THR A 36 5.061 -2.092 11.729 1.00 12.54 C +ATOM 590 OG1 THR A 36 3.045 -3.119 10.877 1.00 63.30 O +ATOM 591 H THR A 36 3.952 -2.346 8.371 1.00 37.76 H +ATOM 592 HA THR A 36 6.191 -3.642 9.807 1.00 71.32 H +ATOM 593 HB THR A 36 4.624 -4.180 11.662 1.00 71.43 H +ATOM 594 HG1 THR A 36 2.567 -3.712 11.467 1.00 0.12 H +ATOM 595 HG21 THR A 36 6.117 -2.251 11.889 1.00 44.11 H +ATOM 596 HG22 THR A 36 4.572 -1.938 12.683 1.00 3.04 H +ATOM 597 HG23 THR A 36 4.920 -1.217 11.111 1.00 24.32 H +ATOM 598 N LEU A 37 5.455 -5.901 9.037 1.00 43.41 N +ATOM 599 CA LEU A 37 5.059 -7.224 8.536 1.00 3.05 C +ATOM 600 C LEU A 37 4.726 -8.175 9.699 1.00 11.15 C +ATOM 601 O LEU A 37 5.620 -8.748 10.329 1.00 45.44 O +ATOM 602 CB LEU A 37 6.174 -7.814 7.654 1.00 71.01 C +ATOM 603 CG LEU A 37 5.864 -9.177 7.010 1.00 51.20 C +ATOM 604 CD1 LEU A 37 4.625 -9.095 6.120 1.00 52.01 C +ATOM 605 CD2 LEU A 37 7.068 -9.679 6.211 1.00 41.43 C +ATOM 606 H LEU A 37 6.380 -5.758 9.332 1.00 37.76 H +ATOM 607 HA LEU A 37 4.169 -7.096 7.932 1.00 11.53 H +ATOM 608 HB2 LEU A 37 6.385 -7.105 6.863 1.00 31.12 H +ATOM 609 HB3 LEU A 37 7.062 -7.920 8.260 1.00 37.76 H +ATOM 610 HG LEU A 37 5.661 -9.894 7.791 1.00 55.23 H +ATOM 611 HD11 LEU A 37 4.423 -10.067 5.692 1.00 61.25 H +ATOM 612 HD12 LEU A 37 4.797 -8.382 5.326 1.00 12.42 H +ATOM 613 HD13 LEU A 37 3.776 -8.780 6.709 1.00 21.50 H +ATOM 614 HD21 LEU A 37 7.303 -8.972 5.427 1.00 51.34 H +ATOM 615 HD22 LEU A 37 6.835 -10.638 5.769 1.00 55.42 H +ATOM 616 HD23 LEU A 37 7.920 -9.785 6.868 1.00 70.33 H +ATOM 617 N ASP A 38 3.435 -8.335 9.985 1.00 13.32 N +ATOM 618 CA ASP A 38 2.980 -9.171 11.099 1.00 23.51 C +ATOM 619 C ASP A 38 2.378 -10.491 10.583 1.00 21.22 C +ATOM 620 O ASP A 38 1.275 -10.513 10.034 1.00 23.42 O +ATOM 621 CB ASP A 38 1.955 -8.397 11.939 1.00 52.43 C +ATOM 622 CG ASP A 38 1.568 -9.128 13.215 1.00 15.12 C +ATOM 623 OD1 ASP A 38 2.402 -9.198 14.143 1.00 32.35 O +ATOM 624 OD2 ASP A 38 0.435 -9.643 13.299 1.00 14.34 O1- +ATOM 625 H ASP A 38 2.767 -7.884 9.426 1.00 37.76 H +ATOM 626 HA ASP A 38 3.838 -9.400 11.717 1.00 2.32 H +ATOM 627 HB2 ASP A 38 2.377 -7.439 12.210 1.00 71.43 H +ATOM 628 HB3 ASP A 38 1.065 -8.235 11.348 1.00 37.76 H +ATOM 629 N GLY A 39 3.113 -11.589 10.758 1.00 74.40 N +ATOM 630 CA GLY A 39 2.679 -12.882 10.228 1.00 51.44 C +ATOM 631 C GLY A 39 2.534 -12.867 8.707 1.00 12.23 C +ATOM 632 O GLY A 39 3.524 -12.742 7.985 1.00 3.25 O +ATOM 633 H GLY A 39 3.956 -11.521 11.250 1.00 37.76 H +ATOM 634 HA2 GLY A 39 3.406 -13.633 10.501 1.00 24.20 H +ATOM 635 HA3 GLY A 39 1.727 -13.139 10.670 1.00 37.76 H +ATOM 636 N ASN A 40 1.304 -12.996 8.217 1.00 34.24 N +ATOM 637 CA ASN A 40 1.026 -12.854 6.786 1.00 31.20 C +ATOM 638 C ASN A 40 0.119 -11.636 6.540 1.00 12.33 C +ATOM 639 O ASN A 40 -1.075 -11.777 6.276 1.00 31.32 O +ATOM 640 CB ASN A 40 0.386 -14.131 6.228 1.00 23.25 C +ATOM 641 CG ASN A 40 0.276 -14.130 4.710 1.00 3.42 C +ATOM 642 ND2 ASN A 40 0.373 -15.297 4.114 1.00 71.43 N +ATOM 643 OD1 ASN A 40 0.103 -13.095 4.077 1.00 31.12 O +ATOM 644 H ASN A 40 0.565 -13.197 8.829 1.00 37.76 H +ATOM 645 HA ASN A 40 1.970 -12.686 6.282 1.00 34.25 H +ATOM 646 HB2 ASN A 40 0.981 -14.983 6.528 1.00 10.53 H +ATOM 647 HB3 ASN A 40 -0.608 -14.233 6.639 1.00 37.76 H +ATOM 648 HD21 ASN A 40 0.507 -16.089 4.669 1.00 45.34 H +ATOM 649 HD22 ASN A 40 0.324 -15.317 3.136 1.00 15.13 H +ATOM 650 N ASP A 41 0.698 -10.449 6.693 1.00 3.11 N +ATOM 651 CA ASP A 41 0.004 -9.182 6.431 1.00 10.23 C +ATOM 652 C ASP A 41 0.982 -8.006 6.607 1.00 34.20 C +ATOM 653 O ASP A 41 1.601 -7.846 7.662 1.00 12.25 O +ATOM 654 CB ASP A 41 -1.210 -9.025 7.365 1.00 25.45 C +ATOM 655 CG ASP A 41 -2.089 -7.838 6.998 1.00 71.33 C +ATOM 656 OD1 ASP A 41 -2.872 -7.944 6.029 1.00 41.41 O +ATOM 657 OD2 ASP A 41 -2.014 -6.804 7.686 1.00 60.42 O1- +ATOM 658 H ASP A 41 1.624 -10.420 7.005 1.00 37.76 H +ATOM 659 HA ASP A 41 -0.337 -9.199 5.404 1.00 60.13 H +ATOM 660 HB2 ASP A 41 -1.813 -9.921 7.308 1.00 64.23 H +ATOM 661 HB3 ASP A 41 -0.861 -8.898 8.380 1.00 37.76 H +ATOM 662 N LEU A 42 1.141 -7.213 5.554 1.00 2.55 N +ATOM 663 CA LEU A 42 2.067 -6.077 5.561 1.00 30.33 C +ATOM 664 C LEU A 42 1.309 -4.749 5.687 1.00 72.01 C +ATOM 665 O LEU A 42 0.748 -4.248 4.711 1.00 33.12 O +ATOM 666 CB LEU A 42 2.913 -6.082 4.277 1.00 2.23 C +ATOM 667 CG LEU A 42 3.959 -4.958 4.160 1.00 4.45 C +ATOM 668 CD1 LEU A 42 4.981 -5.046 5.291 1.00 40.23 C +ATOM 669 CD2 LEU A 42 4.650 -5.003 2.796 1.00 25.32 C +ATOM 670 H LEU A 42 0.618 -7.391 4.748 1.00 37.76 H +ATOM 671 HA LEU A 42 2.725 -6.184 6.413 1.00 13.23 H +ATOM 672 HB2 LEU A 42 3.427 -7.032 4.218 1.00 61.41 H +ATOM 673 HB3 LEU A 42 2.241 -6.007 3.432 1.00 37.76 H +ATOM 674 HG LEU A 42 3.458 -4.003 4.246 1.00 71.13 H +ATOM 675 HD11 LEU A 42 4.479 -4.923 6.241 1.00 24.52 H +ATOM 676 HD12 LEU A 42 5.721 -4.268 5.175 1.00 42.54 H +ATOM 677 HD13 LEU A 42 5.466 -6.011 5.265 1.00 1.32 H +ATOM 678 HD21 LEU A 42 5.131 -5.962 2.662 1.00 74.33 H +ATOM 679 HD22 LEU A 42 5.392 -4.219 2.740 1.00 45.40 H +ATOM 680 HD23 LEU A 42 3.917 -4.858 2.016 1.00 41.44 H +ATOM 681 N GLU A 43 1.290 -4.190 6.892 1.00 11.04 N +ATOM 682 CA GLU A 43 0.599 -2.925 7.150 1.00 74.51 C +ATOM 683 C GLU A 43 1.499 -1.725 6.816 1.00 1.22 C +ATOM 684 O GLU A 43 2.427 -1.407 7.560 1.00 35.50 O +ATOM 685 CB GLU A 43 0.150 -2.866 8.619 1.00 40.13 C +ATOM 686 CG GLU A 43 -0.791 -4.002 9.017 1.00 30.22 C +ATOM 687 CD GLU A 43 -1.278 -3.897 10.453 1.00 35.13 C +ATOM 688 OE1 GLU A 43 -2.066 -2.972 10.754 1.00 73.31 O +ATOM 689 OE2 GLU A 43 -0.879 -4.732 11.291 1.00 32.34 O1- +ATOM 690 H GLU A 43 1.751 -4.640 7.633 1.00 37.76 H +ATOM 691 HA GLU A 43 -0.279 -2.890 6.516 1.00 43.01 H +ATOM 692 HB2 GLU A 43 1.027 -2.916 9.253 1.00 3.53 H +ATOM 693 HB3 GLU A 43 -0.356 -1.926 8.796 1.00 37.76 H +ATOM 694 HG2 GLU A 43 -1.650 -3.984 8.360 1.00 40.23 H +ATOM 695 HG3 GLU A 43 -0.271 -4.943 8.894 1.00 37.76 H +ATOM 696 N ILE A 44 1.228 -1.073 5.686 1.00 21.34 N +ATOM 697 CA ILE A 44 2.028 0.072 5.234 1.00 42.31 C +ATOM 698 C ILE A 44 1.351 1.410 5.573 1.00 43.23 C +ATOM 699 O ILE A 44 0.351 1.778 4.963 1.00 13.24 O +ATOM 700 CB ILE A 44 2.258 0.013 3.701 1.00 11.30 C +ATOM 701 CG1 ILE A 44 2.812 -1.361 3.287 1.00 74.21 C +ATOM 702 CG2 ILE A 44 3.199 1.134 3.255 1.00 22.32 C +ATOM 703 CD1 ILE A 44 2.938 -1.543 1.789 1.00 55.43 C +ATOM 704 H ILE A 44 0.478 -1.375 5.132 1.00 37.76 H +ATOM 705 HA ILE A 44 2.993 0.028 5.724 1.00 72.40 H +ATOM 706 HB ILE A 44 1.304 0.167 3.214 1.00 63.43 H +ATOM 707 HG12 ILE A 44 3.794 -1.494 3.720 1.00 3.42 H +ATOM 708 HG13 ILE A 44 2.154 -2.134 3.660 1.00 37.76 H +ATOM 709 HG21 ILE A 44 3.353 1.074 2.187 1.00 41.53 H +ATOM 710 HG22 ILE A 44 4.148 1.034 3.761 1.00 44.12 H +ATOM 711 HG23 ILE A 44 2.762 2.093 3.500 1.00 4.52 H +ATOM 712 HD11 ILE A 44 1.965 -1.450 1.330 1.00 54.45 H +ATOM 713 HD12 ILE A 44 3.343 -2.522 1.579 1.00 61.12 H +ATOM 714 HD13 ILE A 44 3.598 -0.788 1.387 1.00 21.43 H +ATOM 715 N ARG A 45 1.907 2.147 6.528 1.00 35.50 N +ATOM 716 CA ARG A 45 1.371 3.465 6.892 1.00 3.01 C +ATOM 717 C ARG A 45 2.163 4.600 6.227 1.00 0.23 C +ATOM 718 O ARG A 45 3.297 4.897 6.610 1.00 2.22 O +ATOM 719 CB ARG A 45 1.360 3.649 8.421 1.00 61.10 C +ATOM 720 CG ARG A 45 1.084 5.090 8.865 1.00 1.11 C +ATOM 721 CD ARG A 45 0.628 5.166 10.316 1.00 43.34 C +ATOM 722 NE ARG A 45 -0.715 4.615 10.479 1.00 44.41 N +ATOM 723 CZ ARG A 45 -1.390 4.609 11.593 1.00 74.34 C +ATOM 724 NH1 ARG A 45 -0.868 5.066 12.688 1.00 41.50 N1+ +ATOM 725 NH2 ARG A 45 -2.592 4.132 11.604 1.00 55.33 N +ATOM 726 H ARG A 45 2.695 1.804 6.995 1.00 37.76 H +ATOM 727 HA ARG A 45 0.350 3.510 6.537 1.00 52.04 H +ATOM 728 HB2 ARG A 45 0.595 3.011 8.842 1.00 34.53 H +ATOM 729 HB3 ARG A 45 2.320 3.351 8.816 1.00 37.76 H +ATOM 730 HG2 ARG A 45 1.991 5.667 8.757 1.00 61.22 H +ATOM 731 HG3 ARG A 45 0.314 5.510 8.232 1.00 37.76 H +ATOM 732 HD2 ARG A 45 1.320 4.607 10.931 1.00 63.21 H +ATOM 733 HD3 ARG A 45 0.623 6.202 10.629 1.00 37.76 H +ATOM 734 HE ARG A 45 -1.142 4.230 9.684 1.00 51.34 H +ATOM 735 HH11 ARG A 45 0.063 5.428 12.686 1.00 12.32 H +ATOM 736 HH12 ARG A 45 -1.394 5.059 13.535 1.00 51.33 H +ATOM 737 HH21 ARG A 45 -2.992 3.775 10.756 1.00 44.24 H +ATOM 738 HH22 ARG A 45 -3.114 4.106 12.453 1.00 45.15 H +ATOM 739 N ILE A 46 1.562 5.221 5.216 1.00 1.10 N +ATOM 740 CA ILE A 46 2.156 6.391 4.568 1.00 10.22 C +ATOM 741 C ILE A 46 1.657 7.683 5.238 1.00 22.11 C +ATOM 742 O ILE A 46 0.474 8.029 5.152 1.00 32.10 O +ATOM 743 CB ILE A 46 1.832 6.429 3.053 1.00 1.51 C +ATOM 744 CG1 ILE A 46 2.232 5.099 2.386 1.00 14.13 C +ATOM 745 CG2 ILE A 46 2.549 7.604 2.383 1.00 42.23 C +ATOM 746 CD1 ILE A 46 1.936 5.038 0.902 1.00 4.44 C +ATOM 747 H ILE A 46 0.698 4.879 4.894 1.00 37.76 H +ATOM 748 HA ILE A 46 3.232 6.329 4.686 1.00 62.51 H +ATOM 749 HB ILE A 46 0.767 6.576 2.937 1.00 45.23 H +ATOM 750 HG12 ILE A 46 3.293 4.944 2.516 1.00 21.30 H +ATOM 751 HG13 ILE A 46 1.698 4.290 2.864 1.00 37.76 H +ATOM 752 HG21 ILE A 46 3.618 7.510 2.528 1.00 25.01 H +ATOM 753 HG22 ILE A 46 2.207 8.531 2.822 1.00 42.21 H +ATOM 754 HG23 ILE A 46 2.328 7.609 1.325 1.00 74.23 H +ATOM 755 HD11 ILE A 46 0.878 5.192 0.738 1.00 54.20 H +ATOM 756 HD12 ILE A 46 2.221 4.070 0.518 1.00 71.43 H +ATOM 757 HD13 ILE A 46 2.494 5.807 0.388 1.00 50.40 H +ATOM 758 N THR A 47 2.562 8.379 5.918 1.00 21.12 N +ATOM 759 CA THR A 47 2.214 9.585 6.679 1.00 44.51 C +ATOM 760 C THR A 47 2.400 10.862 5.849 1.00 30.21 C +ATOM 761 O THR A 47 3.506 11.160 5.391 1.00 50.43 O +ATOM 762 CB THR A 47 3.076 9.695 7.963 1.00 65.45 C +ATOM 763 CG2 THR A 47 2.710 10.933 8.781 1.00 63.25 C +ATOM 764 OG1 THR A 47 2.902 8.523 8.772 1.00 32.33 O +ATOM 765 H THR A 47 3.491 8.068 5.919 1.00 37.76 H +ATOM 766 HA THR A 47 1.176 9.506 6.977 1.00 23.15 H +ATOM 767 HB THR A 47 4.117 9.767 7.675 1.00 45.24 H +ATOM 768 HG1 THR A 47 3.715 8.351 9.261 1.00 5.01 H +ATOM 769 HG21 THR A 47 2.872 11.821 8.187 1.00 64.11 H +ATOM 770 HG22 THR A 47 3.329 10.976 9.667 1.00 34.03 H +ATOM 771 HG23 THR A 47 1.671 10.880 9.073 1.00 33.51 H +ATOM 772 N GLY A 48 1.316 11.617 5.668 1.00 61.55 N +ATOM 773 CA GLY A 48 1.387 12.896 4.966 1.00 61.24 C +ATOM 774 C GLY A 48 1.098 12.798 3.470 1.00 33.25 C +ATOM 775 O GLY A 48 1.973 13.056 2.641 1.00 13.31 O +ATOM 776 H GLY A 48 0.454 11.303 6.017 1.00 37.76 H +ATOM 777 HA2 GLY A 48 0.669 13.570 5.408 1.00 13.42 H +ATOM 778 HA3 GLY A 48 2.376 13.314 5.103 1.00 37.76 H +ATOM 779 N VAL A 49 -0.132 12.430 3.118 1.00 63.12 N +ATOM 780 CA VAL A 49 -0.542 12.348 1.709 1.00 22.30 C +ATOM 781 C VAL A 49 -1.752 13.252 1.409 1.00 60.41 C +ATOM 782 O VAL A 49 -2.701 13.313 2.189 1.00 63.24 O +ATOM 783 CB VAL A 49 -0.877 10.890 1.292 1.00 71.32 C +ATOM 784 CG1 VAL A 49 0.386 10.036 1.254 1.00 62.32 C +ATOM 785 CG2 VAL A 49 -1.914 10.274 2.233 1.00 21.34 C +ATOM 786 H VAL A 49 -0.782 12.206 3.818 1.00 37.76 H +ATOM 787 HA VAL A 49 0.291 12.682 1.104 1.00 0.45 H +ATOM 788 HB VAL A 49 -1.297 10.911 0.295 1.00 13.32 H +ATOM 789 HG11 VAL A 49 0.834 10.008 2.237 1.00 3.30 H +ATOM 790 HG12 VAL A 49 1.089 10.460 0.552 1.00 43.15 H +ATOM 791 HG13 VAL A 49 0.134 9.032 0.946 1.00 15.11 H +ATOM 792 HG21 VAL A 49 -2.121 9.258 1.927 1.00 21.12 H +ATOM 793 HG22 VAL A 49 -2.826 10.854 2.195 1.00 22.34 H +ATOM 794 HG23 VAL A 49 -1.531 10.273 3.245 1.00 63.03 H +ATOM 795 N PRO A 50 -1.726 13.984 0.274 1.00 51.34 N +ATOM 796 CA PRO A 50 -2.862 14.811 -0.162 1.00 52.43 C +ATOM 797 C PRO A 50 -3.979 13.977 -0.822 1.00 60.13 C +ATOM 798 O PRO A 50 -3.719 12.939 -1.435 1.00 50.32 O +ATOM 799 CB PRO A 50 -2.219 15.769 -1.171 1.00 23.10 C +ATOM 800 CG PRO A 50 -1.079 14.997 -1.750 1.00 42.43 C +ATOM 801 CD PRO A 50 -0.582 14.081 -0.656 1.00 24.23 C +ATOM 802 HA PRO A 50 -3.279 15.374 0.663 1.00 13.43 H +ATOM 803 HB2 PRO A 50 -2.941 16.047 -1.927 1.00 62.10 H +ATOM 804 HB3 PRO A 50 -1.873 16.655 -0.659 1.00 37.76 H +ATOM 805 HG2 PRO A 50 -1.423 14.418 -2.597 1.00 13.43 H +ATOM 806 HG3 PRO A 50 -0.296 15.675 -2.058 1.00 37.76 H +ATOM 807 HD2 PRO A 50 -0.332 13.110 -1.061 1.00 43.54 H +ATOM 808 HD3 PRO A 50 0.277 14.514 -0.162 1.00 37.76 H +ATOM 809 N GLU A 51 -5.223 14.446 -0.709 1.00 11.42 N +ATOM 810 CA GLU A 51 -6.391 13.693 -1.195 1.00 55.24 C +ATOM 811 C GLU A 51 -6.333 13.410 -2.708 1.00 11.41 C +ATOM 812 O GLU A 51 -6.845 12.391 -3.173 1.00 13.20 O +ATOM 813 CB GLU A 51 -7.690 14.429 -0.837 1.00 4.11 C +ATOM 814 CG GLU A 51 -7.789 15.842 -1.400 1.00 72.34 C +ATOM 815 CD GLU A 51 -9.062 16.554 -0.968 1.00 5.52 C +ATOM 816 OE1 GLU A 51 -10.098 16.413 -1.657 1.00 52.20 O +ATOM 817 OE2 GLU A 51 -9.033 17.263 0.061 1.00 1.11 O1- +ATOM 818 H GLU A 51 -5.364 15.321 -0.287 1.00 37.76 H +ATOM 819 HA GLU A 51 -6.390 12.742 -0.677 1.00 51.44 H +ATOM 820 HB2 GLU A 51 -8.528 13.858 -1.211 1.00 54.10 H +ATOM 821 HB3 GLU A 51 -7.767 14.490 0.241 1.00 37.76 H +ATOM 822 HG2 GLU A 51 -6.937 16.413 -1.056 1.00 14.23 H +ATOM 823 HG3 GLU A 51 -7.770 15.789 -2.480 1.00 37.76 H +ATOM 824 N GLN A 52 -5.705 14.304 -3.474 1.00 0.23 N +ATOM 825 CA GLN A 52 -5.552 14.094 -4.923 1.00 30.04 C +ATOM 826 C GLN A 52 -4.690 12.851 -5.221 1.00 74.12 C +ATOM 827 O GLN A 52 -5.050 12.014 -6.052 1.00 24.03 O +ATOM 828 CB GLN A 52 -4.946 15.340 -5.595 1.00 63.34 C +ATOM 829 CG GLN A 52 -3.563 15.728 -5.074 1.00 4.31 C +ATOM 830 CD GLN A 52 -2.951 16.908 -5.817 1.00 42.11 C +ATOM 831 NE2 GLN A 52 -2.140 17.689 -5.130 1.00 61.34 N +ATOM 832 OE1 GLN A 52 -3.208 17.121 -6.997 1.00 2.11 O +ATOM 833 H GLN A 52 -5.351 15.123 -3.065 1.00 37.76 H +ATOM 834 HA GLN A 52 -6.541 13.927 -5.328 1.00 52.14 H +ATOM 835 HB2 GLN A 52 -4.869 15.157 -6.659 1.00 42.41 H +ATOM 836 HB3 GLN A 52 -5.614 16.177 -5.435 1.00 37.76 H +ATOM 837 HG2 GLN A 52 -3.647 15.984 -4.028 1.00 64.20 H +ATOM 838 HG3 GLN A 52 -2.904 14.876 -5.179 1.00 37.76 H +ATOM 839 HE21 GLN A 52 -1.971 17.472 -4.193 1.00 5.33 H +ATOM 840 HE22 GLN A 52 -1.740 18.452 -5.594 1.00 1.34 H +ATOM 841 N VAL A 53 -3.568 12.722 -4.514 1.00 43.11 N +ATOM 842 CA VAL A 53 -2.655 11.588 -4.704 1.00 53.31 C +ATOM 843 C VAL A 53 -3.201 10.318 -4.029 1.00 30.24 C +ATOM 844 O VAL A 53 -2.917 9.200 -4.462 1.00 74.12 O +ATOM 845 CB VAL A 53 -1.242 11.911 -4.151 1.00 74.33 C +ATOM 846 CG1 VAL A 53 -0.286 10.737 -4.348 1.00 21.34 C +ATOM 847 CG2 VAL A 53 -0.684 13.174 -4.805 1.00 61.54 C +ATOM 848 H VAL A 53 -3.349 13.400 -3.846 1.00 37.76 H +ATOM 849 HA VAL A 53 -2.569 11.406 -5.767 1.00 24.21 H +ATOM 850 HB VAL A 53 -1.329 12.096 -3.088 1.00 15.01 H +ATOM 851 HG11 VAL A 53 -0.201 10.513 -5.403 1.00 4.52 H +ATOM 852 HG12 VAL A 53 -0.668 9.870 -3.827 1.00 34.34 H +ATOM 853 HG13 VAL A 53 0.687 10.994 -3.954 1.00 55.23 H +ATOM 854 HG21 VAL A 53 -0.650 13.043 -5.878 1.00 63.34 H +ATOM 855 HG22 VAL A 53 0.314 13.364 -4.434 1.00 14.12 H +ATOM 856 HG23 VAL A 53 -1.320 14.016 -4.567 1.00 65.11 H +ATOM 857 N ARG A 54 -3.998 10.504 -2.971 1.00 44.54 N +ATOM 858 CA ARG A 54 -4.667 9.389 -2.284 1.00 21.32 C +ATOM 859 C ARG A 54 -5.378 8.464 -3.287 1.00 0.43 C +ATOM 860 O ARG A 54 -5.343 7.239 -3.160 1.00 21.24 O +ATOM 861 CB ARG A 54 -5.684 9.936 -1.270 1.00 51.51 C +ATOM 862 CG ARG A 54 -6.435 8.859 -0.484 1.00 54.43 C +ATOM 863 CD ARG A 54 -7.505 9.461 0.426 1.00 52.43 C +ATOM 864 NE ARG A 54 -8.559 10.144 -0.331 1.00 2.14 N +ATOM 865 CZ ARG A 54 -9.170 11.231 0.063 1.00 73.14 C +ATOM 866 NH1 ARG A 54 -8.859 11.804 1.182 1.00 12.23 N1+ +ATOM 867 NH2 ARG A 54 -10.096 11.755 -0.673 1.00 2.42 N +ATOM 868 H ARG A 54 -4.131 11.416 -2.636 1.00 37.76 H +ATOM 869 HA ARG A 54 -3.912 8.822 -1.758 1.00 43.23 H +ATOM 870 HB2 ARG A 54 -5.161 10.567 -0.564 1.00 35.51 H +ATOM 871 HB3 ARG A 54 -6.410 10.539 -1.800 1.00 37.76 H +ATOM 872 HG2 ARG A 54 -6.910 8.183 -1.182 1.00 12.50 H +ATOM 873 HG3 ARG A 54 -5.727 8.311 0.122 1.00 37.76 H +ATOM 874 HD2 ARG A 54 -7.951 8.666 1.005 1.00 12.12 H +ATOM 875 HD3 ARG A 54 -7.035 10.170 1.095 1.00 37.76 H +ATOM 876 HE ARG A 54 -8.831 9.745 -1.182 1.00 74.54 H +ATOM 877 HH11 ARG A 54 -8.148 11.419 1.761 1.00 71.22 H +ATOM 878 HH12 ARG A 54 -9.344 12.633 1.464 1.00 12.51 H +ATOM 879 HH21 ARG A 54 -10.346 11.327 -1.539 1.00 55.21 H +ATOM 880 HH22 ARG A 54 -10.561 12.586 -0.370 1.00 21.34 H +ATOM 881 N LYS A 55 -6.020 9.072 -4.282 1.00 20.12 N +ATOM 882 CA LYS A 55 -6.706 8.333 -5.347 1.00 21.12 C +ATOM 883 C LYS A 55 -5.724 7.450 -6.137 1.00 31.10 C +ATOM 884 O LYS A 55 -5.939 6.248 -6.303 1.00 60.33 O +ATOM 885 CB LYS A 55 -7.386 9.328 -6.299 1.00 22.53 C +ATOM 886 CG LYS A 55 -8.266 10.357 -5.590 1.00 2.44 C +ATOM 887 CD LYS A 55 -8.770 11.426 -6.554 1.00 24.21 C +ATOM 888 CE LYS A 55 -9.472 12.564 -5.821 1.00 63.31 C +ATOM 889 NZ LYS A 55 -10.676 12.099 -5.085 1.00 1.53 N1+ +ATOM 890 H LYS A 55 -6.038 10.051 -4.299 1.00 37.76 H +ATOM 891 HA LYS A 55 -7.459 7.706 -4.892 1.00 3.11 H +ATOM 892 HB2 LYS A 55 -6.622 9.861 -6.848 1.00 75.32 H +ATOM 893 HB3 LYS A 55 -8.002 8.780 -6.997 1.00 37.76 H +ATOM 894 HG2 LYS A 55 -9.116 9.850 -5.154 1.00 1.30 H +ATOM 895 HG3 LYS A 55 -7.691 10.831 -4.807 1.00 37.76 H +ATOM 896 HD2 LYS A 55 -7.931 11.829 -7.103 1.00 50.34 H +ATOM 897 HD3 LYS A 55 -9.468 10.971 -7.246 1.00 37.76 H +ATOM 898 HE2 LYS A 55 -8.781 13.006 -5.115 1.00 61.25 H +ATOM 899 HE3 LYS A 55 -9.769 13.312 -6.544 1.00 37.76 H +ATOM 900 HZ1 LYS A 55 -11.349 11.659 -5.743 1.00 73.41 H +ATOM 901 HZ2 LYS A 55 -11.142 12.905 -4.619 1.00 64.30 H +ATOM 902 HZ3 LYS A 55 -10.408 11.404 -4.361 1.00 15.32 H +ATOM 903 N GLU A 56 -4.637 8.064 -6.603 1.00 25.41 N +ATOM 904 CA GLU A 56 -3.637 7.383 -7.434 1.00 74.21 C +ATOM 905 C GLU A 56 -2.964 6.215 -6.690 1.00 13.54 C +ATOM 906 O GLU A 56 -2.797 5.124 -7.247 1.00 23.21 O +ATOM 907 CB GLU A 56 -2.583 8.400 -7.902 1.00 0.44 C +ATOM 908 CG GLU A 56 -3.162 9.529 -8.758 1.00 2.10 C +ATOM 909 CD GLU A 56 -2.138 10.605 -9.097 1.00 24.23 C +ATOM 910 OE1 GLU A 56 -1.246 10.346 -9.939 1.00 54.22 O +ATOM 911 OE2 GLU A 56 -2.217 11.714 -8.528 1.00 53.11 O1- +ATOM 912 H GLU A 56 -4.499 9.007 -6.378 1.00 37.76 H +ATOM 913 HA GLU A 56 -4.148 6.989 -8.301 1.00 35.42 H +ATOM 914 HB2 GLU A 56 -2.113 8.839 -7.032 1.00 71.13 H +ATOM 915 HB3 GLU A 56 -1.832 7.885 -8.484 1.00 37.76 H +ATOM 916 HG2 GLU A 56 -3.539 9.108 -9.680 1.00 33.30 H +ATOM 917 HG3 GLU A 56 -3.979 9.987 -8.217 1.00 37.76 H +ATOM 918 N LEU A 57 -2.584 6.442 -5.435 1.00 5.13 N +ATOM 919 CA LEU A 57 -1.947 5.398 -4.619 1.00 43.45 C +ATOM 920 C LEU A 57 -2.927 4.259 -4.301 1.00 54.42 C +ATOM 921 O LEU A 57 -2.588 3.081 -4.430 1.00 54.32 O +ATOM 922 CB LEU A 57 -1.395 5.994 -3.312 1.00 45.43 C +ATOM 923 CG LEU A 57 -0.300 7.060 -3.482 1.00 31.44 C +ATOM 924 CD1 LEU A 57 0.150 7.589 -2.123 1.00 23.12 C +ATOM 925 CD2 LEU A 57 0.887 6.492 -4.258 1.00 64.52 C +ATOM 926 H LEU A 57 -2.729 7.331 -5.048 1.00 37.76 H +ATOM 927 HA LEU A 57 -1.124 4.993 -5.192 1.00 3.10 H +ATOM 928 HB2 LEU A 57 -2.218 6.435 -2.767 1.00 63.13 H +ATOM 929 HB3 LEU A 57 -0.987 5.186 -2.720 1.00 37.76 H +ATOM 930 HG LEU A 57 -0.701 7.892 -4.043 1.00 35.24 H +ATOM 931 HD11 LEU A 57 -0.698 8.013 -1.602 1.00 4.42 H +ATOM 932 HD12 LEU A 57 0.902 8.352 -2.264 1.00 73.31 H +ATOM 933 HD13 LEU A 57 0.565 6.780 -1.538 1.00 20.44 H +ATOM 934 HD21 LEU A 57 0.559 6.173 -5.238 1.00 31.33 H +ATOM 935 HD22 LEU A 57 1.296 5.647 -3.723 1.00 2.41 H +ATOM 936 HD23 LEU A 57 1.648 7.252 -4.367 1.00 33.44 H +ATOM 937 N ALA A 58 -4.146 4.616 -3.897 1.00 23.22 N +ATOM 938 CA ALA A 58 -5.171 3.625 -3.552 1.00 5.13 C +ATOM 939 C ALA A 58 -5.538 2.754 -4.757 1.00 11.41 C +ATOM 940 O ALA A 58 -5.727 1.544 -4.632 1.00 10.34 O +ATOM 941 CB ALA A 58 -6.420 4.313 -3.006 1.00 51.11 C +ATOM 942 H ALA A 58 -4.364 5.570 -3.832 1.00 37.76 H +ATOM 943 HA ALA A 58 -4.771 2.992 -2.770 1.00 32.11 H +ATOM 944 HB1 ALA A 58 -6.153 4.927 -2.157 1.00 65.52 H +ATOM 945 HB2 ALA A 58 -7.138 3.566 -2.698 1.00 22.30 H +ATOM 946 HB3 ALA A 58 -6.856 4.935 -3.776 1.00 5.45 H +ATOM 947 N LYS A 59 -5.625 3.379 -5.927 1.00 11.20 N +ATOM 948 CA LYS A 59 -6.000 2.672 -7.149 1.00 24.23 C +ATOM 949 C LYS A 59 -4.878 1.751 -7.650 1.00 20.10 C +ATOM 950 O LYS A 59 -5.146 0.671 -8.184 1.00 41.20 O +ATOM 951 CB LYS A 59 -6.412 3.670 -8.236 1.00 60.03 C +ATOM 952 CG LYS A 59 -6.979 3.008 -9.490 1.00 14.44 C +ATOM 953 CD LYS A 59 -7.958 3.924 -10.220 1.00 21.44 C +ATOM 954 CE LYS A 59 -9.134 4.314 -9.327 1.00 74.51 C +ATOM 955 NZ LYS A 59 -9.808 3.122 -8.740 1.00 63.02 N1+ +ATOM 956 H LYS A 59 -5.441 4.343 -5.968 1.00 37.76 H +ATOM 957 HA LYS A 59 -6.857 2.056 -6.912 1.00 63.24 H +ATOM 958 HB2 LYS A 59 -7.161 4.333 -7.829 1.00 31.43 H +ATOM 959 HB3 LYS A 59 -5.548 4.255 -8.523 1.00 37.76 H +ATOM 960 HG2 LYS A 59 -6.165 2.764 -10.157 1.00 23.40 H +ATOM 961 HG3 LYS A 59 -7.495 2.100 -9.205 1.00 37.76 H +ATOM 962 HD2 LYS A 59 -7.438 4.821 -10.526 1.00 34.14 H +ATOM 963 HD3 LYS A 59 -8.333 3.408 -11.092 1.00 37.76 H +ATOM 964 HE2 LYS A 59 -8.774 4.942 -8.524 1.00 65.31 H +ATOM 965 HE3 LYS A 59 -9.852 4.865 -9.919 1.00 37.76 H +ATOM 966 HZ1 LYS A 59 -10.136 2.487 -9.495 1.00 13.14 H +ATOM 967 HZ2 LYS A 59 -10.625 3.414 -8.169 1.00 34.24 H +ATOM 968 HZ3 LYS A 59 -9.147 2.597 -8.129 1.00 20.22 H +ATOM 969 N GLU A 60 -3.621 2.160 -7.474 1.00 12.31 N +ATOM 970 CA GLU A 60 -2.502 1.289 -7.845 1.00 61.12 C +ATOM 971 C GLU A 60 -2.388 0.113 -6.868 1.00 50.54 C +ATOM 972 O GLU A 60 -1.986 -0.983 -7.251 1.00 45.31 O +ATOM 973 CB GLU A 60 -1.172 2.051 -7.939 1.00 72.13 C +ATOM 974 CG GLU A 60 -0.027 1.178 -8.464 1.00 23.10 C +ATOM 975 CD GLU A 60 1.131 1.975 -9.042 1.00 61.24 C +ATOM 976 OE1 GLU A 60 0.873 2.925 -9.807 1.00 33.45 O +ATOM 977 OE2 GLU A 60 2.303 1.629 -8.774 1.00 53.35 O1- +ATOM 978 H GLU A 60 -3.446 3.049 -7.094 1.00 37.76 H +ATOM 979 HA GLU A 60 -2.730 0.884 -8.824 1.00 61.12 H +ATOM 980 HB2 GLU A 60 -1.297 2.894 -8.605 1.00 64.21 H +ATOM 981 HB3 GLU A 60 -0.902 2.414 -6.956 1.00 37.76 H +ATOM 982 HG2 GLU A 60 0.344 0.572 -7.649 1.00 11.34 H +ATOM 983 HG3 GLU A 60 -0.416 0.527 -9.236 1.00 37.76 H +ATOM 984 N ALA A 61 -2.753 0.343 -5.605 1.00 53.23 N +ATOM 985 CA ALA A 61 -2.858 -0.745 -4.624 1.00 53.21 C +ATOM 986 C ALA A 61 -3.820 -1.835 -5.129 1.00 24.51 C +ATOM 987 O ALA A 61 -3.529 -3.032 -5.036 1.00 71.33 O +ATOM 988 CB ALA A 61 -3.323 -0.201 -3.275 1.00 30.24 C +ATOM 989 H ALA A 61 -2.944 1.263 -5.323 1.00 37.76 H +ATOM 990 HA ALA A 61 -1.873 -1.176 -4.495 1.00 31.30 H +ATOM 991 HB1 ALA A 61 -2.639 0.565 -2.938 1.00 23.33 H +ATOM 992 HB2 ALA A 61 -3.348 -1.003 -2.551 1.00 42.32 H +ATOM 993 HB3 ALA A 61 -4.312 0.222 -3.377 1.00 11.21 H +ATOM 994 N GLU A 62 -4.962 -1.405 -5.675 1.00 3.11 N +ATOM 995 CA GLU A 62 -5.903 -2.320 -6.338 1.00 34.13 C +ATOM 996 C GLU A 62 -5.207 -3.062 -7.494 1.00 13.03 C +ATOM 997 O GLU A 62 -5.278 -4.289 -7.604 1.00 61.12 O +ATOM 998 CB GLU A 62 -7.110 -1.545 -6.899 1.00 62.44 C +ATOM 999 CG GLU A 62 -7.876 -0.718 -5.870 1.00 62.42 C +ATOM 1000 CD GLU A 62 -9.089 -0.018 -6.475 1.00 10.34 C +ATOM 1001 OE1 GLU A 62 -10.174 -0.635 -6.515 1.00 44.52 O +ATOM 1002 OE2 GLU A 62 -8.958 1.140 -6.938 1.00 11.25 O1- +ATOM 1003 H GLU A 62 -5.182 -0.448 -5.622 1.00 37.76 H +ATOM 1004 HA GLU A 62 -6.246 -3.038 -5.607 1.00 52.52 H +ATOM 1005 HB2 GLU A 62 -6.760 -0.874 -7.671 1.00 2.32 H +ATOM 1006 HB3 GLU A 62 -7.798 -2.253 -7.342 1.00 37.76 H +ATOM 1007 HG2 GLU A 62 -8.210 -1.372 -5.076 1.00 54.24 H +ATOM 1008 HG3 GLU A 62 -7.211 0.030 -5.460 1.00 37.76 H +ATOM 1009 N ARG A 63 -4.536 -2.288 -8.347 1.00 24.12 N +ATOM 1010 CA ARG A 63 -3.795 -2.814 -9.505 1.00 13.54 C +ATOM 1011 C ARG A 63 -2.797 -3.914 -9.085 1.00 53.25 C +ATOM 1012 O ARG A 63 -2.758 -4.995 -9.676 1.00 22.33 O +ATOM 1013 CB ARG A 63 -3.056 -1.648 -10.186 1.00 53.43 C +ATOM 1014 CG ARG A 63 -2.425 -1.973 -11.537 1.00 43.11 C +ATOM 1015 CD ARG A 63 -3.471 -2.341 -12.587 1.00 5.31 C +ATOM 1016 NE ARG A 63 -2.938 -2.227 -13.946 1.00 41.51 N +ATOM 1017 CZ ARG A 63 -3.168 -3.078 -14.906 1.00 10.43 C +ATOM 1018 NH1 ARG A 63 -3.819 -4.172 -14.674 1.00 70.24 N1+ +ATOM 1019 NH2 ARG A 63 -2.706 -2.846 -16.094 1.00 43.13 N +ATOM 1020 H ARG A 63 -4.541 -1.319 -8.194 1.00 37.76 H +ATOM 1021 HA ARG A 63 -4.511 -3.231 -10.199 1.00 11.00 H +ATOM 1022 HB2 ARG A 63 -3.757 -0.837 -10.333 1.00 12.22 H +ATOM 1023 HB3 ARG A 63 -2.273 -1.306 -9.522 1.00 37.76 H +ATOM 1024 HG2 ARG A 63 -1.876 -1.108 -11.882 1.00 31.13 H +ATOM 1025 HG3 ARG A 63 -1.744 -2.803 -11.414 1.00 37.76 H +ATOM 1026 HD2 ARG A 63 -3.796 -3.358 -12.415 1.00 50.14 H +ATOM 1027 HD3 ARG A 63 -4.314 -1.673 -12.487 1.00 37.76 H +ATOM 1028 HE ARG A 63 -2.390 -1.441 -14.152 1.00 44.23 H +ATOM 1029 HH11 ARG A 63 -4.145 -4.371 -13.755 1.00 44.51 H +ATOM 1030 HH12 ARG A 63 -3.987 -4.818 -15.415 1.00 32.23 H +ATOM 1031 HH21 ARG A 63 -2.171 -2.020 -16.265 1.00 71.40 H +ATOM 1032 HH22 ARG A 63 -2.887 -3.489 -16.835 1.00 43.43 H +ATOM 1033 N LEU A 64 -2.004 -3.631 -8.050 1.00 63.12 N +ATOM 1034 CA LEU A 64 -1.054 -4.602 -7.495 1.00 61.25 C +ATOM 1035 C LEU A 64 -1.774 -5.882 -7.043 1.00 50.20 C +ATOM 1036 O LEU A 64 -1.395 -6.993 -7.417 1.00 23.31 O +ATOM 1037 CB LEU A 64 -0.305 -3.976 -6.309 1.00 52.01 C +ATOM 1038 CG LEU A 64 0.584 -2.769 -6.656 1.00 22.44 C +ATOM 1039 CD1 LEU A 64 1.078 -2.073 -5.390 1.00 2.44 C +ATOM 1040 CD2 LEU A 64 1.763 -3.204 -7.524 1.00 54.21 C +ATOM 1041 H LEU A 64 -2.063 -2.743 -7.644 1.00 37.76 H +ATOM 1042 HA LEU A 64 -0.343 -4.853 -8.271 1.00 72.44 H +ATOM 1043 HB2 LEU A 64 -1.038 -3.658 -5.578 1.00 71.15 H +ATOM 1044 HB3 LEU A 64 0.318 -4.737 -5.858 1.00 37.76 H +ATOM 1045 HG LEU A 64 0.001 -2.054 -7.222 1.00 71.04 H +ATOM 1046 HD11 LEU A 64 1.689 -2.754 -4.816 1.00 42.53 H +ATOM 1047 HD12 LEU A 64 0.230 -1.764 -4.795 1.00 41.04 H +ATOM 1048 HD13 LEU A 64 1.661 -1.204 -5.659 1.00 54.42 H +ATOM 1049 HD21 LEU A 64 2.354 -3.934 -6.989 1.00 24.43 H +ATOM 1050 HD22 LEU A 64 2.375 -2.344 -7.754 1.00 74.25 H +ATOM 1051 HD23 LEU A 64 1.396 -3.639 -8.442 1.00 51.41 H +ATOM 1052 N ALA A 65 -2.830 -5.711 -6.250 1.00 4.42 N +ATOM 1053 CA ALA A 65 -3.629 -6.840 -5.758 1.00 63.44 C +ATOM 1054 C ALA A 65 -4.243 -7.651 -6.909 1.00 65.23 C +ATOM 1055 O ALA A 65 -4.527 -8.838 -6.759 1.00 25.35 O +ATOM 1056 CB ALA A 65 -4.723 -6.344 -4.822 1.00 71.34 C +ATOM 1057 H ALA A 65 -3.083 -4.799 -5.985 1.00 37.76 H +ATOM 1058 HA ALA A 65 -2.971 -7.486 -5.191 1.00 62.31 H +ATOM 1059 HB1 ALA A 65 -5.398 -5.699 -5.366 1.00 33.21 H +ATOM 1060 HB2 ALA A 65 -4.278 -5.792 -4.007 1.00 10.05 H +ATOM 1061 HB3 ALA A 65 -5.271 -7.187 -4.427 1.00 41.23 H +ATOM 1062 N LYS A 66 -4.459 -7.006 -8.052 1.00 72.10 N +ATOM 1063 CA LYS A 66 -4.981 -7.689 -9.240 1.00 54.42 C +ATOM 1064 C LYS A 66 -3.904 -8.567 -9.904 1.00 25.51 C +ATOM 1065 O LYS A 66 -4.069 -9.782 -10.011 1.00 35.41 O +ATOM 1066 CB LYS A 66 -5.539 -6.668 -10.245 1.00 70.35 C +ATOM 1067 CG LYS A 66 -6.826 -5.985 -9.784 1.00 5.22 C +ATOM 1068 CD LYS A 66 -7.983 -6.979 -9.666 1.00 23.13 C +ATOM 1069 CE LYS A 66 -9.284 -6.296 -9.252 1.00 14.33 C +ATOM 1070 NZ LYS A 66 -9.233 -5.788 -7.855 1.00 70.05 N1+ +ATOM 1071 H LYS A 66 -4.268 -6.044 -8.097 1.00 37.76 H +ATOM 1072 HA LYS A 66 -5.790 -8.330 -8.916 1.00 53.14 H +ATOM 1073 HB2 LYS A 66 -4.792 -5.903 -10.415 1.00 41.54 H +ATOM 1074 HB3 LYS A 66 -5.740 -7.171 -11.183 1.00 37.76 H +ATOM 1075 HG2 LYS A 66 -6.656 -5.531 -8.818 1.00 44.41 H +ATOM 1076 HG3 LYS A 66 -7.092 -5.219 -10.501 1.00 37.76 H +ATOM 1077 HD2 LYS A 66 -8.132 -7.460 -10.624 1.00 5.20 H +ATOM 1078 HD3 LYS A 66 -7.730 -7.727 -8.925 1.00 37.76 H +ATOM 1079 HE2 LYS A 66 -9.470 -5.464 -9.918 1.00 14.23 H +ATOM 1080 HE3 LYS A 66 -10.093 -7.007 -9.337 1.00 37.76 H +ATOM 1081 HZ1 LYS A 66 -8.416 -5.160 -7.730 1.00 22.42 H +ATOM 1082 HZ2 LYS A 66 -9.148 -6.583 -7.186 1.00 54.23 H +ATOM 1083 HZ3 LYS A 66 -10.099 -5.256 -7.631 1.00 43.34 H +ATOM 1084 N GLU A 67 -2.796 -7.958 -10.332 1.00 31.21 N +ATOM 1085 CA GLU A 67 -1.700 -8.703 -10.979 1.00 31.24 C +ATOM 1086 C GLU A 67 -1.142 -9.823 -10.078 1.00 44.14 C +ATOM 1087 O GLU A 67 -0.749 -10.888 -10.567 1.00 74.13 O +ATOM 1088 CB GLU A 67 -0.564 -7.754 -11.404 1.00 73.43 C +ATOM 1089 CG GLU A 67 -0.750 -7.128 -12.789 1.00 63.41 C +ATOM 1090 CD GLU A 67 -1.987 -6.255 -12.899 1.00 44.32 C +ATOM 1091 OE1 GLU A 67 -1.903 -5.064 -12.552 1.00 23.41 O +ATOM 1092 OE2 GLU A 67 -3.042 -6.756 -13.348 1.00 64.24 O1- +ATOM 1093 H GLU A 67 -2.711 -6.984 -10.221 1.00 37.76 H +ATOM 1094 HA GLU A 67 -2.110 -9.164 -11.867 1.00 72.33 H +ATOM 1095 HB2 GLU A 67 -0.488 -6.953 -10.680 1.00 71.01 H +ATOM 1096 HB3 GLU A 67 0.370 -8.302 -11.408 1.00 37.76 H +ATOM 1097 HG2 GLU A 67 0.117 -6.523 -13.012 1.00 44.22 H +ATOM 1098 HG3 GLU A 67 -0.821 -7.924 -13.519 1.00 37.76 H +ATOM 1099 N PHE A 68 -1.098 -9.585 -8.770 1.00 42.42 N +ATOM 1100 CA PHE A 68 -0.623 -10.602 -7.823 1.00 41.04 C +ATOM 1101 C PHE A 68 -1.782 -11.451 -7.266 1.00 44.13 C +ATOM 1102 O PHE A 68 -1.555 -12.423 -6.545 1.00 64.35 O +ATOM 1103 CB PHE A 68 0.149 -9.943 -6.672 1.00 30.25 C +ATOM 1104 CG PHE A 68 1.379 -9.196 -7.122 1.00 62.51 C +ATOM 1105 CD1 PHE A 68 2.465 -9.879 -7.653 1.00 31.02 C +ATOM 1106 CD2 PHE A 68 1.451 -7.815 -7.016 1.00 22.21 C +ATOM 1107 CE1 PHE A 68 3.593 -9.198 -8.068 1.00 24.41 C +ATOM 1108 CE2 PHE A 68 2.577 -7.130 -7.429 1.00 55.45 C +ATOM 1109 CZ PHE A 68 3.648 -7.823 -7.957 1.00 65.51 C +ATOM 1110 H PHE A 68 -1.381 -8.705 -8.434 1.00 37.76 H +ATOM 1111 HA PHE A 68 0.051 -11.258 -8.358 1.00 22.14 H +ATOM 1112 HB2 PHE A 68 -0.502 -9.243 -6.167 1.00 75.42 H +ATOM 1113 HB3 PHE A 68 0.460 -10.704 -5.970 1.00 37.76 H +ATOM 1114 HD1 PHE A 68 2.422 -10.955 -7.743 1.00 63.33 H +ATOM 1115 HD2 PHE A 68 0.614 -7.271 -6.603 1.00 24.24 H +ATOM 1116 HE1 PHE A 68 4.430 -9.740 -8.479 1.00 54.01 H +ATOM 1117 HE2 PHE A 68 2.618 -6.055 -7.340 1.00 20.20 H +ATOM 1118 HZ PHE A 68 4.531 -7.290 -8.281 1.00 32.53 H +ATOM 1119 N ASN A 69 -3.022 -11.064 -7.595 1.00 54.54 N +ATOM 1120 CA ASN A 69 -4.232 -11.780 -7.144 1.00 50.20 C +ATOM 1121 C ASN A 69 -4.312 -11.859 -5.602 1.00 62.32 C +ATOM 1122 O ASN A 69 -5.103 -12.618 -5.038 1.00 60.52 O +ATOM 1123 CB ASN A 69 -4.281 -13.179 -7.783 1.00 41.20 C +ATOM 1124 CG ASN A 69 -5.616 -13.879 -7.582 1.00 41.25 C +ATOM 1125 ND2 ASN A 69 -5.697 -14.738 -6.589 1.00 11.13 N +ATOM 1126 OD1 ASN A 69 -6.564 -13.660 -8.328 1.00 50.02 O +ATOM 1127 H ASN A 69 -3.132 -10.277 -8.171 1.00 37.76 H +ATOM 1128 HA ASN A 69 -5.084 -11.212 -7.494 1.00 10.24 H +ATOM 1129 HB2 ASN A 69 -4.104 -13.087 -8.844 1.00 62.12 H +ATOM 1130 HB3 ASN A 69 -3.504 -13.792 -7.348 1.00 37.76 H +ATOM 1131 HD21 ASN A 69 -4.905 -14.883 -6.033 1.00 15.52 H +ATOM 1132 HD22 ASN A 69 -6.550 -15.197 -6.446 1.00 73.54 H +ATOM 1133 N ILE A 70 -3.518 -11.033 -4.926 1.00 42.20 N +ATOM 1134 CA ILE A 70 -3.460 -11.027 -3.460 1.00 21.50 C +ATOM 1135 C ILE A 70 -4.529 -10.106 -2.849 1.00 12.31 C +ATOM 1136 O ILE A 70 -5.246 -9.404 -3.563 1.00 34.10 O +ATOM 1137 CB ILE A 70 -2.060 -10.592 -2.951 1.00 4.31 C +ATOM 1138 CG1 ILE A 70 -1.724 -9.164 -3.422 1.00 23.41 C +ATOM 1139 CG2 ILE A 70 -0.993 -11.587 -3.409 1.00 4.35 C +ATOM 1140 CD1 ILE A 70 -0.375 -8.662 -2.948 1.00 20.54 C +ATOM 1141 H ILE A 70 -2.964 -10.401 -5.426 1.00 37.76 H +ATOM 1142 HA ILE A 70 -3.641 -12.038 -3.115 1.00 72.23 H +ATOM 1143 HB ILE A 70 -2.080 -10.607 -1.869 1.00 74.04 H +ATOM 1144 HG12 ILE A 70 -1.727 -9.137 -4.502 1.00 21.44 H +ATOM 1145 HG13 ILE A 70 -2.478 -8.484 -3.051 1.00 37.76 H +ATOM 1146 HG21 ILE A 70 -0.026 -11.277 -3.038 1.00 20.11 H +ATOM 1147 HG22 ILE A 70 -0.969 -11.623 -4.488 1.00 2.42 H +ATOM 1148 HG23 ILE A 70 -1.225 -12.571 -3.023 1.00 35.33 H +ATOM 1149 HD11 ILE A 70 0.405 -9.303 -3.332 1.00 72.32 H +ATOM 1150 HD12 ILE A 70 -0.347 -8.668 -1.868 1.00 25.15 H +ATOM 1151 HD13 ILE A 70 -0.220 -7.654 -3.305 1.00 51.21 H +ATOM 1152 N THR A 71 -4.624 -10.116 -1.521 1.00 63.41 N +ATOM 1153 CA THR A 71 -5.605 -9.297 -0.797 1.00 64.24 C +ATOM 1154 C THR A 71 -5.030 -7.918 -0.446 1.00 54.22 C +ATOM 1155 O THR A 71 -3.873 -7.809 -0.041 1.00 4.42 O +ATOM 1156 CB THR A 71 -6.046 -9.991 0.518 1.00 24.12 C +ATOM 1157 CG2 THR A 71 -7.163 -9.214 1.210 1.00 11.42 C +ATOM 1158 OG1 THR A 71 -6.491 -11.332 0.252 1.00 63.51 O +ATOM 1159 H THR A 71 -4.014 -10.686 -1.008 1.00 37.76 H +ATOM 1160 HA THR A 71 -6.477 -9.170 -1.426 1.00 21.50 H +ATOM 1161 HB THR A 71 -5.194 -10.037 1.185 1.00 51.21 H +ATOM 1162 HG1 THR A 71 -6.098 -11.935 0.900 1.00 35.33 H +ATOM 1163 HG21 THR A 71 -6.816 -8.218 1.447 1.00 2.33 H +ATOM 1164 HG22 THR A 71 -7.446 -9.722 2.120 1.00 33.25 H +ATOM 1165 HG23 THR A 71 -8.019 -9.149 0.554 1.00 33.51 H +ATOM 1166 N VAL A 72 -5.839 -6.869 -0.588 1.00 10.42 N +ATOM 1167 CA VAL A 72 -5.418 -5.517 -0.203 1.00 42.22 C +ATOM 1168 C VAL A 72 -6.525 -4.782 0.574 1.00 30.22 C +ATOM 1169 O VAL A 72 -7.670 -4.698 0.127 1.00 2.30 O +ATOM 1170 CB VAL A 72 -4.994 -4.668 -1.436 1.00 44.42 C +ATOM 1171 CG1 VAL A 72 -6.174 -4.421 -2.376 1.00 54.14 C +ATOM 1172 CG2 VAL A 72 -4.364 -3.347 -0.995 1.00 74.32 C +ATOM 1173 H VAL A 72 -6.735 -7.004 -0.958 1.00 37.76 H +ATOM 1174 HA VAL A 72 -4.553 -5.615 0.445 1.00 61.53 H +ATOM 1175 HB VAL A 72 -4.246 -5.227 -1.985 1.00 71.34 H +ATOM 1176 HG11 VAL A 72 -6.947 -3.876 -1.853 1.00 40.33 H +ATOM 1177 HG12 VAL A 72 -6.571 -5.368 -2.715 1.00 42.31 H +ATOM 1178 HG13 VAL A 72 -5.842 -3.845 -3.229 1.00 24.41 H +ATOM 1179 HG21 VAL A 72 -3.488 -3.546 -0.394 1.00 70.13 H +ATOM 1180 HG22 VAL A 72 -5.078 -2.782 -0.413 1.00 61.21 H +ATOM 1181 HG23 VAL A 72 -4.077 -2.774 -1.865 1.00 60.54 H +ATOM 1182 N THR A 73 -6.182 -4.273 1.752 1.00 73.21 N +ATOM 1183 CA THR A 73 -7.117 -3.471 2.553 1.00 20.43 C +ATOM 1184 C THR A 73 -6.456 -2.160 2.988 1.00 73.44 C +ATOM 1185 O THR A 73 -5.435 -2.166 3.669 1.00 54.35 O +ATOM 1186 CB THR A 73 -7.611 -4.245 3.804 1.00 20.45 C +ATOM 1187 CG2 THR A 73 -8.410 -5.484 3.405 1.00 11.13 C +ATOM 1188 OG1 THR A 73 -6.499 -4.643 4.621 1.00 35.24 O +ATOM 1189 H THR A 73 -5.277 -4.441 2.097 1.00 37.76 H +ATOM 1190 HA THR A 73 -7.977 -3.238 1.935 1.00 34.20 H +ATOM 1191 HB THR A 73 -8.254 -3.594 4.382 1.00 62.54 H +ATOM 1192 HG1 THR A 73 -6.033 -5.376 4.197 1.00 0.42 H +ATOM 1193 HG21 THR A 73 -8.706 -6.023 4.294 1.00 4.11 H +ATOM 1194 HG22 THR A 73 -7.797 -6.124 2.785 1.00 0.23 H +ATOM 1195 HG23 THR A 73 -9.292 -5.187 2.855 1.00 20.34 H +ATOM 1196 N TYR A 74 -7.039 -1.034 2.597 1.00 62.42 N +ATOM 1197 CA TYR A 74 -6.435 0.277 2.862 1.00 10.04 C +ATOM 1198 C TYR A 74 -7.361 1.181 3.689 1.00 52.54 C +ATOM 1199 O TYR A 74 -8.461 1.523 3.261 1.00 32.32 O +ATOM 1200 CB TYR A 74 -6.044 0.960 1.536 1.00 2.20 C +ATOM 1201 CG TYR A 74 -7.132 0.938 0.471 1.00 61.50 C +ATOM 1202 CD1 TYR A 74 -7.297 -0.171 -0.355 1.00 43.21 C +ATOM 1203 CD2 TYR A 74 -7.994 2.020 0.291 1.00 53.34 C +ATOM 1204 CE1 TYR A 74 -8.281 -0.202 -1.323 1.00 41.43 C +ATOM 1205 CE2 TYR A 74 -8.982 1.993 -0.676 1.00 54.34 C +ATOM 1206 CZ TYR A 74 -9.122 0.879 -1.479 1.00 14.14 C +ATOM 1207 OH TYR A 74 -10.110 0.846 -2.441 1.00 54.24 O +ATOM 1208 H TYR A 74 -7.896 -1.081 2.122 1.00 37.76 H +ATOM 1209 HA TYR A 74 -5.533 0.108 3.434 1.00 4.23 H +ATOM 1210 HB2 TYR A 74 -5.794 1.993 1.733 1.00 12.41 H +ATOM 1211 HB3 TYR A 74 -5.174 0.462 1.131 1.00 37.76 H +ATOM 1212 HD1 TYR A 74 -6.637 -1.018 -0.231 1.00 25.32 H +ATOM 1213 HD2 TYR A 74 -7.882 2.892 0.921 1.00 63.12 H +ATOM 1214 HE1 TYR A 74 -8.391 -1.074 -1.952 1.00 32.13 H +ATOM 1215 HE2 TYR A 74 -9.641 2.843 -0.798 1.00 54.12 H +ATOM 1216 HH TYR A 74 -10.106 1.676 -2.936 1.00 65.55 H +ATOM 1217 N THR A 75 -6.910 1.558 4.885 1.00 43.03 N +ATOM 1218 CA THR A 75 -7.686 2.437 5.772 1.00 44.15 C +ATOM 1219 C THR A 75 -7.204 3.892 5.666 1.00 62.03 C +ATOM 1220 O THR A 75 -6.057 4.205 5.995 1.00 75.35 O +ATOM 1221 CB THR A 75 -7.588 1.986 7.254 1.00 41.42 C +ATOM 1222 CG2 THR A 75 -8.415 2.887 8.169 1.00 14.12 C +ATOM 1223 OG1 THR A 75 -8.039 0.629 7.391 1.00 75.21 O +ATOM 1224 H THR A 75 -6.031 1.238 5.182 1.00 37.76 H +ATOM 1225 HA THR A 75 -8.725 2.387 5.469 1.00 70.04 H +ATOM 1226 HB THR A 75 -6.552 2.040 7.561 1.00 64.25 H +ATOM 1227 HG1 THR A 75 -7.392 0.129 7.911 1.00 62.03 H +ATOM 1228 HG21 THR A 75 -8.048 3.900 8.108 1.00 1.42 H +ATOM 1229 HG22 THR A 75 -8.333 2.536 9.188 1.00 31.24 H +ATOM 1230 HG23 THR A 75 -9.451 2.861 7.863 1.00 34.33 H +ATOM 1231 N ILE A 76 -8.084 4.775 5.205 1.00 70.22 N +ATOM 1232 CA ILE A 76 -7.752 6.196 5.062 1.00 74.15 C +ATOM 1233 C ILE A 76 -7.897 6.934 6.402 1.00 72.55 C +ATOM 1234 O ILE A 76 -9.003 7.085 6.920 1.00 63.51 O +ATOM 1235 CB ILE A 76 -8.662 6.878 4.007 1.00 22.23 C +ATOM 1236 CG1 ILE A 76 -8.623 6.105 2.674 1.00 33.40 C +ATOM 1237 CG2 ILE A 76 -8.249 8.339 3.801 1.00 11.23 C +ATOM 1238 CD1 ILE A 76 -7.242 6.008 2.054 1.00 41.31 C +ATOM 1239 H ILE A 76 -8.984 4.469 4.955 1.00 37.76 H +ATOM 1240 HA ILE A 76 -6.725 6.269 4.724 1.00 44.55 H +ATOM 1241 HB ILE A 76 -9.675 6.869 4.385 1.00 21.13 H +ATOM 1242 HG12 ILE A 76 -8.979 5.099 2.837 1.00 73.42 H +ATOM 1243 HG13 ILE A 76 -9.271 6.597 1.961 1.00 37.76 H +ATOM 1244 HG21 ILE A 76 -7.223 8.381 3.464 1.00 52.33 H +ATOM 1245 HG22 ILE A 76 -8.344 8.878 4.732 1.00 42.54 H +ATOM 1246 HG23 ILE A 76 -8.889 8.793 3.058 1.00 42.03 H +ATOM 1247 HD11 ILE A 76 -6.577 5.495 2.734 1.00 5.14 H +ATOM 1248 HD12 ILE A 76 -6.863 7.001 1.859 1.00 64.44 H +ATOM 1249 HD13 ILE A 76 -7.303 5.458 1.127 1.00 64.23 H +ATOM 1250 N ARG A 77 -6.781 7.389 6.967 1.00 70.43 N +ATOM 1251 CA ARG A 77 -6.805 8.103 8.251 1.00 20.31 C +ATOM 1252 C ARG A 77 -7.243 9.561 8.049 1.00 61.24 C +ATOM 1253 O ARG A 77 -6.456 10.405 7.613 1.00 13.22 O +ATOM 1254 CB ARG A 77 -5.424 8.039 8.923 1.00 14.43 C +ATOM 1255 CG ARG A 77 -4.868 6.621 9.050 1.00 23.13 C +ATOM 1256 CD ARG A 77 -5.809 5.698 9.819 1.00 71.21 C +ATOM 1257 NE ARG A 77 -5.985 6.121 11.206 1.00 52.32 N +ATOM 1258 CZ ARG A 77 -7.135 6.169 11.823 1.00 44.42 C +ATOM 1259 NH1 ARG A 77 -8.233 5.903 11.196 1.00 5.14 N1+ +ATOM 1260 NH2 ARG A 77 -7.180 6.506 13.065 1.00 72.43 N +ATOM 1261 H ARG A 77 -5.922 7.252 6.511 1.00 37.76 H +ATOM 1262 HA ARG A 77 -7.526 7.609 8.889 1.00 24.43 H +ATOM 1263 HB2 ARG A 77 -4.726 8.625 8.340 1.00 33.33 H +ATOM 1264 HB3 ARG A 77 -5.495 8.466 9.914 1.00 37.76 H +ATOM 1265 HG2 ARG A 77 -4.717 6.216 8.059 1.00 61.51 H +ATOM 1266 HG3 ARG A 77 -3.920 6.664 9.567 1.00 37.76 H +ATOM 1267 HD2 ARG A 77 -6.773 5.689 9.327 1.00 53.12 H +ATOM 1268 HD3 ARG A 77 -5.396 4.698 9.808 1.00 37.76 H +ATOM 1269 HE ARG A 77 -5.181 6.364 11.711 1.00 25.42 H +ATOM 1270 HH11 ARG A 77 -8.213 5.658 10.234 1.00 53.02 H +ATOM 1271 HH12 ARG A 77 -9.106 5.956 11.679 1.00 15.24 H +ATOM 1272 HH21 ARG A 77 -6.339 6.732 13.549 1.00 40.43 H +ATOM 1273 HH22 ARG A 77 -8.056 6.534 13.543 1.00 50.44 H +ATOM 1274 N LEU A 78 -8.504 9.848 8.360 1.00 2.21 N +ATOM 1275 CA LEU A 78 -9.087 11.167 8.100 1.00 63.51 C +ATOM 1276 C LEU A 78 -8.696 12.202 9.166 1.00 3.20 C +ATOM 1277 O LEU A 78 -8.787 11.944 10.372 1.00 3.24 O +ATOM 1278 CB LEU A 78 -10.617 11.056 8.018 1.00 0.11 C +ATOM 1279 CG LEU A 78 -11.152 10.153 6.893 1.00 24.43 C +ATOM 1280 CD1 LEU A 78 -12.675 10.077 6.945 1.00 75.22 C +ATOM 1281 CD2 LEU A 78 -10.682 10.654 5.528 1.00 53.52 C +ATOM 1282 H LEU A 78 -9.061 9.156 8.777 1.00 37.76 H +ATOM 1283 HA LEU A 78 -8.716 11.506 7.144 1.00 44.12 H +ATOM 1284 HB2 LEU A 78 -10.978 10.672 8.961 1.00 71.11 H +ATOM 1285 HB3 LEU A 78 -11.024 12.048 7.876 1.00 37.76 H +ATOM 1286 HG LEU A 78 -10.767 9.152 7.031 1.00 34.32 H +ATOM 1287 HD11 LEU A 78 -13.093 11.063 6.802 1.00 42.12 H +ATOM 1288 HD12 LEU A 78 -12.986 9.691 7.905 1.00 43.54 H +ATOM 1289 HD13 LEU A 78 -13.031 9.420 6.164 1.00 63.50 H +ATOM 1290 HD21 LEU A 78 -11.086 10.021 4.752 1.00 62.14 H +ATOM 1291 HD22 LEU A 78 -9.602 10.629 5.487 1.00 14.11 H +ATOM 1292 HD23 LEU A 78 -11.022 11.669 5.379 1.00 30.32 H +ATOM 1293 N GLU A 79 -8.260 13.372 8.706 1.00 51.45 N +ATOM 1294 CA GLU A 79 -7.980 14.505 9.589 1.00 21.42 C +ATOM 1295 C GLU A 79 -9.283 14.982 10.254 1.00 3.42 C +ATOM 1296 O GLU A 79 -10.212 15.431 9.577 1.00 52.42 O +ATOM 1297 CB GLU A 79 -7.330 15.641 8.782 1.00 53.30 C +ATOM 1298 CG GLU A 79 -6.915 16.848 9.614 1.00 50.41 C +ATOM 1299 CD GLU A 79 -6.280 17.942 8.768 1.00 5.02 C +ATOM 1300 OE1 GLU A 79 -5.080 17.837 8.451 1.00 41.12 O +ATOM 1301 OE2 GLU A 79 -6.981 18.909 8.406 1.00 62.14 O1- +ATOM 1302 H GLU A 79 -8.120 13.480 7.742 1.00 37.76 H +ATOM 1303 HA GLU A 79 -7.293 14.173 10.354 1.00 52.24 H +ATOM 1304 HB2 GLU A 79 -6.448 15.254 8.291 1.00 22.33 H +ATOM 1305 HB3 GLU A 79 -8.030 15.974 8.027 1.00 37.76 H +ATOM 1306 HG2 GLU A 79 -7.789 17.249 10.106 1.00 61.44 H +ATOM 1307 HG3 GLU A 79 -6.201 16.529 10.361 1.00 37.76 H +ATOM 1308 N HIS A 80 -9.353 14.871 11.578 1.00 22.32 N +ATOM 1309 CA HIS A 80 -10.603 15.120 12.310 1.00 75.35 C +ATOM 1310 C HIS A 80 -10.466 16.240 13.355 1.00 60.51 C +ATOM 1311 O HIS A 80 -9.361 16.684 13.675 1.00 34.33 O +ATOM 1312 CB HIS A 80 -11.087 13.819 12.970 1.00 65.11 C +ATOM 1313 CG HIS A 80 -10.030 13.106 13.759 1.00 4.22 C +ATOM 1314 CD2 HIS A 80 -9.717 13.146 15.078 1.00 73.11 C +ATOM 1315 ND1 HIS A 80 -9.140 12.218 13.187 1.00 4.01 N +ATOM 1316 CE1 HIS A 80 -8.332 11.746 14.114 1.00 24.44 C +ATOM 1317 NE2 HIS A 80 -8.660 12.292 15.266 1.00 44.34 N +ATOM 1318 H HIS A 80 -8.546 14.627 12.077 1.00 37.76 H +ATOM 1319 HA HIS A 80 -11.345 15.430 11.587 1.00 40.02 H +ATOM 1320 HB2 HIS A 80 -11.906 14.043 13.637 1.00 71.41 H +ATOM 1321 HB3 HIS A 80 -11.437 13.145 12.199 1.00 37.76 H +ATOM 1322 HD1 HIS A 80 -9.108 11.968 12.238 1.00 52.51 H +ATOM 1323 HD2 HIS A 80 -10.205 13.742 15.835 1.00 4.53 H +ATOM 1324 HE1 HIS A 80 -7.535 11.035 13.956 1.00 5.13 H +ATOM 1325 HE2 HIS A 80 -8.252 12.073 16.132 1.00 37.76 H +ATOM 1326 N HIS A 81 -11.606 16.679 13.879 1.00 72.22 N +ATOM 1327 CA HIS A 81 -11.666 17.771 14.854 1.00 33.53 C +ATOM 1328 C HIS A 81 -13.064 17.864 15.480 1.00 65.01 C +ATOM 1329 O HIS A 81 -14.044 18.112 14.778 1.00 31.44 O +ATOM 1330 CB HIS A 81 -11.311 19.109 14.180 1.00 2.12 C +ATOM 1331 CG HIS A 81 -11.523 20.310 15.057 1.00 54.22 C +ATOM 1332 CD2 HIS A 81 -10.758 20.841 16.040 1.00 4.04 C +ATOM 1333 ND1 HIS A 81 -12.638 21.116 14.971 1.00 13.23 N +ATOM 1334 CE1 HIS A 81 -12.552 22.084 15.857 1.00 21.21 C +ATOM 1335 NE2 HIS A 81 -11.424 21.942 16.520 1.00 51.41 N +ATOM 1336 H HIS A 81 -12.447 16.251 13.601 1.00 37.76 H +ATOM 1337 HA HIS A 81 -10.944 17.564 15.634 1.00 32.42 H +ATOM 1338 HB2 HIS A 81 -10.270 19.091 13.889 1.00 75.12 H +ATOM 1339 HB3 HIS A 81 -11.921 19.230 13.296 1.00 37.76 H +ATOM 1340 HD1 HIS A 81 -13.382 20.999 14.341 1.00 50.21 H +ATOM 1341 HD2 HIS A 81 -9.800 20.473 16.380 1.00 41.13 H +ATOM 1342 HE1 HIS A 81 -13.283 22.866 16.014 1.00 11.23 H +ATOM 1343 HE2 HIS A 81 -11.063 22.590 17.164 1.00 37.76 H +ATOM 1344 N HIS A 82 -13.153 17.659 16.794 1.00 23.21 N +ATOM 1345 CA HIS A 82 -14.429 17.764 17.511 1.00 52.51 C +ATOM 1346 C HIS A 82 -14.998 19.193 17.406 1.00 52.31 C +ATOM 1347 O HIS A 82 -14.638 20.077 18.186 1.00 54.42 O +ATOM 1348 CB HIS A 82 -14.233 17.363 18.983 1.00 15.23 C +ATOM 1349 CG HIS A 82 -15.503 17.314 19.781 1.00 20.13 C +ATOM 1350 CD2 HIS A 82 -16.463 16.360 19.871 1.00 61.04 C +ATOM 1351 ND1 HIS A 82 -15.902 18.331 20.621 1.00 21.42 N +ATOM 1352 CE1 HIS A 82 -17.043 18.005 21.196 1.00 14.15 C +ATOM 1353 NE2 HIS A 82 -17.404 16.820 20.758 1.00 41.02 N +ATOM 1354 H HIS A 82 -12.342 17.425 17.295 1.00 37.76 H +ATOM 1355 HA HIS A 82 -15.125 17.077 17.049 1.00 61.20 H +ATOM 1356 HB2 HIS A 82 -13.781 16.382 19.025 1.00 72.24 H +ATOM 1357 HB3 HIS A 82 -13.570 18.074 19.458 1.00 37.76 H +ATOM 1358 HD1 HIS A 82 -15.417 19.171 20.778 1.00 43.42 H +ATOM 1359 HD2 HIS A 82 -16.481 15.415 19.348 1.00 4.21 H +ATOM 1360 HE1 HIS A 82 -17.588 18.610 21.903 1.00 12.51 H +ATOM 1361 HE2 HIS A 82 -18.270 16.393 20.939 1.00 37.76 H +ATOM 1362 N HIS A 83 -15.865 19.411 16.415 1.00 60.33 N +ATOM 1363 CA HIS A 83 -16.435 20.742 16.149 1.00 61.43 C +ATOM 1364 C HIS A 83 -17.291 21.273 17.312 1.00 13.32 C +ATOM 1365 O HIS A 83 -17.698 20.522 18.202 1.00 34.21 O +ATOM 1366 CB HIS A 83 -17.267 20.720 14.853 1.00 24.45 C +ATOM 1367 CG HIS A 83 -18.387 19.712 14.829 1.00 64.41 C +ATOM 1368 CD2 HIS A 83 -19.048 19.071 15.828 1.00 70.41 C +ATOM 1369 ND1 HIS A 83 -18.963 19.264 13.657 1.00 0.23 N +ATOM 1370 CE1 HIS A 83 -19.921 18.404 13.936 1.00 21.32 C +ATOM 1371 NE2 HIS A 83 -19.992 18.267 15.243 1.00 2.12 N +ATOM 1372 H HIS A 83 -16.117 18.660 15.834 1.00 37.76 H +ATOM 1373 HA HIS A 83 -15.607 21.421 16.008 1.00 44.42 H +ATOM 1374 HB2 HIS A 83 -17.706 21.696 14.703 1.00 61.31 H +ATOM 1375 HB3 HIS A 83 -16.610 20.502 14.022 1.00 37.76 H +ATOM 1376 HD1 HIS A 83 -18.702 19.535 12.754 1.00 50.24 H +ATOM 1377 HD2 HIS A 83 -18.863 19.174 16.889 1.00 4.10 H +ATOM 1378 HE1 HIS A 83 -20.544 17.896 13.213 1.00 31.51 H +ATOM 1379 HE2 HIS A 83 -20.513 17.576 15.707 1.00 37.76 H +ATOM 1380 N HIS A 84 -17.557 22.577 17.292 1.00 24.14 N +ATOM 1381 CA HIS A 84 -18.422 23.213 18.290 1.00 74.41 C +ATOM 1382 C HIS A 84 -19.850 23.397 17.752 1.00 11.23 C +ATOM 1383 O HIS A 84 -20.823 23.187 18.474 1.00 52.15 O +ATOM 1384 CB HIS A 84 -17.842 24.566 18.724 1.00 31.54 C +ATOM 1385 CG HIS A 84 -16.499 24.459 19.383 1.00 63.34 C +ATOM 1386 CD2 HIS A 84 -15.299 25.002 19.057 1.00 75.35 C +ATOM 1387 ND1 HIS A 84 -16.278 23.719 20.524 1.00 52.32 N +ATOM 1388 CE1 HIS A 84 -15.013 23.812 20.870 1.00 14.54 C +ATOM 1389 NE2 HIS A 84 -14.396 24.584 20.001 1.00 31.41 N +ATOM 1390 H HIS A 84 -17.158 23.128 16.585 1.00 37.76 H +ATOM 1391 HA HIS A 84 -18.463 22.560 19.152 1.00 74.44 H +ATOM 1392 HB2 HIS A 84 -17.738 25.202 17.856 1.00 43.04 H +ATOM 1393 HB3 HIS A 84 -18.518 25.033 19.426 1.00 37.76 H +ATOM 1394 HD1 HIS A 84 -16.950 23.189 21.005 1.00 14.11 H +ATOM 1395 HD2 HIS A 84 -15.092 25.643 18.210 1.00 75.31 H +ATOM 1396 HE1 HIS A 84 -14.556 23.333 21.725 1.00 31.42 H +ATOM 1397 HE2 HIS A 84 -13.493 24.954 20.124 1.00 37.76 H +ATOM 1398 N HIS A 85 -19.973 23.774 16.479 1.00 2.14 N +ATOM 1399 CA HIS A 85 -21.296 23.977 15.858 1.00 53.23 C +ATOM 1400 C HIS A 85 -21.506 23.043 14.642 1.00 63.44 C +ATOM 1401 O HIS A 85 -22.106 23.477 13.634 1.00 37.76 O +ATOM 1402 CB HIS A 85 -21.461 25.453 15.449 1.00 31.41 C +ATOM 1403 CG HIS A 85 -20.469 25.919 14.421 1.00 42.43 C +ATOM 1404 CD2 HIS A 85 -19.296 26.582 14.551 1.00 2.41 C +ATOM 1405 ND1 HIS A 85 -20.628 25.701 13.070 1.00 71.33 N +ATOM 1406 CE1 HIS A 85 -19.605 26.206 12.417 1.00 13.33 C +ATOM 1407 NE2 HIS A 85 -18.777 26.746 13.288 1.00 42.51 N +ATOM 1408 OXT HIS A 85 -21.049 21.879 14.697 1.00 37.76 O1- +ATOM 1409 H HIS A 85 -19.164 23.904 15.940 1.00 37.76 H +ATOM 1410 HA HIS A 85 -22.048 23.739 16.598 1.00 52.24 H +ATOM 1411 HB2 HIS A 85 -22.452 25.597 15.039 1.00 24.45 H +ATOM 1412 HB3 HIS A 85 -21.350 26.075 16.326 1.00 37.76 H +ATOM 1413 HD1 HIS A 85 -21.384 25.231 12.652 1.00 50.33 H +ATOM 1414 HD2 HIS A 85 -18.848 26.918 15.477 1.00 33.41 H +ATOM 1415 HE1 HIS A 85 -19.466 26.181 11.346 1.00 24.44 H +ATOM 1416 HE2 HIS A 85 -17.839 26.964 13.095 1.00 37.76 H +TER +END diff --git a/RFdiffusion/helper_scripts/make_secstruc_adj.py b/RFdiffusion/helper_scripts/make_secstruc_adj.py new file mode 100644 index 0000000000000000000000000000000000000000..62494d87e6c41a680e328721774c54fda15c332c --- /dev/null +++ b/RFdiffusion/helper_scripts/make_secstruc_adj.py @@ -0,0 +1,503 @@ +#!/usr/bin/env python +import os,sys,glob,torch,random +import numpy as np +import argparse +try: + import pyrosetta + pyrosetta.init() + APPROX = False +except: + print("WARNING: pyRosetta not found, will use an approximate SSE calculation") + APPROX = True + +def main(): + args=get_args() + assert args.input_pdb or args.pdb_dir is not None, 'Need to provide either an input pdb (--input_pdb) or a path to pdbs (--pdb_dir)' + assert not (args.input_pdb is not None and args.pdb_dir is not None), 'Need to provide either --input_pdb or --pdb_dir, not both' + + os.makedirs(args.out_dir, exist_ok=True) + if args.pdb_dir is not None: + pdbs=glob.glob(f'{args.pdb_dir}/*pdb') + else: + pdbs=[args.input_pdb] + for pdb in pdbs: + name=os.path.split(pdb)[1][:-4] + secstruc_dict=extract_secstruc(pdb) + xyz,_,_ = parse_pdb_torch(pdb) + ss, idx = ss_to_tensor(secstruc_dict) + block_adj = construct_block_adj_matrix(torch.FloatTensor(ss), torch.tensor(xyz)).float() + ss_tens, mask = mask_ss(ss, idx, max_mask=0) + ss_argmax = torch.argmax(ss_tens[:,:4], dim=1).float() + torch.save(ss_argmax, os.path.join(args.out_dir, f'{name}_ss.pt')) + torch.save(block_adj, os.path.join(args.out_dir, f'{name}_adj.pt')) + +def get_args(): + parser = argparse.ArgumentParser(formatter_class=argparse.ArgumentDefaultsHelpFormatter) + parser.add_argument("--pdb_dir",required=False, help="path to directory of pdbs. Either pass this or the path to a specific pdb (--input_pdb)", default=None) + parser.add_argument("--input_pdb", required=False, help="path to input pdb. Either provide this of path to directory of pdbs (--pdb_dir)", default=None) + parser.add_argument("--out_dir",dest="out_dir", required=True, help='need to specify an output path') + args = parser.parse_args() + return args + + +def extract_secstruc(fn): + pdb=parse_pdb(fn) + idx = pdb['idx'] + if APPROX: + aa_sequence = pdb["seq"] + secstruct = get_sse(pdb["xyz"][:,1]) + else: + dssp = pyrosetta.rosetta.core.scoring.dssp + pose = pyrosetta.io.pose_from_pdb(fn) + dssp.Dssp(pose).insert_ss_into_pose(pose, True) + aa_sequence = pose.sequence() + secstruct = pose.secstruct() + secstruc_dict = {'sequence':[i for i in aa_sequence], + 'idx':[int(i) for i in idx], + 'ss':[i for i in secstruct]} + return secstruc_dict + +def ss_to_tensor(ss): + """ + Function to convert ss files to indexed tensors + 0 = Helix + 1 = Strand + 2 = Loop + 3 = Mask/unknown + 4 = idx for pdb + """ + ss_conv = {'H':0,'E':1,'L':2} + idx = np.array(ss['idx']) + ss_int = np.array([int(ss_conv[i]) for i in ss['ss']]) + return ss_int, idx + +def mask_ss(ss, idx, min_mask = 0, max_mask = 1.0): + mask_prop = random.uniform(min_mask, max_mask) + transitions = np.where(ss[:-1] - ss[1:] != 0)[0] #gets last index of each block of ss + stuck_counter = 0 + while len(ss[ss == 3])/len(ss) < mask_prop or stuck_counter > 100: + width = random.randint(1,9) + start = random.choice(transitions) + offset = random.randint(-8,1) + try: + + ss[start+offset:start+offset+width] = 3 + except: + stuck_counter += 1 + pass + ss = torch.tensor(ss) + ss = torch.nn.functional.one_hot(ss, num_classes=4) + ss = torch.cat((ss, torch.tensor(idx)[...,None]), dim=-1) +# mask = torch.where(torch.argmax(ss[:,:-1], dim=-1) == 3, False, True) + mask=torch.tensor(np.where(np.argmax(ss[:,:-1].numpy(), axis=-1) == 3)) + return ss, mask + +def generate_Cbeta(N,Ca,C): + # recreate Cb given N,Ca,C + b = Ca - N + c = C - Ca + a = torch.cross(b, c, dim=-1) + #Cb = -0.58273431*a + 0.56802827*b - 0.54067466*c + Ca + # fd: below matches sidechain generator (=Rosetta params) + Cb = -0.57910144*a + 0.5689693*b - 0.5441217*c + Ca + + return Cb + +def get_pair_dist(a, b): + """calculate pair distances between two sets of points + + Parameters + ---------- + a,b : pytorch tensors of shape [batch,nres,3] + store Cartesian coordinates of two sets of atoms + Returns + ------- + dist : pytorch tensor of shape [batch,nres,nres] + stores paitwise distances between atoms in a and b + """ + + dist = torch.cdist(a, b, p=2) + return dist + + +def construct_block_adj_matrix( sstruct, xyz, cutoff=6, include_loops=False ): + ''' + Given a sstruct specification and backbone coordinates, build a block adjacency matrix. + + Input: + + sstruct (torch.FloatTensor): (L) length tensor with numeric encoding of sstruct at each position + + xyz (torch.FloatTensor): (L,3,3) tensor of Cartesian coordinates of backbone N,Ca,C atoms + + cutoff (float): The Cb distance cutoff under which residue pairs are considered adjacent + By eye, Nate thinks 6A is a good Cb distance cutoff + + Output: + + block_adj (torch.FloatTensor): (L,L) boolean matrix where adjacent secondary structure contacts are 1 + ''' + + L = xyz.shape[0] + + # three anchor atoms + N = xyz[:,0] + Ca = xyz[:,1] + C = xyz[:,2] + + # recreate Cb given N,Ca,C + Cb = generate_Cbeta(N,Ca,C) + + # May need a batch dimension - NRB + dist = get_pair_dist(Cb,Cb) # [L,L] + dist[torch.isnan(dist)] = 999.9 + + dist += 999.9*torch.eye(L,device=xyz.device) + # Now we have dist matrix and sstruct specification, turn this into a block adjacency matrix + # There is probably a way to do this in closed-form with a beautiful einsum but I am going to do the loop approach + + # First: Construct a list of segments and the index at which they begin and end + in_segment = True + segments = [] + + begin = -1 + end = -1 + + for i in range(sstruct.shape[0]): + # Starting edge case + if i == 0: + begin = 0 + continue + + if not sstruct[i] == sstruct[i-1]: + end = i + segments.append( (sstruct[i-1], begin, end) ) + + begin = i + + # Ending edge case: last segment is length one + if not end == sstruct.shape[0]: + segments.append( (sstruct[-1], begin, sstruct.shape[0]) ) + + + block_adj = torch.zeros_like(dist) + for i in range(len(segments)): + curr_segment = segments[i] + + if curr_segment[0] == 2 and not include_loops: continue + + begin_i = curr_segment[1] + end_i = curr_segment[2] + for j in range(i+1, len(segments)): + j_segment = segments[j] + + if j_segment[0] == 2 and not include_loops: continue + + begin_j = j_segment[1] + end_j = j_segment[2] + + if torch.any( dist[begin_i:end_i, begin_j:end_j] < cutoff ): + # Matrix is symmetic + block_adj[begin_i:end_i, begin_j:end_j] = torch.ones(end_i - begin_i, end_j - begin_j) + block_adj[begin_j:end_j, begin_i:end_i] = torch.ones(end_j - begin_j, end_i - begin_i) + return block_adj + +def parse_pdb_torch(filename): + lines = open(filename,'r').readlines() + return parse_pdb_lines_torch(lines) + +#''' +def parse_pdb_lines_torch(lines): + + # indices of residues observed in the structure + pdb_idx = [] + for l in lines: + if l[:4]=="ATOM" and l[12:16].strip()=="CA": + idx = ( l[21:22].strip(), int(l[22:26].strip()) ) + if idx not in pdb_idx: + pdb_idx.append(idx) + + # 4 BB + up to 10 SC atoms + xyz = np.full((len(pdb_idx), 27, 3), np.nan, dtype=np.float32) + for l in lines: + if l[:4] != "ATOM": + continue + chain, resNo, atom, aa = l[21:22], int(l[22:26]), ' '+l[12:16].strip().ljust(3), l[17:20] + idx = pdb_idx.index((chain,resNo)) + for i_atm, tgtatm in enumerate(aa2long[aa2num[aa]]): + if tgtatm == atom: + xyz[idx,i_atm,:] = [float(l[30:38]), float(l[38:46]), float(l[46:54])] + break + # save atom mask + mask = np.logical_not(np.isnan(xyz[...,0])) + xyz[np.isnan(xyz[...,0])] = 0.0 + + return xyz,mask,np.array(pdb_idx) + +def parse_pdb(filename, **kwargs): + '''extract xyz coords for all heavy atoms''' + lines = open(filename,'r').readlines() + return parse_pdb_lines(lines, **kwargs) + +def parse_pdb_lines(lines, parse_hetatom=False, ignore_het_h=True): + # indices of residues observed in the structure + res = [(l[22:26],l[17:20]) for l in lines if l[:4]=="ATOM" and l[12:16].strip()=="CA"] + seq = [aa2num[r[1]] if r[1] in aa2num.keys() else 20 for r in res] + pdb_idx = [( l[21:22].strip(), int(l[22:26].strip()) ) for l in lines if l[:4]=="ATOM" and l[12:16].strip()=="CA"] # chain letter, res num + + # 4 BB + up to 10 SC atoms + xyz = np.full((len(res), 27, 3), np.nan, dtype=np.float32) + for l in lines: + if l[:4] != "ATOM": + continue + chain, resNo, atom, aa = l[21:22], int(l[22:26]), ' '+l[12:16].strip().ljust(3), l[17:20] + idx = pdb_idx.index((chain,resNo)) + for i_atm, tgtatm in enumerate(aa2long[aa2num[aa]]): + if tgtatm is not None and tgtatm.strip() == atom.strip(): # ignore whitespace + xyz[idx,i_atm,:] = [float(l[30:38]), float(l[38:46]), float(l[46:54])] + break + + # save atom mask + mask = np.logical_not(np.isnan(xyz[...,0])) + xyz[np.isnan(xyz[...,0])] = 0.0 + # remove duplicated (chain, resi) + new_idx = [] + i_unique = [] + for i,idx in enumerate(pdb_idx): + if idx not in new_idx: + new_idx.append(idx) + i_unique.append(i) + + pdb_idx = new_idx + xyz = xyz[i_unique] + mask = mask[i_unique] + seq = np.array(seq)[i_unique] + + out = {'xyz':xyz, # cartesian coordinates, [Lx14] + 'mask':mask, # mask showing which atoms are present in the PDB file, [Lx14] + 'idx':np.array([i[1] for i in pdb_idx]), # residue numbers in the PDB file, [L] + 'seq':np.array(seq), # amino acid sequence, [L] + 'pdb_idx': pdb_idx, # list of (chain letter, residue number) in the pdb file, [L] + } + # heteroatoms (ligands, etc) + if parse_hetatom: + xyz_het, info_het = [], [] + for l in lines: + if l[:6]=='HETATM' and not (ignore_het_h and l[77]=='H'): + info_het.append(dict( + idx=int(l[7:11]), + atom_id=l[12:16], + atom_type=l[77], + name=l[16:20] + )) + xyz_het.append([float(l[30:38]), float(l[38:46]), float(l[46:54])]) + + out['xyz_het'] = np.array(xyz_het) + out['info_het'] = info_het + + return out + +num2aa=[ + 'ALA','ARG','ASN','ASP','CYS', + 'GLN','GLU','GLY','HIS','ILE', + 'LEU','LYS','MET','PHE','PRO', + 'SER','THR','TRP','TYR','VAL', + 'UNK','MAS', + ] + +aa2num= {x:i for i,x in enumerate(num2aa)} +# full sc atom representation (Nx14) +aa2long=[ + (" N "," CA "," C "," O "," CB ", None, None, None, None, None, None, None, None, None," H "," HA ","1HB ","2HB ","3HB ", None, None, None, None, None, None, None, None), # ala + (" N "," CA "," C "," O "," CB "," CG "," CD "," NE "," CZ "," NH1"," NH2", None, None, None," H "," HA ","1HB ","2HB ","1HG ","2HG ","1HD ","2HD "," HE ","1HH1","2HH1","1HH2","2HH2"), # arg + (" N "," CA "," C "," O "," CB "," CG "," OD1"," ND2", None, None, None, None, None, None," H "," HA ","1HB ","2HB ","1HD2","2HD2", None, None, None, None, None, None, None), # asn + (" N "," CA "," C "," O "," CB "," CG "," OD1"," OD2", None, None, None, None, None, None," H "," HA ","1HB ","2HB ", None, None, None, None, None, None, None, None, None), # asp + (" N "," CA "," C "," O "," CB "," SG ", None, None, None, None, None, None, None, None," H "," HA ","1HB ","2HB "," HG ", None, None, None, None, None, None, None, None), # cys + (" N "," CA "," C "," O "," CB "," CG "," CD "," OE1"," NE2", None, None, None, None, None," H "," HA ","1HB ","2HB ","1HG ","2HG ","1HE2","2HE2", None, None, None, None, None), # gln + (" N "," CA "," C "," O "," CB "," CG "," CD "," OE1"," OE2", None, None, None, None, None," H "," HA ","1HB ","2HB ","1HG ","2HG ", None, None, None, None, None, None, None), # glu + (" N "," CA "," C "," O ", None, None, None, None, None, None, None, None, None, None," H ","1HA ","2HA ", None, None, None, None, None, None, None, None, None, None), # gly + (" N "," CA "," C "," O "," CB "," CG "," ND1"," CD2"," CE1"," NE2", None, None, None, None," H "," HA ","1HB ","2HB "," HD2"," HE1"," HE2", None, None, None, None, None, None), # his + (" N "," CA "," C "," O "," CB "," CG1"," CG2"," CD1", None, None, None, None, None, None," H "," HA "," HB ","1HG2","2HG2","3HG2","1HG1","2HG1","1HD1","2HD1","3HD1", None, None), # ile + (" N "," CA "," C "," O "," CB "," CG "," CD1"," CD2", None, None, None, None, None, None," H "," HA ","1HB ","2HB "," HG ","1HD1","2HD1","3HD1","1HD2","2HD2","3HD2", None, None), # leu + (" N "," CA "," C "," O "," CB "," CG "," CD "," CE "," NZ ", None, None, None, None, None," H "," HA ","1HB ","2HB ","1HG ","2HG ","1HD ","2HD ","1HE ","2HE ","1HZ ","2HZ ","3HZ "), # lys + (" N "," CA "," C "," O "," CB "," CG "," SD "," CE ", None, None, None, None, None, None," H "," HA ","1HB ","2HB ","1HG ","2HG ","1HE ","2HE ","3HE ", None, None, None, None), # met + (" N "," CA "," C "," O "," CB "," CG "," CD1"," CD2"," CE1"," CE2"," CZ ", None, None, None," H "," HA ","1HB ","2HB "," HD1"," HD2"," HE1"," HE2"," HZ ", None, None, None, None), # phe + (" N "," CA "," C "," O "," CB "," CG "," CD ", None, None, None, None, None, None, None," HA ","1HB ","2HB ","1HG ","2HG ","1HD ","2HD ", None, None, None, None, None, None), # pro + (" N "," CA "," C "," O "," CB "," OG ", None, None, None, None, None, None, None, None," H "," HG "," HA ","1HB ","2HB ", None, None, None, None, None, None, None, None), # ser + (" N "," CA "," C "," O "," CB "," OG1"," CG2", None, None, None, None, None, None, None," H "," HG1"," HA "," HB ","1HG2","2HG2","3HG2", None, None, None, None, None, None), # thr + (" N "," CA "," C "," O "," CB "," CG "," CD1"," CD2"," NE1"," CE2"," CE3"," CZ2"," CZ3"," CH2"," H "," HA ","1HB ","2HB "," HD1"," HE1"," HZ2"," HH2"," HZ3"," HE3", None, None, None), # trp + (" N "," CA "," C "," O "," CB "," CG "," CD1"," CD2"," CE1"," CE2"," CZ "," OH ", None, None," H "," HA ","1HB ","2HB "," HD1"," HE1"," HE2"," HD2"," HH ", None, None, None, None), # tyr + (" N "," CA "," C "," O "," CB "," CG1"," CG2", None, None, None, None, None, None, None," H "," HA "," HB ","1HG1","2HG1","3HG1","1HG2","2HG2","3HG2", None, None, None, None), # val + (" N "," CA "," C "," O "," CB ", None, None, None, None, None, None, None, None, None," H "," HA ","1HB ","2HB ","3HB ", None, None, None, None, None, None, None, None), # unk + (" N "," CA "," C "," O "," CB ", None, None, None, None, None, None, None, None, None," H "," HA ","1HB ","2HB ","3HB ", None, None, None, None, None, None, None, None), # mask +] + +def get_sse(ca_coord): + ''' + calculates the SSE of a peptide chain based on the P-SEA algorithm (Labesse 1997) + code borrowed from biokite: https://github.com/biokit/biokit + ''' + def vector_dot(v1,v2): return (v1*v2).sum(-1) + def norm_vector(v): return v / np.linalg.norm(v, axis=-1, keepdims=True) + def displacement(atoms1, atoms2): + v1 = np.asarray(atoms1) + v2 = np.asarray(atoms2) + if len(v1.shape) <= len(v2.shape): + diff = v2 - v1 + else: + diff = -(v1 - v2) + return diff + def distance(atoms1, atoms2): + diff = displacement(atoms1, atoms2) + return np.sqrt(vector_dot(diff, diff)) + + def angle(atoms1, atoms2, atoms3): + v1 = norm_vector(displacement(atoms1, atoms2)) + v2 = norm_vector(displacement(atoms3, atoms2)) + return np.arccos(vector_dot(v1,v2)) + + def dihedral(atoms1, atoms2, atoms3, atoms4): + v1 = norm_vector(displacement(atoms1, atoms2)) + v2 = norm_vector(displacement(atoms2, atoms3)) + v3 = norm_vector(displacement(atoms3, atoms4)) + + n1 = np.cross(v1, v2) + n2 = np.cross(v2, v3) + + # Calculation using atan2, to ensure the correct sign of the angle + x = vector_dot(n1,n2) + y = vector_dot(np.cross(n1,n2), v2) + return np.arctan2(y,x) + + _radians_to_angle = 2*np.pi/360 + + _r_helix = ((89-12)*_radians_to_angle, (89+12)*_radians_to_angle) + _a_helix = ((50-20)*_radians_to_angle, (50+20)*_radians_to_angle) + _d2_helix = ((5.5-0.5), (5.5+0.5)) + _d3_helix = ((5.3-0.5), (5.3+0.5)) + _d4_helix = ((6.4-0.6), (6.4+0.6)) + + _r_strand = ((124-14)*_radians_to_angle, (124+14)*_radians_to_angle) + _a_strand = ((-180)*_radians_to_angle, (-125)*_radians_to_angle, + (145)*_radians_to_angle, (180)*_radians_to_angle) + _d2_strand = ((6.7-0.6), (6.7+0.6)) + _d3_strand = ((9.9-0.9), (9.9+0.9)) + _d4_strand = ((12.4-1.1), (12.4+1.1)) + + # Filter all CA atoms in the relevant chain. + + d2i_coord = np.full(( len(ca_coord), 2, 3 ), np.nan) + d3i_coord = np.full(( len(ca_coord), 2, 3 ), np.nan) + d4i_coord = np.full(( len(ca_coord), 2, 3 ), np.nan) + ri_coord = np.full(( len(ca_coord), 3, 3 ), np.nan) + ai_coord = np.full(( len(ca_coord), 4, 3 ), np.nan) + + # The distances and angles are not defined for the entire interval, + # therefore the indices do not have the full range + # Values that are not defined are NaN + for i in range(1, len(ca_coord)-1): d2i_coord[i] = (ca_coord[i-1], ca_coord[i+1]) + for i in range(1, len(ca_coord)-2): d3i_coord[i] = (ca_coord[i-1], ca_coord[i+2]) + for i in range(1, len(ca_coord)-3): d4i_coord[i] = (ca_coord[i-1], ca_coord[i+3]) + for i in range(1, len(ca_coord)-1): ri_coord[i] = (ca_coord[i-1], ca_coord[i], ca_coord[i+1]) + for i in range(1, len(ca_coord)-2): ai_coord[i] = (ca_coord[i-1], ca_coord[i], ca_coord[i+1], ca_coord[i+2]) + + d2i = distance(d2i_coord[:,0], d2i_coord[:,1]) + d3i = distance(d3i_coord[:,0], d3i_coord[:,1]) + d4i = distance(d4i_coord[:,0], d4i_coord[:,1]) + ri = angle(ri_coord[:,0], ri_coord[:,1], ri_coord[:,2]) + ai = dihedral(ai_coord[:,0], ai_coord[:,1], ai_coord[:,2], ai_coord[:,3]) + + sse = ["L"] * len(ca_coord) + + # Annotate helices + # Find CA that meet criteria for potential helices + is_pot_helix = np.zeros(len(sse), dtype=bool) + for i in range(len(sse)): + if ( + d3i[i] >= _d3_helix[0] and d3i[i] <= _d3_helix[1] + and d4i[i] >= _d4_helix[0] and d4i[i] <= _d4_helix[1] + ) or ( + ri[i] >= _r_helix[0] and ri[i] <= _r_helix[1] + and ai[i] >= _a_helix[0] and ai[i] <= _a_helix[1] + ): + is_pot_helix[i] = True + # Real helices are 5 consecutive helix elements + is_helix = np.zeros(len(sse), dtype=bool) + counter = 0 + for i in range(len(sse)): + if is_pot_helix[i]: + counter += 1 + else: + if counter >= 5: + is_helix[i-counter : i] = True + counter = 0 + # Extend the helices by one at each end if CA meets extension criteria + i = 0 + while i < len(sse): + if is_helix[i]: + sse[i] = "H" + if ( + d3i[i-1] >= _d3_helix[0] and d3i[i-1] <= _d3_helix[1] + ) or ( + ri[i-1] >= _r_helix[0] and ri[i-1] <= _r_helix[1] + ): + sse[i-1] = "H" + sse[i] = "H" + if ( + d3i[i+1] >= _d3_helix[0] and d3i[i+1] <= _d3_helix[1] + ) or ( + ri[i+1] >= _r_helix[0] and ri[i+1] <= _r_helix[1] + ): + sse[i+1] = "H" + i += 1 + + # Annotate sheets + # Find CA that meet criteria for potential strands + is_pot_strand = np.zeros(len(sse), dtype=bool) + for i in range(len(sse)): + if ( d2i[i] >= _d2_strand[0] and d2i[i] <= _d2_strand[1] + and d3i[i] >= _d3_strand[0] and d3i[i] <= _d3_strand[1] + and d4i[i] >= _d4_strand[0] and d4i[i] <= _d4_strand[1] + ) or ( + ri[i] >= _r_strand[0] and ri[i] <= _r_strand[1] + and ( (ai[i] >= _a_strand[0] and ai[i] <= _a_strand[1]) + or (ai[i] >= _a_strand[2] and ai[i] <= _a_strand[3])) + ): + is_pot_strand[i] = True + # Real strands are 5 consecutive strand elements, + # or shorter fragments of at least 3 consecutive strand residues, + # if they are in hydrogen bond proximity to 5 other residues + pot_strand_coord = ca_coord[is_pot_strand] + is_strand = np.zeros(len(sse), dtype=bool) + counter = 0 + contacts = 0 + for i in range(len(sse)): + if is_pot_strand[i]: + counter += 1 + coord = ca_coord[i] + for strand_coord in ca_coord: + dist = distance(coord, strand_coord) + if dist >= 4.2 and dist <= 5.2: + contacts += 1 + else: + if counter >= 4: + is_strand[i-counter : i] = True + elif counter == 3 and contacts >= 5: + is_strand[i-counter : i] = True + counter = 0 + contacts = 0 + # Extend the strands by one at each end if CA meets extension criteria + i = 0 + while i < len(sse): + if is_strand[i]: + sse[i] = "E" + if d3i[i-1] >= _d3_strand[0] and d3i[i-1] <= _d3_strand[1]: + sse[i-1] = "E" + sse[i] = "E" + if d3i[i+1] >= _d3_strand[0] and d3i[i+1] <= 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file mode 100644 index 0000000000000000000000000000000000000000..3d978c60153bd98a09d938b48ef71c88bdebc98a --- /dev/null +++ b/RFdiffusion/outputs/2023-09-13/15-56-27/.hydra/config.yaml @@ -0,0 +1,124 @@ +inference: + input_pdb: null + num_designs: 10 + design_startnum: 0 + ckpt_override_path: null + symmetry: null + recenter: true + radius: 10.0 + model_only_neighbors: false + output_prefix: samples/design + write_trajectory: true + scaffold_guided: false + model_runner: SelfConditioning + cautious: true + align_motif: true + symmetric_self_cond: true + final_step: 1 + deterministic: false + trb_save_ckpt_path: null + schedule_directory_path: null + model_directory_path: null +contigmap: + contigs: null + inpaint_seq: null + provide_seq: null + length: null +model: + n_extra_block: 4 + n_main_block: 32 + n_ref_block: 4 + d_msa: 256 + d_msa_full: 64 + d_pair: 128 + d_templ: 64 + n_head_msa: 8 + n_head_pair: 4 + n_head_templ: 4 + d_hidden: 32 + d_hidden_templ: 32 + p_drop: 0.15 + SE3_param_full: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 8 + l0_out_features: 8 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 32 + SE3_param_topk: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 64 + l0_out_features: 64 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 64 + freeze_track_motif: false + use_motif_timestep: false +diffuser: + T: 50 + b_0: 0.01 + b_T: 0.07 + schedule_type: linear + so3_type: igso3 + crd_scale: 0.25 + partial_T: null + so3_schedule_type: linear + min_b: 1.5 + max_b: 2.5 + min_sigma: 0.02 + max_sigma: 1.5 +denoiser: + noise_scale_ca: 1 + final_noise_scale_ca: 1 + ca_noise_schedule_type: constant + noise_scale_frame: 1 + final_noise_scale_frame: 1 + frame_noise_schedule_type: constant +ppi: + hotspot_res: null +potentials: + guiding_potentials: null + guide_scale: 10 + guide_decay: constant + olig_inter_all: null + olig_intra_all: null + olig_custom_contact: null + substrate: null +contig_settings: + ref_idx: null + hal_idx: null + idx_rf: null + inpaint_seq_tensor: null +preprocess: + sidechain_input: false + motif_sidechain_input: true + d_t1d: 22 + d_t2d: 44 + prob_self_cond: 0.0 + str_self_cond: false + predict_previous: false +logging: + inputs: false +scaffoldguided: + scaffoldguided: false + target_pdb: false + target_path: null + scaffold_list: null + scaffold_dir: null + sampled_insertion: 0 + sampled_N: 0 + sampled_C: 0 + ss_mask: 0 + systematic: false + target_ss: null + target_adj: null + mask_loops: true + contig_crop: null diff --git a/RFdiffusion/outputs/2023-09-13/15-56-27/.hydra/hydra.yaml b/RFdiffusion/outputs/2023-09-13/15-56-27/.hydra/hydra.yaml new file mode 100644 index 0000000000000000000000000000000000000000..81849aa5c39fb69acafbf93c9451e59cc5afd2b8 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-13/15-56-27/.hydra/hydra.yaml @@ -0,0 +1,154 @@ +hydra: + run: + dir: outputs/${now:%Y-%m-%d}/${now:%H-%M-%S} + sweep: + dir: multirun/${now:%Y-%m-%d}/${now:%H-%M-%S} + subdir: ${hydra.job.num} + launcher: + _target_: hydra._internal.core_plugins.basic_launcher.BasicLauncher + sweeper: + _target_: hydra._internal.core_plugins.basic_sweeper.BasicSweeper + max_batch_size: null + params: null + help: + app_name: ${hydra.job.name} + header: '${hydra.help.app_name} is powered by Hydra. + + ' + footer: 'Powered by Hydra (https://hydra.cc) + + Use --hydra-help to view Hydra specific help + + ' + template: '${hydra.help.header} + + == Configuration groups == + + Compose your configuration from those groups (group=option) + + + $APP_CONFIG_GROUPS + + + == Config == + + Override anything in the config (foo.bar=value) + + + $CONFIG + + + ${hydra.help.footer} + + ' + hydra_help: + template: 'Hydra (${hydra.runtime.version}) + + See https://hydra.cc for more info. + + + == Flags == + + $FLAGS_HELP + + + == Configuration groups == + + Compose your configuration from those groups (For example, append hydra/job_logging=disabled + to command line) + + + $HYDRA_CONFIG_GROUPS + + + Use ''--cfg hydra'' to Show the Hydra config. + + ' + hydra_help: ??? + hydra_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][HYDRA] %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + root: + level: INFO + handlers: + - console + loggers: + logging_example: + level: DEBUG + disable_existing_loggers: false + job_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][%(name)s][%(levelname)s] - %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + file: + class: logging.FileHandler + formatter: simple + filename: ${hydra.runtime.output_dir}/${hydra.job.name}.log + root: + level: INFO + handlers: + - console + - file + disable_existing_loggers: false + env: {} + mode: RUN + searchpath: [] + callbacks: {} + output_subdir: .hydra + overrides: + hydra: + - hydra.mode=RUN + task: [] + job: + name: run_inference + chdir: null + override_dirname: '' + id: ??? + num: ??? + config_name: base + env_set: {} + env_copy: [] + config: + override_dirname: + kv_sep: '=' + item_sep: ',' + exclude_keys: [] + runtime: + version: 1.3.2 + version_base: '1.3' + cwd: C:\Users\adminisiterlator\RFdiffusion + config_sources: + - path: hydra.conf + schema: pkg + provider: hydra + - path: C:\Users\adminisiterlator\config\inference + schema: file + provider: main + - path: '' + schema: structured + provider: schema + output_dir: C:\Users\adminisiterlator\RFdiffusion\outputs\2023-09-13\15-56-27 + choices: + hydra/env: default + hydra/callbacks: null + hydra/job_logging: default + hydra/hydra_logging: default + hydra/hydra_help: default + hydra/help: default + hydra/sweeper: basic + hydra/launcher: basic + hydra/output: default + verbose: false diff --git a/RFdiffusion/outputs/2023-09-13/15-56-27/.hydra/overrides.yaml b/RFdiffusion/outputs/2023-09-13/15-56-27/.hydra/overrides.yaml new file mode 100644 index 0000000000000000000000000000000000000000..fe51488c7066f6687ef680d6bfaa4f7768ef205c --- /dev/null +++ b/RFdiffusion/outputs/2023-09-13/15-56-27/.hydra/overrides.yaml @@ -0,0 +1 @@ +[] diff --git a/RFdiffusion/outputs/2023-09-13/15-56-27/run_inference.log b/RFdiffusion/outputs/2023-09-13/15-56-27/run_inference.log new file mode 100644 index 0000000000000000000000000000000000000000..384b98590b606791dd39c23169a50540a01c2691 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-13/15-56-27/run_inference.log @@ -0,0 +1,4 @@ +[2023-09-13 15:56:27,915][__main__][INFO] - //////////////////////////////////////////////// +[2023-09-13 15:56:27,915][__main__][INFO] - ///// NO GPU DETECTED! Falling back to CPU ///// +[2023-09-13 15:56:27,916][__main__][INFO] - //////////////////////////////////////////////// +[2023-09-13 15:56:27,917][rfdiffusion.inference.model_runners][INFO] - Reading checkpoint from C:\Users\adminisiterlator\RFdiffusion\rfdiffusion\inference/../../models/Base_ckpt.pt diff --git a/RFdiffusion/outputs/2023-09-13/17-09-53/.hydra/config.yaml b/RFdiffusion/outputs/2023-09-13/17-09-53/.hydra/config.yaml new file mode 100644 index 0000000000000000000000000000000000000000..3d978c60153bd98a09d938b48ef71c88bdebc98a --- /dev/null +++ b/RFdiffusion/outputs/2023-09-13/17-09-53/.hydra/config.yaml @@ -0,0 +1,124 @@ +inference: + input_pdb: null + num_designs: 10 + design_startnum: 0 + ckpt_override_path: null + symmetry: null + recenter: true + radius: 10.0 + model_only_neighbors: false + output_prefix: samples/design + write_trajectory: true + scaffold_guided: false + model_runner: SelfConditioning + cautious: true + align_motif: true + symmetric_self_cond: true + final_step: 1 + deterministic: false + trb_save_ckpt_path: null + schedule_directory_path: null + model_directory_path: null +contigmap: + contigs: null + inpaint_seq: null + provide_seq: null + length: null +model: + n_extra_block: 4 + n_main_block: 32 + n_ref_block: 4 + d_msa: 256 + d_msa_full: 64 + d_pair: 128 + d_templ: 64 + n_head_msa: 8 + n_head_pair: 4 + n_head_templ: 4 + d_hidden: 32 + d_hidden_templ: 32 + p_drop: 0.15 + SE3_param_full: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 8 + l0_out_features: 8 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 32 + SE3_param_topk: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 64 + l0_out_features: 64 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 64 + freeze_track_motif: false + use_motif_timestep: false +diffuser: + T: 50 + b_0: 0.01 + b_T: 0.07 + schedule_type: linear + so3_type: igso3 + crd_scale: 0.25 + partial_T: null + so3_schedule_type: linear + min_b: 1.5 + max_b: 2.5 + min_sigma: 0.02 + max_sigma: 1.5 +denoiser: + noise_scale_ca: 1 + final_noise_scale_ca: 1 + ca_noise_schedule_type: constant + noise_scale_frame: 1 + final_noise_scale_frame: 1 + frame_noise_schedule_type: constant +ppi: + hotspot_res: null +potentials: + guiding_potentials: null + guide_scale: 10 + guide_decay: constant + olig_inter_all: null + olig_intra_all: null + olig_custom_contact: null + substrate: null +contig_settings: + ref_idx: null + hal_idx: null + idx_rf: null + inpaint_seq_tensor: null +preprocess: + sidechain_input: false + motif_sidechain_input: true + d_t1d: 22 + d_t2d: 44 + prob_self_cond: 0.0 + str_self_cond: false + predict_previous: false +logging: + inputs: false +scaffoldguided: + scaffoldguided: false + target_pdb: false + target_path: null + scaffold_list: null + scaffold_dir: null + sampled_insertion: 0 + sampled_N: 0 + sampled_C: 0 + ss_mask: 0 + systematic: false + target_ss: null + target_adj: null + mask_loops: true + contig_crop: null diff --git a/RFdiffusion/outputs/2023-09-13/17-09-53/.hydra/hydra.yaml b/RFdiffusion/outputs/2023-09-13/17-09-53/.hydra/hydra.yaml new file mode 100644 index 0000000000000000000000000000000000000000..b22bb279f8ac107da9bfb068cbd2d64177f36c63 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-13/17-09-53/.hydra/hydra.yaml @@ -0,0 +1,154 @@ +hydra: + run: + dir: outputs/${now:%Y-%m-%d}/${now:%H-%M-%S} + sweep: + dir: multirun/${now:%Y-%m-%d}/${now:%H-%M-%S} + subdir: ${hydra.job.num} + launcher: + _target_: hydra._internal.core_plugins.basic_launcher.BasicLauncher + sweeper: + _target_: hydra._internal.core_plugins.basic_sweeper.BasicSweeper + max_batch_size: null + params: null + help: + app_name: ${hydra.job.name} + header: '${hydra.help.app_name} is powered by Hydra. + + ' + footer: 'Powered by Hydra (https://hydra.cc) + + Use --hydra-help to view Hydra specific help + + ' + template: '${hydra.help.header} + + == Configuration groups == + + Compose your configuration from those groups (group=option) + + + $APP_CONFIG_GROUPS + + + == Config == + + Override anything in the config (foo.bar=value) + + + $CONFIG + + + ${hydra.help.footer} + + ' + hydra_help: + template: 'Hydra (${hydra.runtime.version}) + + See https://hydra.cc for more info. + + + == Flags == + + $FLAGS_HELP + + + == Configuration groups == + + Compose your configuration from those groups (For example, append hydra/job_logging=disabled + to command line) + + + $HYDRA_CONFIG_GROUPS + + + Use ''--cfg hydra'' to Show the Hydra config. + + ' + hydra_help: ??? + hydra_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][HYDRA] %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + root: + level: INFO + handlers: + - console + loggers: + logging_example: + level: DEBUG + disable_existing_loggers: false + job_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][%(name)s][%(levelname)s] - %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + file: + class: logging.FileHandler + formatter: simple + filename: ${hydra.runtime.output_dir}/${hydra.job.name}.log + root: + level: INFO + handlers: + - console + - file + disable_existing_loggers: false + env: {} + mode: RUN + searchpath: [] + callbacks: {} + output_subdir: .hydra + overrides: + hydra: + - hydra.mode=RUN + task: [] + job: + name: run_inference + chdir: null + override_dirname: '' + id: ??? + num: ??? + config_name: base + env_set: {} + env_copy: [] + config: + override_dirname: + kv_sep: '=' + item_sep: ',' + exclude_keys: [] + runtime: + version: 1.3.2 + version_base: '1.3' + cwd: C:\Users\adminisiterlator\RFdiffusion + config_sources: + - path: hydra.conf + schema: pkg + provider: hydra + - path: C:\Users\adminisiterlator\config\inference + schema: file + provider: main + - path: '' + schema: structured + provider: schema + output_dir: C:\Users\adminisiterlator\RFdiffusion\outputs\2023-09-13\17-09-53 + choices: + hydra/env: default + hydra/callbacks: null + hydra/job_logging: default + hydra/hydra_logging: default + hydra/hydra_help: default + hydra/help: default + hydra/sweeper: basic + hydra/launcher: basic + hydra/output: default + verbose: false diff --git a/RFdiffusion/outputs/2023-09-13/17-09-53/.hydra/overrides.yaml b/RFdiffusion/outputs/2023-09-13/17-09-53/.hydra/overrides.yaml new file mode 100644 index 0000000000000000000000000000000000000000..fe51488c7066f6687ef680d6bfaa4f7768ef205c --- /dev/null +++ b/RFdiffusion/outputs/2023-09-13/17-09-53/.hydra/overrides.yaml @@ -0,0 +1 @@ +[] diff --git a/RFdiffusion/outputs/2023-09-13/17-09-53/run_inference.log b/RFdiffusion/outputs/2023-09-13/17-09-53/run_inference.log new file mode 100644 index 0000000000000000000000000000000000000000..986dac5616265564518ea1cf98eb95b219b2ef31 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-13/17-09-53/run_inference.log @@ -0,0 +1,4 @@ +[2023-09-13 17:09:53,491][__main__][INFO] - //////////////////////////////////////////////// +[2023-09-13 17:09:53,492][__main__][INFO] - ///// NO GPU DETECTED! Falling back to CPU ///// +[2023-09-13 17:09:53,492][__main__][INFO] - //////////////////////////////////////////////// +[2023-09-13 17:09:53,493][rfdiffusion.inference.model_runners][INFO] - Reading checkpoint from C:\Users\adminisiterlator\RFdiffusion\rfdiffusion\inference/../../models/Base_ckpt.pt diff --git a/RFdiffusion/outputs/2023-09-13/17-13-12/.hydra/config.yaml b/RFdiffusion/outputs/2023-09-13/17-13-12/.hydra/config.yaml new file mode 100644 index 0000000000000000000000000000000000000000..3d978c60153bd98a09d938b48ef71c88bdebc98a --- /dev/null +++ b/RFdiffusion/outputs/2023-09-13/17-13-12/.hydra/config.yaml @@ -0,0 +1,124 @@ +inference: + input_pdb: null + num_designs: 10 + design_startnum: 0 + ckpt_override_path: null + symmetry: null + recenter: true + radius: 10.0 + model_only_neighbors: false + output_prefix: samples/design + write_trajectory: true + scaffold_guided: false + model_runner: SelfConditioning + cautious: true + align_motif: true + symmetric_self_cond: true + final_step: 1 + deterministic: false + trb_save_ckpt_path: null + schedule_directory_path: null + model_directory_path: null +contigmap: + contigs: null + inpaint_seq: null + provide_seq: null + length: null +model: + n_extra_block: 4 + n_main_block: 32 + n_ref_block: 4 + d_msa: 256 + d_msa_full: 64 + d_pair: 128 + d_templ: 64 + n_head_msa: 8 + n_head_pair: 4 + n_head_templ: 4 + d_hidden: 32 + d_hidden_templ: 32 + p_drop: 0.15 + SE3_param_full: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 8 + l0_out_features: 8 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 32 + SE3_param_topk: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 64 + l0_out_features: 64 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 64 + freeze_track_motif: false + use_motif_timestep: false +diffuser: + T: 50 + b_0: 0.01 + b_T: 0.07 + schedule_type: linear + so3_type: igso3 + crd_scale: 0.25 + partial_T: null + so3_schedule_type: linear + min_b: 1.5 + max_b: 2.5 + min_sigma: 0.02 + max_sigma: 1.5 +denoiser: + noise_scale_ca: 1 + final_noise_scale_ca: 1 + ca_noise_schedule_type: constant + noise_scale_frame: 1 + final_noise_scale_frame: 1 + frame_noise_schedule_type: constant +ppi: + hotspot_res: null +potentials: + guiding_potentials: null + guide_scale: 10 + guide_decay: constant + olig_inter_all: null + olig_intra_all: null + olig_custom_contact: null + substrate: null +contig_settings: + ref_idx: null + hal_idx: null + idx_rf: null + inpaint_seq_tensor: null +preprocess: + sidechain_input: false + motif_sidechain_input: true + d_t1d: 22 + d_t2d: 44 + prob_self_cond: 0.0 + str_self_cond: false + predict_previous: false +logging: + inputs: false +scaffoldguided: + scaffoldguided: false + target_pdb: false + target_path: null + scaffold_list: null + scaffold_dir: null + sampled_insertion: 0 + sampled_N: 0 + sampled_C: 0 + ss_mask: 0 + systematic: false + target_ss: null + target_adj: null + mask_loops: true + contig_crop: null diff --git a/RFdiffusion/outputs/2023-09-13/17-13-12/.hydra/hydra.yaml b/RFdiffusion/outputs/2023-09-13/17-13-12/.hydra/hydra.yaml new file mode 100644 index 0000000000000000000000000000000000000000..8eb8f1fca987ad141e27f2d9645ac226cce29a35 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-13/17-13-12/.hydra/hydra.yaml @@ -0,0 +1,154 @@ +hydra: + run: + dir: outputs/${now:%Y-%m-%d}/${now:%H-%M-%S} + sweep: + dir: multirun/${now:%Y-%m-%d}/${now:%H-%M-%S} + subdir: ${hydra.job.num} + launcher: + _target_: hydra._internal.core_plugins.basic_launcher.BasicLauncher + sweeper: + _target_: hydra._internal.core_plugins.basic_sweeper.BasicSweeper + max_batch_size: null + params: null + help: + app_name: ${hydra.job.name} + header: '${hydra.help.app_name} is powered by Hydra. + + ' + footer: 'Powered by Hydra (https://hydra.cc) + + Use --hydra-help to view Hydra specific help + + ' + template: '${hydra.help.header} + + == Configuration groups == + + Compose your configuration from those groups (group=option) + + + $APP_CONFIG_GROUPS + + + == Config == + + Override anything in the config (foo.bar=value) + + + $CONFIG + + + ${hydra.help.footer} + + ' + hydra_help: + template: 'Hydra (${hydra.runtime.version}) + + See https://hydra.cc for more info. + + + == Flags == + + $FLAGS_HELP + + + == Configuration groups == + + Compose your configuration from those groups (For example, append hydra/job_logging=disabled + to command line) + + + $HYDRA_CONFIG_GROUPS + + + Use ''--cfg hydra'' to Show the Hydra config. + + ' + hydra_help: ??? + hydra_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][HYDRA] %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + root: + level: INFO + handlers: + - console + loggers: + logging_example: + level: DEBUG + disable_existing_loggers: false + job_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][%(name)s][%(levelname)s] - %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + file: + class: logging.FileHandler + formatter: simple + filename: ${hydra.runtime.output_dir}/${hydra.job.name}.log + root: + level: INFO + handlers: + - console + - file + disable_existing_loggers: false + env: {} + mode: RUN + searchpath: [] + callbacks: {} + output_subdir: .hydra + overrides: + hydra: + - hydra.mode=RUN + task: [] + job: + name: run_inference + chdir: null + override_dirname: '' + id: ??? + num: ??? + config_name: base + env_set: {} + env_copy: [] + config: + override_dirname: + kv_sep: '=' + item_sep: ',' + exclude_keys: [] + runtime: + version: 1.3.2 + version_base: '1.3' + cwd: C:\Users\adminisiterlator\RFdiffusion + config_sources: + - path: hydra.conf + schema: pkg + provider: hydra + - path: C:\Users\adminisiterlator\config\inference + schema: file + provider: main + - path: '' + schema: structured + provider: schema + output_dir: C:\Users\adminisiterlator\RFdiffusion\outputs\2023-09-13\17-13-12 + choices: + hydra/env: default + hydra/callbacks: null + hydra/job_logging: default + hydra/hydra_logging: default + hydra/hydra_help: default + hydra/help: default + hydra/sweeper: basic + hydra/launcher: basic + hydra/output: default + verbose: false diff --git a/RFdiffusion/outputs/2023-09-13/17-13-12/.hydra/overrides.yaml b/RFdiffusion/outputs/2023-09-13/17-13-12/.hydra/overrides.yaml new file mode 100644 index 0000000000000000000000000000000000000000..fe51488c7066f6687ef680d6bfaa4f7768ef205c --- /dev/null +++ b/RFdiffusion/outputs/2023-09-13/17-13-12/.hydra/overrides.yaml @@ -0,0 +1 @@ +[] diff --git a/RFdiffusion/outputs/2023-09-13/17-13-12/run_inference.log b/RFdiffusion/outputs/2023-09-13/17-13-12/run_inference.log new file mode 100644 index 0000000000000000000000000000000000000000..01eea95a6183e418609c078c0f670eb734ad4205 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-13/17-13-12/run_inference.log @@ -0,0 +1,4 @@ +[2023-09-13 17:13:12,243][__main__][INFO] - //////////////////////////////////////////////// +[2023-09-13 17:13:12,243][__main__][INFO] - ///// NO GPU DETECTED! Falling back to CPU ///// +[2023-09-13 17:13:12,243][__main__][INFO] - //////////////////////////////////////////////// +[2023-09-13 17:13:12,244][rfdiffusion.inference.model_runners][INFO] - Reading checkpoint from C:\Users\adminisiterlator\RFdiffusion\rfdiffusion\inference/../../models/Base_ckpt.pt diff --git a/RFdiffusion/outputs/2023-09-13/17-37-23/.hydra/config.yaml b/RFdiffusion/outputs/2023-09-13/17-37-23/.hydra/config.yaml new file mode 100644 index 0000000000000000000000000000000000000000..3d978c60153bd98a09d938b48ef71c88bdebc98a --- /dev/null +++ b/RFdiffusion/outputs/2023-09-13/17-37-23/.hydra/config.yaml @@ -0,0 +1,124 @@ +inference: + input_pdb: null + num_designs: 10 + design_startnum: 0 + ckpt_override_path: null + symmetry: null + recenter: true + radius: 10.0 + model_only_neighbors: false + output_prefix: samples/design + write_trajectory: true + scaffold_guided: false + model_runner: SelfConditioning + cautious: true + align_motif: true + symmetric_self_cond: true + final_step: 1 + deterministic: false + trb_save_ckpt_path: null + schedule_directory_path: null + model_directory_path: null +contigmap: + contigs: null + inpaint_seq: null + provide_seq: null + length: null +model: + n_extra_block: 4 + n_main_block: 32 + n_ref_block: 4 + d_msa: 256 + d_msa_full: 64 + d_pair: 128 + d_templ: 64 + n_head_msa: 8 + n_head_pair: 4 + n_head_templ: 4 + d_hidden: 32 + d_hidden_templ: 32 + p_drop: 0.15 + SE3_param_full: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 8 + l0_out_features: 8 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 32 + SE3_param_topk: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 64 + l0_out_features: 64 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 64 + freeze_track_motif: false + use_motif_timestep: false +diffuser: + T: 50 + b_0: 0.01 + b_T: 0.07 + schedule_type: linear + so3_type: igso3 + crd_scale: 0.25 + partial_T: null + so3_schedule_type: linear + min_b: 1.5 + max_b: 2.5 + min_sigma: 0.02 + max_sigma: 1.5 +denoiser: + noise_scale_ca: 1 + final_noise_scale_ca: 1 + ca_noise_schedule_type: constant + noise_scale_frame: 1 + final_noise_scale_frame: 1 + frame_noise_schedule_type: constant +ppi: + hotspot_res: null +potentials: + guiding_potentials: null + guide_scale: 10 + guide_decay: constant + olig_inter_all: null + olig_intra_all: null + olig_custom_contact: null + substrate: null +contig_settings: + ref_idx: null + hal_idx: null + idx_rf: null + inpaint_seq_tensor: null +preprocess: + sidechain_input: false + motif_sidechain_input: true + d_t1d: 22 + d_t2d: 44 + prob_self_cond: 0.0 + str_self_cond: false + predict_previous: false +logging: + inputs: false +scaffoldguided: + scaffoldguided: false + target_pdb: false + target_path: null + scaffold_list: null + scaffold_dir: null + sampled_insertion: 0 + sampled_N: 0 + sampled_C: 0 + ss_mask: 0 + systematic: false + target_ss: null + target_adj: null + mask_loops: true + contig_crop: null diff --git a/RFdiffusion/outputs/2023-09-13/17-37-23/.hydra/hydra.yaml b/RFdiffusion/outputs/2023-09-13/17-37-23/.hydra/hydra.yaml new file mode 100644 index 0000000000000000000000000000000000000000..71737593adc9558b8f77e38e29c764364933d8ca --- /dev/null +++ b/RFdiffusion/outputs/2023-09-13/17-37-23/.hydra/hydra.yaml @@ -0,0 +1,154 @@ +hydra: + run: + dir: outputs/${now:%Y-%m-%d}/${now:%H-%M-%S} + sweep: + dir: multirun/${now:%Y-%m-%d}/${now:%H-%M-%S} + subdir: ${hydra.job.num} + launcher: + _target_: hydra._internal.core_plugins.basic_launcher.BasicLauncher + sweeper: + _target_: hydra._internal.core_plugins.basic_sweeper.BasicSweeper + max_batch_size: null + params: null + help: + app_name: ${hydra.job.name} + header: '${hydra.help.app_name} is powered by Hydra. + + ' + footer: 'Powered by Hydra (https://hydra.cc) + + Use --hydra-help to view Hydra specific help + + ' + template: '${hydra.help.header} + + == Configuration groups == + + Compose your configuration from those groups (group=option) + + + $APP_CONFIG_GROUPS + + + == Config == + + Override anything in the config (foo.bar=value) + + + $CONFIG + + + ${hydra.help.footer} + + ' + hydra_help: + template: 'Hydra (${hydra.runtime.version}) + + See https://hydra.cc for more info. + + + == Flags == + + $FLAGS_HELP + + + == Configuration groups == + + Compose your configuration from those groups (For example, append hydra/job_logging=disabled + to command line) + + + $HYDRA_CONFIG_GROUPS + + + Use ''--cfg hydra'' to Show the Hydra config. + + ' + hydra_help: ??? + hydra_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][HYDRA] %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + root: + level: INFO + handlers: + - console + loggers: + logging_example: + level: DEBUG + disable_existing_loggers: false + job_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][%(name)s][%(levelname)s] - %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + file: + class: logging.FileHandler + formatter: simple + filename: ${hydra.runtime.output_dir}/${hydra.job.name}.log + root: + level: INFO + handlers: + - console + - file + disable_existing_loggers: false + env: {} + mode: RUN + searchpath: [] + callbacks: {} + output_subdir: .hydra + overrides: + hydra: + - hydra.mode=RUN + task: [] + job: + name: run_inference + chdir: null + override_dirname: '' + id: ??? + num: ??? + config_name: base + env_set: {} + env_copy: [] + config: + override_dirname: + kv_sep: '=' + item_sep: ',' + exclude_keys: [] + runtime: + version: 1.3.2 + version_base: '1.3' + cwd: C:\Users\adminisiterlator\RFdiffusion + config_sources: + - path: hydra.conf + schema: pkg + provider: hydra + - path: C:\Users\adminisiterlator\config\inference + schema: file + provider: main + - path: '' + schema: structured + provider: schema + output_dir: C:\Users\adminisiterlator\RFdiffusion\outputs\2023-09-13\17-37-23 + choices: + hydra/env: default + hydra/callbacks: null + hydra/job_logging: default + hydra/hydra_logging: default + hydra/hydra_help: default + hydra/help: default + hydra/sweeper: basic + hydra/launcher: basic + hydra/output: default + verbose: false diff --git a/RFdiffusion/outputs/2023-09-13/17-37-23/.hydra/overrides.yaml b/RFdiffusion/outputs/2023-09-13/17-37-23/.hydra/overrides.yaml new file mode 100644 index 0000000000000000000000000000000000000000..fe51488c7066f6687ef680d6bfaa4f7768ef205c --- /dev/null +++ b/RFdiffusion/outputs/2023-09-13/17-37-23/.hydra/overrides.yaml @@ -0,0 +1 @@ +[] diff --git a/RFdiffusion/outputs/2023-09-13/17-37-23/run_inference.log b/RFdiffusion/outputs/2023-09-13/17-37-23/run_inference.log new file mode 100644 index 0000000000000000000000000000000000000000..dd6c81b8c26a841ac54f9bd8d65113b24d3b40dd --- /dev/null +++ b/RFdiffusion/outputs/2023-09-13/17-37-23/run_inference.log @@ -0,0 +1,4 @@ +[2023-09-13 17:37:23,962][__main__][INFO] - //////////////////////////////////////////////// +[2023-09-13 17:37:23,962][__main__][INFO] - ///// NO GPU DETECTED! Falling back to CPU ///// +[2023-09-13 17:37:23,966][__main__][INFO] - //////////////////////////////////////////////// +[2023-09-13 17:37:23,968][rfdiffusion.inference.model_runners][INFO] - Reading checkpoint from C:\Users\adminisiterlator\RFdiffusion\rfdiffusion\inference/../../models/Base_ckpt.pt diff --git a/RFdiffusion/outputs/2023-09-13/18-11-41/.hydra/config.yaml b/RFdiffusion/outputs/2023-09-13/18-11-41/.hydra/config.yaml new file mode 100644 index 0000000000000000000000000000000000000000..3d978c60153bd98a09d938b48ef71c88bdebc98a --- /dev/null +++ b/RFdiffusion/outputs/2023-09-13/18-11-41/.hydra/config.yaml @@ -0,0 +1,124 @@ +inference: + input_pdb: null + num_designs: 10 + design_startnum: 0 + ckpt_override_path: null + symmetry: null + recenter: true + radius: 10.0 + model_only_neighbors: false + output_prefix: samples/design + write_trajectory: true + scaffold_guided: false + model_runner: SelfConditioning + cautious: true + align_motif: true + symmetric_self_cond: true + final_step: 1 + deterministic: false + trb_save_ckpt_path: null + schedule_directory_path: null + model_directory_path: null +contigmap: + contigs: null + inpaint_seq: null + provide_seq: null + length: null +model: + n_extra_block: 4 + n_main_block: 32 + n_ref_block: 4 + d_msa: 256 + d_msa_full: 64 + d_pair: 128 + d_templ: 64 + n_head_msa: 8 + n_head_pair: 4 + n_head_templ: 4 + d_hidden: 32 + d_hidden_templ: 32 + p_drop: 0.15 + SE3_param_full: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 8 + l0_out_features: 8 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 32 + SE3_param_topk: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 64 + l0_out_features: 64 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 64 + freeze_track_motif: false + use_motif_timestep: false +diffuser: + T: 50 + b_0: 0.01 + b_T: 0.07 + schedule_type: linear + so3_type: igso3 + crd_scale: 0.25 + partial_T: null + so3_schedule_type: linear + min_b: 1.5 + max_b: 2.5 + min_sigma: 0.02 + max_sigma: 1.5 +denoiser: + noise_scale_ca: 1 + final_noise_scale_ca: 1 + ca_noise_schedule_type: constant + noise_scale_frame: 1 + final_noise_scale_frame: 1 + frame_noise_schedule_type: constant +ppi: + hotspot_res: null +potentials: + guiding_potentials: null + guide_scale: 10 + guide_decay: constant + olig_inter_all: null + olig_intra_all: null + olig_custom_contact: null + substrate: null +contig_settings: + ref_idx: null + hal_idx: null + idx_rf: null + inpaint_seq_tensor: null +preprocess: + sidechain_input: false + motif_sidechain_input: true + d_t1d: 22 + d_t2d: 44 + prob_self_cond: 0.0 + str_self_cond: false + predict_previous: false +logging: + inputs: false +scaffoldguided: + scaffoldguided: false + target_pdb: false + target_path: null + scaffold_list: null + scaffold_dir: null + sampled_insertion: 0 + sampled_N: 0 + sampled_C: 0 + ss_mask: 0 + systematic: false + target_ss: null + target_adj: null + mask_loops: true + contig_crop: null diff --git a/RFdiffusion/outputs/2023-09-13/18-11-41/.hydra/hydra.yaml b/RFdiffusion/outputs/2023-09-13/18-11-41/.hydra/hydra.yaml new file mode 100644 index 0000000000000000000000000000000000000000..2ec495c68f1f91d1cb61c2ace9975ea92ef1bd58 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-13/18-11-41/.hydra/hydra.yaml @@ -0,0 +1,154 @@ +hydra: + run: + dir: outputs/${now:%Y-%m-%d}/${now:%H-%M-%S} + sweep: + dir: multirun/${now:%Y-%m-%d}/${now:%H-%M-%S} + subdir: ${hydra.job.num} + launcher: + _target_: hydra._internal.core_plugins.basic_launcher.BasicLauncher + sweeper: + _target_: hydra._internal.core_plugins.basic_sweeper.BasicSweeper + max_batch_size: null + params: null + help: + app_name: ${hydra.job.name} + header: '${hydra.help.app_name} is powered by Hydra. + + ' + footer: 'Powered by Hydra (https://hydra.cc) + + Use --hydra-help to view Hydra specific help + + ' + template: '${hydra.help.header} + + == Configuration groups == + + Compose your configuration from those groups (group=option) + + + $APP_CONFIG_GROUPS + + + == Config == + + Override anything in the config (foo.bar=value) + + + $CONFIG + + + ${hydra.help.footer} + + ' + hydra_help: + template: 'Hydra (${hydra.runtime.version}) + + See https://hydra.cc for more info. + + + == Flags == + + $FLAGS_HELP + + + == Configuration groups == + + Compose your configuration from those groups (For example, append hydra/job_logging=disabled + to command line) + + + $HYDRA_CONFIG_GROUPS + + + Use ''--cfg hydra'' to Show the Hydra config. + + ' + hydra_help: ??? + hydra_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][HYDRA] %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + root: + level: INFO + handlers: + - console + loggers: + logging_example: + level: DEBUG + disable_existing_loggers: false + job_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][%(name)s][%(levelname)s] - %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + file: + class: logging.FileHandler + formatter: simple + filename: ${hydra.runtime.output_dir}/${hydra.job.name}.log + root: + level: INFO + handlers: + - console + - file + disable_existing_loggers: false + env: {} + mode: RUN + searchpath: [] + callbacks: {} + output_subdir: .hydra + overrides: + hydra: + - hydra.mode=RUN + task: [] + job: + name: run_inference + chdir: null + override_dirname: '' + id: ??? + num: ??? + config_name: base + env_set: {} + env_copy: [] + config: + override_dirname: + kv_sep: '=' + item_sep: ',' + exclude_keys: [] + runtime: + version: 1.3.2 + version_base: '1.3' + cwd: C:\Users\adminisiterlator\RFdiffusion + config_sources: + - path: hydra.conf + schema: pkg + provider: hydra + - path: C:\Users\adminisiterlator\config\inference + schema: file + provider: main + - path: '' + schema: structured + provider: schema + output_dir: C:\Users\adminisiterlator\RFdiffusion\outputs\2023-09-13\18-11-41 + choices: + hydra/env: default + hydra/callbacks: null + hydra/job_logging: default + hydra/hydra_logging: default + hydra/hydra_help: default + hydra/help: default + hydra/sweeper: basic + hydra/launcher: basic + hydra/output: default + verbose: false diff --git a/RFdiffusion/outputs/2023-09-13/18-11-41/.hydra/overrides.yaml b/RFdiffusion/outputs/2023-09-13/18-11-41/.hydra/overrides.yaml new file mode 100644 index 0000000000000000000000000000000000000000..fe51488c7066f6687ef680d6bfaa4f7768ef205c --- /dev/null +++ b/RFdiffusion/outputs/2023-09-13/18-11-41/.hydra/overrides.yaml @@ -0,0 +1 @@ +[] diff --git a/RFdiffusion/outputs/2023-09-13/18-11-41/run_inference.log b/RFdiffusion/outputs/2023-09-13/18-11-41/run_inference.log new file mode 100644 index 0000000000000000000000000000000000000000..5534b32e82e42ea4f7d2321696d4f6c385ad4f5b --- /dev/null +++ b/RFdiffusion/outputs/2023-09-13/18-11-41/run_inference.log @@ -0,0 +1,8 @@ +[2023-09-13 18:11:41,174][__main__][INFO] - //////////////////////////////////////////////// +[2023-09-13 18:11:41,174][__main__][INFO] - ///// NO GPU DETECTED! Falling back to CPU ///// +[2023-09-13 18:11:41,175][__main__][INFO] - //////////////////////////////////////////////// +[2023-09-13 18:11:41,176][rfdiffusion.inference.model_runners][INFO] - Reading checkpoint from C:\Users\adminisiterlator\RFdiffusion\rfdiffusion\inference/../../models/Base_ckpt.pt +[2023-09-13 18:11:47,949][rfdiffusion.inference.model_runners][INFO] - Loading checkpoint. +[2023-09-13 18:11:49,219][rfdiffusion.diffusion][INFO] - Calculating IGSO3. +[2023-09-13 18:12:51,154][__main__][INFO] - Making design samples/design_0 +[2023-09-13 18:12:51,167][rfdiffusion.inference.model_runners][INFO] - Using contig: None diff --git a/RFdiffusion/outputs/2023-09-13/18-22-52/.hydra/config.yaml b/RFdiffusion/outputs/2023-09-13/18-22-52/.hydra/config.yaml new file mode 100644 index 0000000000000000000000000000000000000000..3d978c60153bd98a09d938b48ef71c88bdebc98a --- /dev/null +++ b/RFdiffusion/outputs/2023-09-13/18-22-52/.hydra/config.yaml @@ -0,0 +1,124 @@ +inference: + input_pdb: null + num_designs: 10 + design_startnum: 0 + ckpt_override_path: null + symmetry: null + recenter: true + radius: 10.0 + model_only_neighbors: false + output_prefix: samples/design + write_trajectory: true + scaffold_guided: false + model_runner: SelfConditioning + cautious: true + align_motif: true + symmetric_self_cond: true + final_step: 1 + deterministic: false + trb_save_ckpt_path: null + schedule_directory_path: null + model_directory_path: null +contigmap: + contigs: null + inpaint_seq: null + provide_seq: null + length: null +model: + n_extra_block: 4 + n_main_block: 32 + n_ref_block: 4 + d_msa: 256 + d_msa_full: 64 + d_pair: 128 + d_templ: 64 + n_head_msa: 8 + n_head_pair: 4 + n_head_templ: 4 + d_hidden: 32 + d_hidden_templ: 32 + p_drop: 0.15 + SE3_param_full: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 8 + l0_out_features: 8 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 32 + SE3_param_topk: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 64 + l0_out_features: 64 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 64 + freeze_track_motif: false + use_motif_timestep: false +diffuser: + T: 50 + b_0: 0.01 + b_T: 0.07 + schedule_type: linear + so3_type: igso3 + crd_scale: 0.25 + partial_T: null + so3_schedule_type: linear + min_b: 1.5 + max_b: 2.5 + min_sigma: 0.02 + max_sigma: 1.5 +denoiser: + noise_scale_ca: 1 + final_noise_scale_ca: 1 + ca_noise_schedule_type: constant + noise_scale_frame: 1 + final_noise_scale_frame: 1 + frame_noise_schedule_type: constant +ppi: + hotspot_res: null +potentials: + guiding_potentials: null + guide_scale: 10 + guide_decay: constant + olig_inter_all: null + olig_intra_all: null + olig_custom_contact: null + substrate: null +contig_settings: + ref_idx: null + hal_idx: null + idx_rf: null + inpaint_seq_tensor: null +preprocess: + sidechain_input: false + motif_sidechain_input: true + d_t1d: 22 + d_t2d: 44 + prob_self_cond: 0.0 + str_self_cond: false + predict_previous: false +logging: + inputs: false +scaffoldguided: + scaffoldguided: false + target_pdb: false + target_path: null + scaffold_list: null + scaffold_dir: null + sampled_insertion: 0 + sampled_N: 0 + sampled_C: 0 + ss_mask: 0 + systematic: false + target_ss: null + target_adj: null + mask_loops: true + contig_crop: null diff --git a/RFdiffusion/outputs/2023-09-13/18-22-52/.hydra/hydra.yaml b/RFdiffusion/outputs/2023-09-13/18-22-52/.hydra/hydra.yaml new file mode 100644 index 0000000000000000000000000000000000000000..cde4728767781ae85b30e381bd5f96cbecf1d6bc --- /dev/null +++ b/RFdiffusion/outputs/2023-09-13/18-22-52/.hydra/hydra.yaml @@ -0,0 +1,154 @@ +hydra: + run: + dir: outputs/${now:%Y-%m-%d}/${now:%H-%M-%S} + sweep: + dir: multirun/${now:%Y-%m-%d}/${now:%H-%M-%S} + subdir: ${hydra.job.num} + launcher: + _target_: hydra._internal.core_plugins.basic_launcher.BasicLauncher + sweeper: + _target_: hydra._internal.core_plugins.basic_sweeper.BasicSweeper + max_batch_size: null + params: null + help: + app_name: ${hydra.job.name} + header: '${hydra.help.app_name} is powered by Hydra. + + ' + footer: 'Powered by Hydra (https://hydra.cc) + + Use --hydra-help to view Hydra specific help + + ' + template: '${hydra.help.header} + + == Configuration groups == + + Compose your configuration from those groups (group=option) + + + $APP_CONFIG_GROUPS + + + == Config == + + Override anything in the config (foo.bar=value) + + + $CONFIG + + + ${hydra.help.footer} + + ' + hydra_help: + template: 'Hydra (${hydra.runtime.version}) + + See https://hydra.cc for more info. + + + == Flags == + + $FLAGS_HELP + + + == Configuration groups == + + Compose your configuration from those groups (For example, append hydra/job_logging=disabled + to command line) + + + $HYDRA_CONFIG_GROUPS + + + Use ''--cfg hydra'' to Show the Hydra config. + + ' + hydra_help: ??? + hydra_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][HYDRA] %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + root: + level: INFO + handlers: + - console + loggers: + logging_example: + level: DEBUG + disable_existing_loggers: false + job_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][%(name)s][%(levelname)s] - %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + file: + class: logging.FileHandler + formatter: simple + filename: ${hydra.runtime.output_dir}/${hydra.job.name}.log + root: + level: INFO + handlers: + - console + - file + disable_existing_loggers: false + env: {} + mode: RUN + searchpath: [] + callbacks: {} + output_subdir: .hydra + overrides: + hydra: + - hydra.mode=RUN + task: [] + job: + name: run_inference + chdir: null + override_dirname: '' + id: ??? + num: ??? + config_name: base + env_set: {} + env_copy: [] + config: + override_dirname: + kv_sep: '=' + item_sep: ',' + exclude_keys: [] + runtime: + version: 1.3.2 + version_base: '1.3' + cwd: C:\Users\adminisiterlator\RFdiffusion + config_sources: + - path: hydra.conf + schema: pkg + provider: hydra + - path: C:\Users\adminisiterlator\config\inference + schema: file + provider: main + - path: '' + schema: structured + provider: schema + output_dir: C:\Users\adminisiterlator\RFdiffusion\outputs\2023-09-13\18-22-52 + choices: + hydra/env: default + hydra/callbacks: null + hydra/job_logging: default + hydra/hydra_logging: default + hydra/hydra_help: default + hydra/help: default + hydra/sweeper: basic + hydra/launcher: basic + hydra/output: default + verbose: false diff --git a/RFdiffusion/outputs/2023-09-13/18-22-52/.hydra/overrides.yaml b/RFdiffusion/outputs/2023-09-13/18-22-52/.hydra/overrides.yaml new file mode 100644 index 0000000000000000000000000000000000000000..fe51488c7066f6687ef680d6bfaa4f7768ef205c --- /dev/null +++ b/RFdiffusion/outputs/2023-09-13/18-22-52/.hydra/overrides.yaml @@ -0,0 +1 @@ +[] diff --git a/RFdiffusion/outputs/2023-09-13/18-22-52/run_inference.log b/RFdiffusion/outputs/2023-09-13/18-22-52/run_inference.log new file mode 100644 index 0000000000000000000000000000000000000000..d70ff409a8fd32ff9e2c414f70245f112d47aeac --- /dev/null +++ b/RFdiffusion/outputs/2023-09-13/18-22-52/run_inference.log @@ -0,0 +1,8 @@ +[2023-09-13 18:22:52,236][__main__][INFO] - //////////////////////////////////////////////// +[2023-09-13 18:22:52,236][__main__][INFO] - ///// NO GPU DETECTED! Falling back to CPU ///// +[2023-09-13 18:22:52,237][__main__][INFO] - //////////////////////////////////////////////// +[2023-09-13 18:22:52,239][rfdiffusion.inference.model_runners][INFO] - Reading checkpoint from C:\Users\adminisiterlator\RFdiffusion\rfdiffusion\inference/../../models/Base_ckpt.pt +[2023-09-13 18:22:56,124][rfdiffusion.inference.model_runners][INFO] - Loading checkpoint. +[2023-09-13 18:22:56,455][rfdiffusion.diffusion][INFO] - Using cached IGSO3. +[2023-09-13 18:22:56,480][__main__][INFO] - Making design samples/design_0 +[2023-09-13 18:22:56,492][rfdiffusion.inference.model_runners][INFO] - Using contig: None diff --git a/RFdiffusion/outputs/2023-09-13/18-24-14/.hydra/config.yaml b/RFdiffusion/outputs/2023-09-13/18-24-14/.hydra/config.yaml new file mode 100644 index 0000000000000000000000000000000000000000..3d978c60153bd98a09d938b48ef71c88bdebc98a --- /dev/null +++ b/RFdiffusion/outputs/2023-09-13/18-24-14/.hydra/config.yaml @@ -0,0 +1,124 @@ +inference: + input_pdb: null + num_designs: 10 + design_startnum: 0 + ckpt_override_path: null + symmetry: null + recenter: true + radius: 10.0 + model_only_neighbors: false + output_prefix: samples/design + write_trajectory: true + scaffold_guided: false + model_runner: SelfConditioning + cautious: true + align_motif: true + symmetric_self_cond: true + final_step: 1 + deterministic: false + trb_save_ckpt_path: null + schedule_directory_path: null + model_directory_path: null +contigmap: + contigs: null + inpaint_seq: null + provide_seq: null + length: null +model: + n_extra_block: 4 + n_main_block: 32 + n_ref_block: 4 + d_msa: 256 + d_msa_full: 64 + d_pair: 128 + d_templ: 64 + n_head_msa: 8 + n_head_pair: 4 + n_head_templ: 4 + d_hidden: 32 + d_hidden_templ: 32 + p_drop: 0.15 + SE3_param_full: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 8 + l0_out_features: 8 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 32 + SE3_param_topk: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 64 + l0_out_features: 64 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 64 + freeze_track_motif: false + use_motif_timestep: false +diffuser: + T: 50 + b_0: 0.01 + b_T: 0.07 + schedule_type: linear + so3_type: igso3 + crd_scale: 0.25 + partial_T: null + so3_schedule_type: linear + min_b: 1.5 + max_b: 2.5 + min_sigma: 0.02 + max_sigma: 1.5 +denoiser: + noise_scale_ca: 1 + final_noise_scale_ca: 1 + ca_noise_schedule_type: constant + noise_scale_frame: 1 + final_noise_scale_frame: 1 + frame_noise_schedule_type: constant +ppi: + hotspot_res: null +potentials: + guiding_potentials: null + guide_scale: 10 + guide_decay: constant + olig_inter_all: null + olig_intra_all: null + olig_custom_contact: null + substrate: null +contig_settings: + ref_idx: null + hal_idx: null + idx_rf: null + inpaint_seq_tensor: null +preprocess: + sidechain_input: false + motif_sidechain_input: true + d_t1d: 22 + d_t2d: 44 + prob_self_cond: 0.0 + str_self_cond: false + predict_previous: false +logging: + inputs: false +scaffoldguided: + scaffoldguided: false + target_pdb: false + target_path: null + scaffold_list: null + scaffold_dir: null + sampled_insertion: 0 + sampled_N: 0 + sampled_C: 0 + ss_mask: 0 + systematic: false + target_ss: null + target_adj: null + mask_loops: true + contig_crop: null diff --git a/RFdiffusion/outputs/2023-09-13/18-24-14/.hydra/hydra.yaml b/RFdiffusion/outputs/2023-09-13/18-24-14/.hydra/hydra.yaml new file mode 100644 index 0000000000000000000000000000000000000000..8c1bbfda7b506f6ac3481aedc075ef0f01ec4e7b --- /dev/null +++ b/RFdiffusion/outputs/2023-09-13/18-24-14/.hydra/hydra.yaml @@ -0,0 +1,154 @@ +hydra: + run: + dir: outputs/${now:%Y-%m-%d}/${now:%H-%M-%S} + sweep: + dir: multirun/${now:%Y-%m-%d}/${now:%H-%M-%S} + subdir: ${hydra.job.num} + launcher: + _target_: hydra._internal.core_plugins.basic_launcher.BasicLauncher + sweeper: + _target_: hydra._internal.core_plugins.basic_sweeper.BasicSweeper + max_batch_size: null + params: null + help: + app_name: ${hydra.job.name} + header: '${hydra.help.app_name} is powered by Hydra. + + ' + footer: 'Powered by Hydra (https://hydra.cc) + + Use --hydra-help to view Hydra specific help + + ' + template: '${hydra.help.header} + + == Configuration groups == + + Compose your configuration from those groups (group=option) + + + $APP_CONFIG_GROUPS + + + == Config == + + Override anything in the config (foo.bar=value) + + + $CONFIG + + + ${hydra.help.footer} + + ' + hydra_help: + template: 'Hydra (${hydra.runtime.version}) + + See https://hydra.cc for more info. + + + == Flags == + + $FLAGS_HELP + + + == Configuration groups == + + Compose your configuration from those groups (For example, append hydra/job_logging=disabled + to command line) + + + $HYDRA_CONFIG_GROUPS + + + Use ''--cfg hydra'' to Show the Hydra config. + + ' + hydra_help: ??? + hydra_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][HYDRA] %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + root: + level: INFO + handlers: + - console + loggers: + logging_example: + level: DEBUG + disable_existing_loggers: false + job_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][%(name)s][%(levelname)s] - %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + file: + class: logging.FileHandler + formatter: simple + filename: ${hydra.runtime.output_dir}/${hydra.job.name}.log + root: + level: INFO + handlers: + - console + - file + disable_existing_loggers: false + env: {} + mode: RUN + searchpath: [] + callbacks: {} + output_subdir: .hydra + overrides: + hydra: + - hydra.mode=RUN + task: [] + job: + name: run_inference + chdir: null + override_dirname: '' + id: ??? + num: ??? + config_name: base + env_set: {} + env_copy: [] + config: + override_dirname: + kv_sep: '=' + item_sep: ',' + exclude_keys: [] + runtime: + version: 1.3.2 + version_base: '1.3' + cwd: C:\Users\adminisiterlator\RFdiffusion + config_sources: + - path: hydra.conf + schema: pkg + provider: hydra + - path: C:\Users\adminisiterlator\config\inference + schema: file + provider: main + - path: '' + schema: structured + provider: schema + output_dir: C:\Users\adminisiterlator\RFdiffusion\outputs\2023-09-13\18-24-14 + choices: + hydra/env: default + hydra/callbacks: null + hydra/job_logging: default + hydra/hydra_logging: default + hydra/hydra_help: default + hydra/help: default + hydra/sweeper: basic + hydra/launcher: basic + hydra/output: default + verbose: false diff --git a/RFdiffusion/outputs/2023-09-13/18-24-14/.hydra/overrides.yaml b/RFdiffusion/outputs/2023-09-13/18-24-14/.hydra/overrides.yaml new file mode 100644 index 0000000000000000000000000000000000000000..fe51488c7066f6687ef680d6bfaa4f7768ef205c --- /dev/null +++ b/RFdiffusion/outputs/2023-09-13/18-24-14/.hydra/overrides.yaml @@ -0,0 +1 @@ +[] diff --git a/RFdiffusion/outputs/2023-09-13/18-24-14/run_inference.log b/RFdiffusion/outputs/2023-09-13/18-24-14/run_inference.log new file mode 100644 index 0000000000000000000000000000000000000000..c218df5c920095b8d99f44f1d88aa5dfbdb487c3 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-13/18-24-14/run_inference.log @@ -0,0 +1,8 @@ +[2023-09-13 18:24:14,181][__main__][INFO] - //////////////////////////////////////////////// +[2023-09-13 18:24:14,181][__main__][INFO] - ///// NO GPU DETECTED! Falling back to CPU ///// +[2023-09-13 18:24:14,182][__main__][INFO] - //////////////////////////////////////////////// +[2023-09-13 18:24:14,183][rfdiffusion.inference.model_runners][INFO] - Reading checkpoint from C:\Users\adminisiterlator\RFdiffusion\rfdiffusion\inference/../../models/Base_ckpt.pt +[2023-09-13 18:24:17,764][rfdiffusion.inference.model_runners][INFO] - Loading checkpoint. +[2023-09-13 18:24:18,128][rfdiffusion.diffusion][INFO] - Using cached IGSO3. +[2023-09-13 18:24:18,154][__main__][INFO] - Making design samples/design_0 +[2023-09-13 18:24:18,163][rfdiffusion.inference.model_runners][INFO] - Using contig: None diff --git a/RFdiffusion/outputs/2023-09-13/18-36-56/.hydra/config.yaml b/RFdiffusion/outputs/2023-09-13/18-36-56/.hydra/config.yaml new file mode 100644 index 0000000000000000000000000000000000000000..3d978c60153bd98a09d938b48ef71c88bdebc98a --- /dev/null +++ b/RFdiffusion/outputs/2023-09-13/18-36-56/.hydra/config.yaml @@ -0,0 +1,124 @@ +inference: + input_pdb: null + num_designs: 10 + design_startnum: 0 + ckpt_override_path: null + symmetry: null + recenter: true + radius: 10.0 + model_only_neighbors: false + output_prefix: samples/design + write_trajectory: true + scaffold_guided: false + model_runner: SelfConditioning + cautious: true + align_motif: true + symmetric_self_cond: true + final_step: 1 + deterministic: false + trb_save_ckpt_path: null + schedule_directory_path: null + model_directory_path: null +contigmap: + contigs: null + inpaint_seq: null + provide_seq: null + length: null +model: + n_extra_block: 4 + n_main_block: 32 + n_ref_block: 4 + d_msa: 256 + d_msa_full: 64 + d_pair: 128 + d_templ: 64 + n_head_msa: 8 + n_head_pair: 4 + n_head_templ: 4 + d_hidden: 32 + d_hidden_templ: 32 + p_drop: 0.15 + SE3_param_full: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 8 + l0_out_features: 8 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 32 + SE3_param_topk: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 64 + l0_out_features: 64 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 64 + freeze_track_motif: false + use_motif_timestep: false +diffuser: + T: 50 + b_0: 0.01 + b_T: 0.07 + schedule_type: linear + so3_type: igso3 + crd_scale: 0.25 + partial_T: null + so3_schedule_type: linear + min_b: 1.5 + max_b: 2.5 + min_sigma: 0.02 + max_sigma: 1.5 +denoiser: + noise_scale_ca: 1 + final_noise_scale_ca: 1 + ca_noise_schedule_type: constant + noise_scale_frame: 1 + final_noise_scale_frame: 1 + frame_noise_schedule_type: constant +ppi: + hotspot_res: null +potentials: + guiding_potentials: null + guide_scale: 10 + guide_decay: constant + olig_inter_all: null + olig_intra_all: null + olig_custom_contact: null + substrate: null +contig_settings: + ref_idx: null + hal_idx: null + idx_rf: null + inpaint_seq_tensor: null +preprocess: + sidechain_input: false + motif_sidechain_input: true + d_t1d: 22 + d_t2d: 44 + prob_self_cond: 0.0 + str_self_cond: false + predict_previous: false +logging: + inputs: false +scaffoldguided: + scaffoldguided: false + target_pdb: false + target_path: null + scaffold_list: null + scaffold_dir: null + sampled_insertion: 0 + sampled_N: 0 + sampled_C: 0 + ss_mask: 0 + systematic: false + target_ss: null + target_adj: null + mask_loops: true + contig_crop: null diff --git a/RFdiffusion/outputs/2023-09-13/18-36-56/.hydra/hydra.yaml b/RFdiffusion/outputs/2023-09-13/18-36-56/.hydra/hydra.yaml new file mode 100644 index 0000000000000000000000000000000000000000..527d39f76513f0123b9763602adf4046b6f0e4c7 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-13/18-36-56/.hydra/hydra.yaml @@ -0,0 +1,154 @@ +hydra: + run: + dir: outputs/${now:%Y-%m-%d}/${now:%H-%M-%S} + sweep: + dir: multirun/${now:%Y-%m-%d}/${now:%H-%M-%S} + subdir: ${hydra.job.num} + launcher: + _target_: hydra._internal.core_plugins.basic_launcher.BasicLauncher + sweeper: + _target_: hydra._internal.core_plugins.basic_sweeper.BasicSweeper + max_batch_size: null + params: null + help: + app_name: ${hydra.job.name} + header: '${hydra.help.app_name} is powered by Hydra. + + ' + footer: 'Powered by Hydra (https://hydra.cc) + + Use --hydra-help to view Hydra specific help + + ' + template: '${hydra.help.header} + + == Configuration groups == + + Compose your configuration from those groups (group=option) + + + $APP_CONFIG_GROUPS + + + == Config == + + Override anything in the config (foo.bar=value) + + + $CONFIG + + + ${hydra.help.footer} + + ' + hydra_help: + template: 'Hydra (${hydra.runtime.version}) + + See https://hydra.cc for more info. + + + == Flags == + + $FLAGS_HELP + + + == Configuration groups == + + Compose your configuration from those groups (For example, append hydra/job_logging=disabled + to command line) + + + $HYDRA_CONFIG_GROUPS + + + Use ''--cfg hydra'' to Show the Hydra config. + + ' + hydra_help: ??? + hydra_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][HYDRA] %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + root: + level: INFO + handlers: + - console + loggers: + logging_example: + level: DEBUG + disable_existing_loggers: false + job_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][%(name)s][%(levelname)s] - %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + file: + class: logging.FileHandler + formatter: simple + filename: ${hydra.runtime.output_dir}/${hydra.job.name}.log + root: + level: INFO + handlers: + - console + - file + disable_existing_loggers: false + env: {} + mode: RUN + searchpath: [] + callbacks: {} + output_subdir: .hydra + overrides: + hydra: + - hydra.mode=RUN + task: [] + job: + name: run_inference + chdir: null + override_dirname: '' + id: ??? + num: ??? + config_name: base + env_set: {} + env_copy: [] + config: + override_dirname: + kv_sep: '=' + item_sep: ',' + exclude_keys: [] + runtime: + version: 1.3.2 + version_base: '1.3' + cwd: C:\Users\adminisiterlator\RFdiffusion + config_sources: + - path: hydra.conf + schema: pkg + provider: hydra + - path: C:\Users\adminisiterlator\config\inference + schema: file + provider: main + - path: '' + schema: structured + provider: schema + output_dir: C:\Users\adminisiterlator\RFdiffusion\outputs\2023-09-13\18-36-56 + choices: + hydra/env: default + hydra/callbacks: null + hydra/job_logging: default + hydra/hydra_logging: default + hydra/hydra_help: default + hydra/help: default + hydra/sweeper: basic + hydra/launcher: basic + hydra/output: default + verbose: false diff --git a/RFdiffusion/outputs/2023-09-13/18-36-56/.hydra/overrides.yaml b/RFdiffusion/outputs/2023-09-13/18-36-56/.hydra/overrides.yaml new file mode 100644 index 0000000000000000000000000000000000000000..fe51488c7066f6687ef680d6bfaa4f7768ef205c --- /dev/null +++ b/RFdiffusion/outputs/2023-09-13/18-36-56/.hydra/overrides.yaml @@ -0,0 +1 @@ +[] diff --git a/RFdiffusion/outputs/2023-09-13/18-36-56/run_inference.log b/RFdiffusion/outputs/2023-09-13/18-36-56/run_inference.log new file mode 100644 index 0000000000000000000000000000000000000000..f974cf07071a8ab1c3962f8620ebe2424df1c4fe --- /dev/null +++ b/RFdiffusion/outputs/2023-09-13/18-36-56/run_inference.log @@ -0,0 +1,8 @@ +[2023-09-13 18:36:56,145][__main__][INFO] - //////////////////////////////////////////////// +[2023-09-13 18:36:56,145][__main__][INFO] - ///// NO GPU DETECTED! Falling back to CPU ///// +[2023-09-13 18:36:56,146][__main__][INFO] - //////////////////////////////////////////////// +[2023-09-13 18:36:56,147][rfdiffusion.inference.model_runners][INFO] - Reading checkpoint from C:\Users\adminisiterlator\RFdiffusion\rfdiffusion\inference/../../models/Base_ckpt.pt +[2023-09-13 18:37:00,082][rfdiffusion.inference.model_runners][INFO] - Loading checkpoint. +[2023-09-13 18:37:00,466][rfdiffusion.diffusion][INFO] - Using cached IGSO3. +[2023-09-13 18:37:00,495][__main__][INFO] - Making design samples/design_0 +[2023-09-13 18:37:00,508][rfdiffusion.inference.model_runners][INFO] - Using contig: None diff --git a/RFdiffusion/outputs/2023-09-13/18-38-46/.hydra/config.yaml b/RFdiffusion/outputs/2023-09-13/18-38-46/.hydra/config.yaml new file mode 100644 index 0000000000000000000000000000000000000000..3d978c60153bd98a09d938b48ef71c88bdebc98a --- /dev/null +++ b/RFdiffusion/outputs/2023-09-13/18-38-46/.hydra/config.yaml @@ -0,0 +1,124 @@ +inference: + input_pdb: null + num_designs: 10 + design_startnum: 0 + ckpt_override_path: null + symmetry: null + recenter: true + radius: 10.0 + model_only_neighbors: false + output_prefix: samples/design + write_trajectory: true + scaffold_guided: false + model_runner: SelfConditioning + cautious: true + align_motif: true + symmetric_self_cond: true + final_step: 1 + deterministic: false + trb_save_ckpt_path: null + schedule_directory_path: null + model_directory_path: null +contigmap: + contigs: null + inpaint_seq: null + provide_seq: null + length: null +model: + n_extra_block: 4 + n_main_block: 32 + n_ref_block: 4 + d_msa: 256 + d_msa_full: 64 + d_pair: 128 + d_templ: 64 + n_head_msa: 8 + n_head_pair: 4 + n_head_templ: 4 + d_hidden: 32 + d_hidden_templ: 32 + p_drop: 0.15 + SE3_param_full: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 8 + l0_out_features: 8 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 32 + SE3_param_topk: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 64 + l0_out_features: 64 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 64 + freeze_track_motif: false + use_motif_timestep: false +diffuser: + T: 50 + b_0: 0.01 + b_T: 0.07 + schedule_type: linear + so3_type: igso3 + crd_scale: 0.25 + partial_T: null + so3_schedule_type: linear + min_b: 1.5 + max_b: 2.5 + min_sigma: 0.02 + max_sigma: 1.5 +denoiser: + noise_scale_ca: 1 + final_noise_scale_ca: 1 + ca_noise_schedule_type: constant + noise_scale_frame: 1 + final_noise_scale_frame: 1 + frame_noise_schedule_type: constant +ppi: + hotspot_res: null +potentials: + guiding_potentials: null + guide_scale: 10 + guide_decay: constant + olig_inter_all: null + olig_intra_all: null + olig_custom_contact: null + substrate: null +contig_settings: + ref_idx: null + hal_idx: null + idx_rf: null + inpaint_seq_tensor: null +preprocess: + sidechain_input: false + motif_sidechain_input: true + d_t1d: 22 + d_t2d: 44 + prob_self_cond: 0.0 + str_self_cond: false + predict_previous: false +logging: + inputs: false +scaffoldguided: + scaffoldguided: false + target_pdb: false + target_path: null + scaffold_list: null + scaffold_dir: null + sampled_insertion: 0 + sampled_N: 0 + sampled_C: 0 + ss_mask: 0 + systematic: false + target_ss: null + target_adj: null + mask_loops: true + contig_crop: null diff --git a/RFdiffusion/outputs/2023-09-13/18-38-46/.hydra/hydra.yaml b/RFdiffusion/outputs/2023-09-13/18-38-46/.hydra/hydra.yaml new file mode 100644 index 0000000000000000000000000000000000000000..ec1bd35e39cbc1872c9633962c2d856cce4c5165 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-13/18-38-46/.hydra/hydra.yaml @@ -0,0 +1,154 @@ +hydra: + run: + dir: outputs/${now:%Y-%m-%d}/${now:%H-%M-%S} + sweep: + dir: multirun/${now:%Y-%m-%d}/${now:%H-%M-%S} + subdir: ${hydra.job.num} + launcher: + _target_: hydra._internal.core_plugins.basic_launcher.BasicLauncher + sweeper: + _target_: hydra._internal.core_plugins.basic_sweeper.BasicSweeper + max_batch_size: null + params: null + help: + app_name: ${hydra.job.name} + header: '${hydra.help.app_name} is powered by Hydra. + + ' + footer: 'Powered by Hydra (https://hydra.cc) + + Use --hydra-help to view Hydra specific help + + ' + template: '${hydra.help.header} + + == Configuration groups == + + Compose your configuration from those groups (group=option) + + + $APP_CONFIG_GROUPS + + + == Config == + + Override anything in the config (foo.bar=value) + + + $CONFIG + + + ${hydra.help.footer} + + ' + hydra_help: + template: 'Hydra (${hydra.runtime.version}) + + See https://hydra.cc for more info. + + + == Flags == + + $FLAGS_HELP + + + == Configuration groups == + + Compose your configuration from those groups (For example, append hydra/job_logging=disabled + to command line) + + + $HYDRA_CONFIG_GROUPS + + + Use ''--cfg hydra'' to Show the Hydra config. + + ' + hydra_help: ??? + hydra_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][HYDRA] %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + root: + level: INFO + handlers: + - console + loggers: + logging_example: + level: DEBUG + disable_existing_loggers: false + job_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][%(name)s][%(levelname)s] - %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + file: + class: logging.FileHandler + formatter: simple + filename: ${hydra.runtime.output_dir}/${hydra.job.name}.log + root: + level: INFO + handlers: + - console + - file + disable_existing_loggers: false + env: {} + mode: RUN + searchpath: [] + callbacks: {} + output_subdir: .hydra + overrides: + hydra: + - hydra.mode=RUN + task: [] + job: + name: pyerhao + chdir: null + override_dirname: '' + id: ??? + num: ??? + config_name: base + env_set: {} + env_copy: [] + config: + override_dirname: + kv_sep: '=' + item_sep: ',' + exclude_keys: [] + runtime: + version: 1.3.2 + version_base: '1.3' + cwd: C:\Users\adminisiterlator\RFdiffusion + config_sources: + - path: hydra.conf + schema: pkg + provider: hydra + - path: C:\Users\adminisiterlator\config\inference + schema: file + provider: main + - path: '' + schema: structured + provider: schema + output_dir: C:\Users\adminisiterlator\RFdiffusion\outputs\2023-09-13\18-38-46 + choices: + hydra/env: default + hydra/callbacks: null + hydra/job_logging: default + hydra/hydra_logging: default + hydra/hydra_help: default + hydra/help: default + hydra/sweeper: basic + hydra/launcher: basic + hydra/output: default + verbose: false diff --git a/RFdiffusion/outputs/2023-09-13/18-38-46/.hydra/overrides.yaml b/RFdiffusion/outputs/2023-09-13/18-38-46/.hydra/overrides.yaml new file mode 100644 index 0000000000000000000000000000000000000000..fe51488c7066f6687ef680d6bfaa4f7768ef205c --- /dev/null +++ b/RFdiffusion/outputs/2023-09-13/18-38-46/.hydra/overrides.yaml @@ -0,0 +1 @@ +[] diff --git a/RFdiffusion/outputs/2023-09-13/18-38-46/pyerhao.log b/RFdiffusion/outputs/2023-09-13/18-38-46/pyerhao.log new file mode 100644 index 0000000000000000000000000000000000000000..77fe20b03de881f8fe2247dd238c882135f4cee8 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-13/18-38-46/pyerhao.log @@ -0,0 +1,8 @@ +[2023-09-13 18:38:46,667][__main__][INFO] - //////////////////////////////////////////////// +[2023-09-13 18:38:46,668][__main__][INFO] - ///// NO GPU DETECTED! Falling back to CPU ///// +[2023-09-13 18:38:46,668][__main__][INFO] - //////////////////////////////////////////////// +[2023-09-13 18:38:46,669][rfdiffusion.inference.model_runners][INFO] - Reading checkpoint from C:\Users\adminisiterlator\RFdiffusion\rfdiffusion\inference/../../models/Base_ckpt.pt +[2023-09-13 18:38:49,906][rfdiffusion.inference.model_runners][INFO] - Loading checkpoint. +[2023-09-13 18:38:50,250][rfdiffusion.diffusion][INFO] - Using cached IGSO3. +[2023-09-13 18:38:50,269][__main__][INFO] - Making design samples/design_0 +[2023-09-13 18:38:50,278][rfdiffusion.inference.model_runners][INFO] - Using contig: None diff --git a/RFdiffusion/outputs/2023-09-13/19-23-12/.hydra/config.yaml b/RFdiffusion/outputs/2023-09-13/19-23-12/.hydra/config.yaml new file mode 100644 index 0000000000000000000000000000000000000000..3d978c60153bd98a09d938b48ef71c88bdebc98a --- /dev/null +++ b/RFdiffusion/outputs/2023-09-13/19-23-12/.hydra/config.yaml @@ -0,0 +1,124 @@ +inference: + input_pdb: null + num_designs: 10 + design_startnum: 0 + ckpt_override_path: null + symmetry: null + recenter: true + radius: 10.0 + model_only_neighbors: false + output_prefix: samples/design + write_trajectory: true + scaffold_guided: false + model_runner: SelfConditioning + cautious: true + align_motif: true + symmetric_self_cond: true + final_step: 1 + deterministic: false + trb_save_ckpt_path: null + schedule_directory_path: null + model_directory_path: null +contigmap: + contigs: null + inpaint_seq: null + provide_seq: null + length: null +model: + n_extra_block: 4 + n_main_block: 32 + n_ref_block: 4 + d_msa: 256 + d_msa_full: 64 + d_pair: 128 + d_templ: 64 + n_head_msa: 8 + n_head_pair: 4 + n_head_templ: 4 + d_hidden: 32 + d_hidden_templ: 32 + p_drop: 0.15 + SE3_param_full: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 8 + l0_out_features: 8 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 32 + SE3_param_topk: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 64 + l0_out_features: 64 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 64 + freeze_track_motif: false + use_motif_timestep: false +diffuser: + T: 50 + b_0: 0.01 + b_T: 0.07 + schedule_type: linear + so3_type: igso3 + crd_scale: 0.25 + partial_T: null + so3_schedule_type: linear + min_b: 1.5 + max_b: 2.5 + min_sigma: 0.02 + max_sigma: 1.5 +denoiser: + noise_scale_ca: 1 + final_noise_scale_ca: 1 + ca_noise_schedule_type: constant + noise_scale_frame: 1 + final_noise_scale_frame: 1 + frame_noise_schedule_type: constant +ppi: + hotspot_res: null +potentials: + guiding_potentials: null + guide_scale: 10 + guide_decay: constant + olig_inter_all: null + olig_intra_all: null + olig_custom_contact: null + substrate: null +contig_settings: + ref_idx: null + hal_idx: null + idx_rf: null + inpaint_seq_tensor: null +preprocess: + sidechain_input: false + motif_sidechain_input: true + d_t1d: 22 + d_t2d: 44 + prob_self_cond: 0.0 + str_self_cond: false + predict_previous: false +logging: + inputs: false +scaffoldguided: + scaffoldguided: false + target_pdb: false + target_path: null + scaffold_list: null + scaffold_dir: null + sampled_insertion: 0 + sampled_N: 0 + sampled_C: 0 + ss_mask: 0 + systematic: false + target_ss: null + target_adj: null + mask_loops: true + contig_crop: null diff --git a/RFdiffusion/outputs/2023-09-13/19-23-12/.hydra/hydra.yaml b/RFdiffusion/outputs/2023-09-13/19-23-12/.hydra/hydra.yaml new file mode 100644 index 0000000000000000000000000000000000000000..c80ed1734d6b0e8a483af0c094ffe973613dd5e5 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-13/19-23-12/.hydra/hydra.yaml @@ -0,0 +1,154 @@ +hydra: + run: + dir: outputs/${now:%Y-%m-%d}/${now:%H-%M-%S} + sweep: + dir: multirun/${now:%Y-%m-%d}/${now:%H-%M-%S} + subdir: ${hydra.job.num} + launcher: + _target_: hydra._internal.core_plugins.basic_launcher.BasicLauncher + sweeper: + _target_: hydra._internal.core_plugins.basic_sweeper.BasicSweeper + max_batch_size: null + params: null + help: + app_name: ${hydra.job.name} + header: '${hydra.help.app_name} is powered by Hydra. + + ' + footer: 'Powered by Hydra (https://hydra.cc) + + Use --hydra-help to view Hydra specific help + + ' + template: '${hydra.help.header} + + == Configuration groups == + + Compose your configuration from those groups (group=option) + + + $APP_CONFIG_GROUPS + + + == Config == + + Override anything in the config (foo.bar=value) + + + $CONFIG + + + ${hydra.help.footer} + + ' + hydra_help: + template: 'Hydra (${hydra.runtime.version}) + + See https://hydra.cc for more info. + + + == Flags == + + $FLAGS_HELP + + + == Configuration groups == + + Compose your configuration from those groups (For example, append hydra/job_logging=disabled + to command line) + + + $HYDRA_CONFIG_GROUPS + + + Use ''--cfg hydra'' to Show the Hydra config. + + ' + hydra_help: ??? + hydra_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][HYDRA] %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + root: + level: INFO + handlers: + - console + loggers: + logging_example: + level: DEBUG + disable_existing_loggers: false + job_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][%(name)s][%(levelname)s] - %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + file: + class: logging.FileHandler + formatter: simple + filename: ${hydra.runtime.output_dir}/${hydra.job.name}.log + root: + level: INFO + handlers: + - console + - file + disable_existing_loggers: false + env: {} + mode: RUN + searchpath: [] + callbacks: {} + output_subdir: .hydra + overrides: + hydra: + - hydra.mode=RUN + task: [] + job: + name: pyerhao + chdir: null + override_dirname: '' + id: ??? + num: ??? + config_name: base + env_set: {} + env_copy: [] + config: + override_dirname: + kv_sep: '=' + item_sep: ',' + exclude_keys: [] + runtime: + version: 1.3.2 + version_base: '1.3' + cwd: C:\Users\adminisiterlator\RFdiffusion + config_sources: + - path: hydra.conf + schema: pkg + provider: hydra + - path: C:\Users\adminisiterlator\config\inference + schema: file + provider: main + - path: '' + schema: structured + provider: schema + output_dir: C:\Users\adminisiterlator\RFdiffusion\outputs\2023-09-13\19-23-12 + choices: + hydra/env: default + hydra/callbacks: null + hydra/job_logging: default + hydra/hydra_logging: default + hydra/hydra_help: default + hydra/help: default + hydra/sweeper: basic + hydra/launcher: basic + hydra/output: default + verbose: false diff --git a/RFdiffusion/outputs/2023-09-13/19-23-12/.hydra/overrides.yaml b/RFdiffusion/outputs/2023-09-13/19-23-12/.hydra/overrides.yaml new file mode 100644 index 0000000000000000000000000000000000000000..fe51488c7066f6687ef680d6bfaa4f7768ef205c --- /dev/null +++ b/RFdiffusion/outputs/2023-09-13/19-23-12/.hydra/overrides.yaml @@ -0,0 +1 @@ +[] diff --git a/RFdiffusion/outputs/2023-09-13/19-23-12/pyerhao.log b/RFdiffusion/outputs/2023-09-13/19-23-12/pyerhao.log new file mode 100644 index 0000000000000000000000000000000000000000..1559512502cd800e1eaff9e62415a2dcf52f7926 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-13/19-23-12/pyerhao.log @@ -0,0 +1,8 @@ +[2023-09-13 19:23:12,588][__main__][INFO] - //////////////////////////////////////////////// +[2023-09-13 19:23:12,588][__main__][INFO] - ///// NO GPU DETECTED! Falling back to CPU ///// +[2023-09-13 19:23:12,588][__main__][INFO] - //////////////////////////////////////////////// +[2023-09-13 19:23:12,589][rfdiffusion.inference.model_runners][INFO] - Reading checkpoint from C:\Users\adminisiterlator\RFdiffusion\rfdiffusion\inference/../../models/Base_ckpt.pt +[2023-09-13 19:23:15,917][rfdiffusion.inference.model_runners][INFO] - Loading checkpoint. +[2023-09-13 19:23:16,251][rfdiffusion.diffusion][INFO] - Using cached IGSO3. +[2023-09-13 19:23:16,275][__main__][INFO] - Making design samples/design_0 +[2023-09-13 19:23:16,285][rfdiffusion.inference.model_runners][INFO] - Using contig: None diff --git a/RFdiffusion/outputs/2023-09-18/23-13-26/.hydra/config.yaml b/RFdiffusion/outputs/2023-09-18/23-13-26/.hydra/config.yaml new file mode 100644 index 0000000000000000000000000000000000000000..3d978c60153bd98a09d938b48ef71c88bdebc98a --- /dev/null +++ b/RFdiffusion/outputs/2023-09-18/23-13-26/.hydra/config.yaml @@ -0,0 +1,124 @@ +inference: + input_pdb: null + num_designs: 10 + design_startnum: 0 + ckpt_override_path: null + symmetry: null + recenter: true + radius: 10.0 + model_only_neighbors: false + output_prefix: samples/design + write_trajectory: true + scaffold_guided: false + model_runner: SelfConditioning + cautious: true + align_motif: true + symmetric_self_cond: true + final_step: 1 + deterministic: false + trb_save_ckpt_path: null + schedule_directory_path: null + model_directory_path: null +contigmap: + contigs: null + inpaint_seq: null + provide_seq: null + length: null +model: + n_extra_block: 4 + n_main_block: 32 + n_ref_block: 4 + d_msa: 256 + d_msa_full: 64 + d_pair: 128 + d_templ: 64 + n_head_msa: 8 + n_head_pair: 4 + n_head_templ: 4 + d_hidden: 32 + d_hidden_templ: 32 + p_drop: 0.15 + SE3_param_full: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 8 + l0_out_features: 8 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 32 + SE3_param_topk: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 64 + l0_out_features: 64 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 64 + freeze_track_motif: false + use_motif_timestep: false +diffuser: + T: 50 + b_0: 0.01 + b_T: 0.07 + schedule_type: linear + so3_type: igso3 + crd_scale: 0.25 + partial_T: null + so3_schedule_type: linear + min_b: 1.5 + max_b: 2.5 + min_sigma: 0.02 + max_sigma: 1.5 +denoiser: + noise_scale_ca: 1 + final_noise_scale_ca: 1 + ca_noise_schedule_type: constant + noise_scale_frame: 1 + final_noise_scale_frame: 1 + frame_noise_schedule_type: constant +ppi: + hotspot_res: null +potentials: + guiding_potentials: null + guide_scale: 10 + guide_decay: constant + olig_inter_all: null + olig_intra_all: null + olig_custom_contact: null + substrate: null +contig_settings: + ref_idx: null + hal_idx: null + idx_rf: null + inpaint_seq_tensor: null +preprocess: + sidechain_input: false + motif_sidechain_input: true + d_t1d: 22 + d_t2d: 44 + prob_self_cond: 0.0 + str_self_cond: false + predict_previous: false +logging: + inputs: false +scaffoldguided: + scaffoldguided: false + target_pdb: false + target_path: null + scaffold_list: null + scaffold_dir: null + sampled_insertion: 0 + sampled_N: 0 + sampled_C: 0 + ss_mask: 0 + systematic: false + target_ss: null + target_adj: null + mask_loops: true + contig_crop: null diff --git a/RFdiffusion/outputs/2023-09-18/23-13-26/.hydra/hydra.yaml b/RFdiffusion/outputs/2023-09-18/23-13-26/.hydra/hydra.yaml new file mode 100644 index 0000000000000000000000000000000000000000..f79edc9bcab07532f5eb6393831d9dd24fd88e4b --- /dev/null +++ b/RFdiffusion/outputs/2023-09-18/23-13-26/.hydra/hydra.yaml @@ -0,0 +1,154 @@ +hydra: + run: + dir: outputs/${now:%Y-%m-%d}/${now:%H-%M-%S} + sweep: + dir: multirun/${now:%Y-%m-%d}/${now:%H-%M-%S} + subdir: ${hydra.job.num} + launcher: + _target_: hydra._internal.core_plugins.basic_launcher.BasicLauncher + sweeper: + _target_: hydra._internal.core_plugins.basic_sweeper.BasicSweeper + max_batch_size: null + params: null + help: + app_name: ${hydra.job.name} + header: '${hydra.help.app_name} is powered by Hydra. + + ' + footer: 'Powered by Hydra (https://hydra.cc) + + Use --hydra-help to view Hydra specific help + + ' + template: '${hydra.help.header} + + == Configuration groups == + + Compose your configuration from those groups (group=option) + + + $APP_CONFIG_GROUPS + + + == Config == + + Override anything in the config (foo.bar=value) + + + $CONFIG + + + ${hydra.help.footer} + + ' + hydra_help: + template: 'Hydra (${hydra.runtime.version}) + + See https://hydra.cc for more info. + + + == Flags == + + $FLAGS_HELP + + + == Configuration groups == + + Compose your configuration from those groups (For example, append hydra/job_logging=disabled + to command line) + + + $HYDRA_CONFIG_GROUPS + + + Use ''--cfg hydra'' to Show the Hydra config. + + ' + hydra_help: ??? + hydra_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][HYDRA] %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + root: + level: INFO + handlers: + - console + loggers: + logging_example: + level: DEBUG + disable_existing_loggers: false + job_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][%(name)s][%(levelname)s] - %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + file: + class: logging.FileHandler + formatter: simple + filename: ${hydra.runtime.output_dir}/${hydra.job.name}.log + root: + level: INFO + handlers: + - console + - file + disable_existing_loggers: false + env: {} + mode: RUN + searchpath: [] + callbacks: {} + output_subdir: .hydra + overrides: + hydra: + - hydra.mode=RUN + task: [] + job: + name: '2221' + chdir: null + override_dirname: '' + id: ??? + num: ??? + config_name: base + env_set: {} + env_copy: [] + config: + override_dirname: + kv_sep: '=' + item_sep: ',' + exclude_keys: [] + runtime: + version: 1.3.2 + version_base: '1.3' + cwd: C:\Users\adminisiterlator\RFdiffusion + config_sources: + - path: hydra.conf + schema: pkg + provider: hydra + - path: C:\Users\adminisiterlator\config\inference + schema: file + provider: main + - path: '' + schema: structured + provider: schema + output_dir: C:\Users\adminisiterlator\RFdiffusion\outputs\2023-09-18\23-13-26 + choices: + hydra/env: default + hydra/callbacks: null + hydra/job_logging: default + hydra/hydra_logging: default + hydra/hydra_help: default + hydra/help: default + hydra/sweeper: basic + hydra/launcher: basic + hydra/output: default + verbose: false diff --git a/RFdiffusion/outputs/2023-09-18/23-13-26/.hydra/overrides.yaml b/RFdiffusion/outputs/2023-09-18/23-13-26/.hydra/overrides.yaml new file mode 100644 index 0000000000000000000000000000000000000000..fe51488c7066f6687ef680d6bfaa4f7768ef205c --- /dev/null +++ b/RFdiffusion/outputs/2023-09-18/23-13-26/.hydra/overrides.yaml @@ -0,0 +1 @@ +[] diff --git a/RFdiffusion/outputs/2023-09-18/23-13-26/2221.log b/RFdiffusion/outputs/2023-09-18/23-13-26/2221.log new file mode 100644 index 0000000000000000000000000000000000000000..dc3018a9b576451a2d1029353a8297c919245447 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-18/23-13-26/2221.log @@ -0,0 +1,8 @@ +[2023-09-18 23:13:26,747][__main__][INFO] - //////////////////////////////////////////////// +[2023-09-18 23:13:26,747][__main__][INFO] - ///// NO GPU DETECTED! Falling back to CPU ///// +[2023-09-18 23:13:26,748][__main__][INFO] - //////////////////////////////////////////////// +[2023-09-18 23:13:26,749][rfdiffusion.inference.model_runners][INFO] - Reading checkpoint from C:\Users\adminisiterlator\RFdiffusion\rfdiffusion\inference/../../models/Base_ckpt.pt +[2023-09-18 23:13:30,711][rfdiffusion.inference.model_runners][INFO] - Loading checkpoint. +[2023-09-18 23:13:31,094][rfdiffusion.diffusion][INFO] - Using cached IGSO3. +[2023-09-18 23:13:31,120][__main__][INFO] - Making design samples/design_0 +[2023-09-18 23:13:31,133][rfdiffusion.inference.model_runners][INFO] - Using contig: None diff --git a/RFdiffusion/outputs/2023-09-19/19-57-53/.hydra/config.yaml b/RFdiffusion/outputs/2023-09-19/19-57-53/.hydra/config.yaml new file mode 100644 index 0000000000000000000000000000000000000000..bde965429cdc4f3c3680f0ada33abea62d2632b3 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-19/19-57-53/.hydra/config.yaml @@ -0,0 +1,126 @@ +inference: + input_pdb: ./sample.pdb + num_designs: 10 + design_startnum: 0 + ckpt_override_path: null + symmetry: null + recenter: true + radius: 10.0 + model_only_neighbors: false + output_prefix: ./ + write_trajectory: true + scaffold_guided: false + model_runner: SelfConditioning + cautious: true + align_motif: true + symmetric_self_cond: true + final_step: 1 + deterministic: false + trb_save_ckpt_path: null + schedule_directory_path: null + model_directory_path: null +contigmap: + contigs: + - 10-40/a394-408/10-40 + inpaint_seq: null + provide_seq: null + length: null +model: + n_extra_block: 4 + n_main_block: 32 + n_ref_block: 4 + d_msa: 256 + d_msa_full: 64 + d_pair: 128 + d_templ: 64 + n_head_msa: 8 + n_head_pair: 4 + n_head_templ: 4 + d_hidden: 32 + d_hidden_templ: 32 + p_drop: 0.15 + SE3_param_full: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 8 + l0_out_features: 8 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 32 + SE3_param_topk: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 64 + l0_out_features: 64 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 64 + freeze_track_motif: false + use_motif_timestep: false +diffuser: + T: 50 + b_0: 0.01 + b_T: 0.07 + schedule_type: linear + so3_type: igso3 + crd_scale: 0.25 + partial_T: null + so3_schedule_type: linear + min_b: 1.5 + max_b: 2.5 + min_sigma: 0.02 + max_sigma: 1.5 +denoiser: + noise_scale_ca: 1 + final_noise_scale_ca: 1 + ca_noise_schedule_type: constant + noise_scale_frame: 1 + final_noise_scale_frame: 1 + frame_noise_schedule_type: constant +ppi: + hotspot_res: null +potentials: + guiding_potentials: null + guide_scale: 10 + guide_decay: constant + olig_inter_all: null + olig_intra_all: null + olig_custom_contact: null + substrate: null +contig_settings: + ref_idx: null + hal_idx: null + idx_rf: null + inpaint_seq_tensor: null +preprocess: + sidechain_input: false + motif_sidechain_input: true + d_t1d: 22 + d_t2d: 44 + prob_self_cond: 0.0 + str_self_cond: false + predict_previous: false +logging: + inputs: false +scaffoldguided: + scaffoldguided: false + target_pdb: false + target_path: null + scaffold_list: null + scaffold_dir: null + sampled_insertion: 0 + sampled_N: 0 + sampled_C: 0 + ss_mask: 0 + systematic: false + target_ss: null + target_adj: null + mask_loops: true + contig_crop: null +schedule_directory_path: ./ diff --git a/RFdiffusion/outputs/2023-09-19/19-57-53/.hydra/hydra.yaml b/RFdiffusion/outputs/2023-09-19/19-57-53/.hydra/hydra.yaml new file mode 100644 index 0000000000000000000000000000000000000000..4bd4166e5e6fd8d12d448e24360fb5ba5efdf127 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-19/19-57-53/.hydra/hydra.yaml @@ -0,0 +1,158 @@ +hydra: + run: + dir: outputs/${now:%Y-%m-%d}/${now:%H-%M-%S} + sweep: + dir: multirun/${now:%Y-%m-%d}/${now:%H-%M-%S} + subdir: ${hydra.job.num} + launcher: + _target_: hydra._internal.core_plugins.basic_launcher.BasicLauncher + sweeper: + _target_: hydra._internal.core_plugins.basic_sweeper.BasicSweeper + max_batch_size: null + params: null + help: + app_name: ${hydra.job.name} + header: '${hydra.help.app_name} is powered by Hydra. + + ' + footer: 'Powered by Hydra (https://hydra.cc) + + Use --hydra-help to view Hydra specific help + + ' + template: '${hydra.help.header} + + == Configuration groups == + + Compose your configuration from those groups (group=option) + + + $APP_CONFIG_GROUPS + + + == Config == + + Override anything in the config (foo.bar=value) + + + $CONFIG + + + ${hydra.help.footer} + + ' + hydra_help: + template: 'Hydra (${hydra.runtime.version}) + + See https://hydra.cc for more info. + + + == Flags == + + $FLAGS_HELP + + + == Configuration groups == + + Compose your configuration from those groups (For example, append hydra/job_logging=disabled + to command line) + + + $HYDRA_CONFIG_GROUPS + + + Use ''--cfg hydra'' to Show the Hydra config. + + ' + hydra_help: ??? + hydra_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][HYDRA] %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + root: + level: INFO + handlers: + - console + loggers: + logging_example: + level: DEBUG + disable_existing_loggers: false + job_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][%(name)s][%(levelname)s] - %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + file: + class: logging.FileHandler + formatter: simple + filename: ${hydra.runtime.output_dir}/${hydra.job.name}.log + root: + level: INFO + handlers: + - console + - file + disable_existing_loggers: false + env: {} + mode: RUN + searchpath: [] + callbacks: {} + output_subdir: .hydra + overrides: + hydra: + - hydra.mode=RUN + task: + - inference.output_prefix=./ + - inference.input_pdb=./sample.pdb + - contigmap.contigs=[10-40/a394-408/10-40] + - +schedule_directory_path=./ + job: + name: run_inference + chdir: null + override_dirname: +schedule_directory_path=./,contigmap.contigs=[10-40/a394-408/10-40],inference.input_pdb=./sample.pdb,inference.output_prefix=./ + id: ??? + num: ??? + config_name: base + env_set: {} + env_copy: [] + config: + override_dirname: + kv_sep: '=' + item_sep: ',' + exclude_keys: [] + runtime: + version: 1.3.2 + version_base: '1.3' + cwd: C:\Users\adminisiterlator\RFdiffusion + config_sources: + - path: hydra.conf + schema: pkg + provider: hydra + - path: C:\Users\adminisiterlator\RFdiffusion\config\inference + schema: file + provider: main + - path: '' + schema: structured + provider: schema + output_dir: C:\Users\adminisiterlator\RFdiffusion\outputs\2023-09-19\19-57-53 + choices: + hydra/env: default + hydra/callbacks: null + hydra/job_logging: default + hydra/hydra_logging: default + hydra/hydra_help: default + hydra/help: default + hydra/sweeper: basic + hydra/launcher: basic + hydra/output: default + verbose: false diff --git a/RFdiffusion/outputs/2023-09-19/19-57-53/.hydra/overrides.yaml b/RFdiffusion/outputs/2023-09-19/19-57-53/.hydra/overrides.yaml new file mode 100644 index 0000000000000000000000000000000000000000..5b956c423a1fe3d27398bc2b4d0a7704c6f38694 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-19/19-57-53/.hydra/overrides.yaml @@ -0,0 +1,4 @@ +- inference.output_prefix=./ +- inference.input_pdb=./sample.pdb +- contigmap.contigs=[10-40/a394-408/10-40] +- +schedule_directory_path=./ diff --git a/RFdiffusion/outputs/2023-09-19/19-57-53/run_inference.log b/RFdiffusion/outputs/2023-09-19/19-57-53/run_inference.log new file mode 100644 index 0000000000000000000000000000000000000000..f1a94912591791b7d53027570328ab8227d1ae70 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-19/19-57-53/run_inference.log @@ -0,0 +1,6 @@ +[2023-09-19 19:57:53,768][__main__][INFO] - //////////////////////////////////////////////// +[2023-09-19 19:57:53,769][__main__][INFO] - ///// NO GPU DETECTED! Falling back to CPU ///// +[2023-09-19 19:57:53,770][__main__][INFO] - //////////////////////////////////////////////// +[2023-09-19 19:57:53,772][rfdiffusion.inference.model_runners][INFO] - Reading checkpoint from C:\Users\adminisiterlator\RFdiffusion\rfdiffusion\inference/../../models/Base_ckpt.pt +[2023-09-19 19:57:59,265][rfdiffusion.inference.model_runners][INFO] - Loading checkpoint. +[2023-09-19 19:57:59,730][rfdiffusion.diffusion][INFO] - Using cached IGSO3. diff --git a/RFdiffusion/outputs/2023-09-20/18-19-35/.hydra/config.yaml b/RFdiffusion/outputs/2023-09-20/18-19-35/.hydra/config.yaml new file mode 100644 index 0000000000000000000000000000000000000000..952d7a4e0b106398c7ce6cdb191d9d3d9f8af9b7 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-20/18-19-35/.hydra/config.yaml @@ -0,0 +1,125 @@ +inference: + input_pdb: C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + num_designs: 5 + design_startnum: 0 + ckpt_override_path: null + symmetry: null + recenter: true + radius: 10.0 + model_only_neighbors: false + output_prefix: testoutputs/binder_test + write_trajectory: true + scaffold_guided: false + model_runner: SelfConditioning + cautious: true + align_motif: true + symmetric_self_cond: true + final_step: 1 + deterministic: false + trb_save_ckpt_path: null + schedule_directory_path: null + model_directory_path: null +contigmap: + contigs: + - A1-250/0 150-150 + inpaint_seq: null + provide_seq: null + length: null +model: + n_extra_block: 4 + n_main_block: 32 + n_ref_block: 4 + d_msa: 256 + d_msa_full: 64 + d_pair: 128 + d_templ: 64 + n_head_msa: 8 + n_head_pair: 4 + n_head_templ: 4 + d_hidden: 32 + d_hidden_templ: 32 + p_drop: 0.15 + SE3_param_full: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 8 + l0_out_features: 8 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 32 + SE3_param_topk: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 64 + l0_out_features: 64 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 64 + freeze_track_motif: false + use_motif_timestep: false +diffuser: + T: 50 + b_0: 0.01 + b_T: 0.07 + schedule_type: linear + so3_type: igso3 + crd_scale: 0.25 + partial_T: null + so3_schedule_type: linear + min_b: 1.5 + max_b: 2.5 + min_sigma: 0.02 + max_sigma: 1.5 +denoiser: + noise_scale_ca: 1 + final_noise_scale_ca: 1 + ca_noise_schedule_type: constant + noise_scale_frame: 1 + final_noise_scale_frame: 1 + frame_noise_schedule_type: constant +ppi: + hotspot_res: null +potentials: + guiding_potentials: null + guide_scale: 10 + guide_decay: constant + olig_inter_all: null + olig_intra_all: null + olig_custom_contact: null + substrate: null +contig_settings: + ref_idx: null + hal_idx: null + idx_rf: null + inpaint_seq_tensor: null +preprocess: + sidechain_input: false + motif_sidechain_input: true + d_t1d: 22 + d_t2d: 44 + prob_self_cond: 0.0 + str_self_cond: false + predict_previous: false +logging: + inputs: false +scaffoldguided: + scaffoldguided: false + target_pdb: false + target_path: null + scaffold_list: null + scaffold_dir: null + sampled_insertion: 0 + sampled_N: 0 + sampled_C: 0 + ss_mask: 0 + systematic: false + target_ss: null + target_adj: null + mask_loops: true + contig_crop: null diff --git a/RFdiffusion/outputs/2023-09-20/18-19-35/.hydra/hydra.yaml b/RFdiffusion/outputs/2023-09-20/18-19-35/.hydra/hydra.yaml new file mode 100644 index 0000000000000000000000000000000000000000..d9d82706bd0d431a592c6efe8e2dddcebf6303e1 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-20/18-19-35/.hydra/hydra.yaml @@ -0,0 +1,159 @@ +hydra: + run: + dir: outputs/${now:%Y-%m-%d}/${now:%H-%M-%S} + sweep: + dir: multirun/${now:%Y-%m-%d}/${now:%H-%M-%S} + subdir: ${hydra.job.num} + launcher: + _target_: hydra._internal.core_plugins.basic_launcher.BasicLauncher + sweeper: + _target_: hydra._internal.core_plugins.basic_sweeper.BasicSweeper + max_batch_size: null + params: null + help: + app_name: ${hydra.job.name} + header: '${hydra.help.app_name} is powered by Hydra. + + ' + footer: 'Powered by Hydra (https://hydra.cc) + + Use --hydra-help to view Hydra specific help + + ' + template: '${hydra.help.header} + + == Configuration groups == + + Compose your configuration from those groups (group=option) + + + $APP_CONFIG_GROUPS + + + == Config == + + Override anything in the config (foo.bar=value) + + + $CONFIG + + + ${hydra.help.footer} + + ' + hydra_help: + template: 'Hydra (${hydra.runtime.version}) + + See https://hydra.cc for more info. + + + == Flags == + + $FLAGS_HELP + + + == Configuration groups == + + Compose your configuration from those groups (For example, append hydra/job_logging=disabled + to command line) + + + $HYDRA_CONFIG_GROUPS + + + Use ''--cfg hydra'' to Show the Hydra config. + + ' + hydra_help: ??? + hydra_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][HYDRA] %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + root: + level: INFO + handlers: + - console + loggers: + logging_example: + level: DEBUG + disable_existing_loggers: false + job_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][%(name)s][%(levelname)s] - %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + file: + class: logging.FileHandler + formatter: simple + filename: ${hydra.runtime.output_dir}/${hydra.job.name}.log + root: + level: INFO + handlers: + - console + - file + disable_existing_loggers: false + env: {} + mode: RUN + searchpath: [] + callbacks: {} + output_subdir: .hydra + overrides: + hydra: + - hydra.mode=RUN + task: + - inference.output_prefix=./ + - inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + - contigmap.contigs=[A1-250/0 150-150] + - inference.output_prefix=testoutputs/binder_test + - inference.num_designs=5 + job: + name: run_inference + chdir: null + override_dirname: contigmap.contigs=[A1-250/0 150-150],inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb,inference.num_designs=5,inference.output_prefix=./,inference.output_prefix=testoutputs/binder_test + id: ??? + num: ??? + config_name: base + env_set: {} + env_copy: [] + config: + override_dirname: + kv_sep: '=' + item_sep: ',' + exclude_keys: [] + runtime: + version: 1.3.2 + version_base: '1.3' + cwd: C:\Users\adminisiterlator\RFdiffusion + config_sources: + - path: hydra.conf + schema: pkg + provider: hydra + - path: C:\Users\adminisiterlator\RFdiffusion\config\inference + schema: file + provider: main + - path: '' + schema: structured + provider: schema + output_dir: C:\Users\adminisiterlator\RFdiffusion\outputs\2023-09-20\18-19-35 + choices: + hydra/env: default + hydra/callbacks: null + hydra/job_logging: default + hydra/hydra_logging: default + hydra/hydra_help: default + hydra/help: default + hydra/sweeper: basic + hydra/launcher: basic + hydra/output: default + verbose: false diff --git a/RFdiffusion/outputs/2023-09-20/18-19-35/.hydra/overrides.yaml b/RFdiffusion/outputs/2023-09-20/18-19-35/.hydra/overrides.yaml new file mode 100644 index 0000000000000000000000000000000000000000..0e2f13e0dc3a10cc7a4c48e82c96725722f8e92c --- /dev/null +++ b/RFdiffusion/outputs/2023-09-20/18-19-35/.hydra/overrides.yaml @@ -0,0 +1,5 @@ +- inference.output_prefix=./ +- inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb +- contigmap.contigs=[A1-250/0 150-150] +- inference.output_prefix=testoutputs/binder_test +- inference.num_designs=5 diff --git a/RFdiffusion/outputs/2023-09-20/18-19-35/run_inference.log b/RFdiffusion/outputs/2023-09-20/18-19-35/run_inference.log new file mode 100644 index 0000000000000000000000000000000000000000..9ee5cdd276bbce43377d7b24208b9d010d2e07d8 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-20/18-19-35/run_inference.log @@ -0,0 +1,8 @@ +[2023-09-20 18:19:35,473][__main__][INFO] - //////////////////////////////////////////////// +[2023-09-20 18:19:35,473][__main__][INFO] - ///// NO GPU DETECTED! Falling back to CPU ///// +[2023-09-20 18:19:35,473][__main__][INFO] - //////////////////////////////////////////////// +[2023-09-20 18:19:35,475][rfdiffusion.inference.model_runners][INFO] - Reading checkpoint from C:\Users\adminisiterlator\RFdiffusion\rfdiffusion\inference/../../models/Base_ckpt.pt +[2023-09-20 18:19:39,118][rfdiffusion.inference.model_runners][INFO] - Loading checkpoint. +[2023-09-20 18:19:39,448][rfdiffusion.diffusion][INFO] - Using cached IGSO3. +[2023-09-20 18:19:39,512][__main__][INFO] - Making design testoutputs/binder_test_0 +[2023-09-20 18:19:39,580][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A1-250/0 150-150'] diff --git a/RFdiffusion/outputs/2023-09-20/18-21-07/.hydra/config.yaml b/RFdiffusion/outputs/2023-09-20/18-21-07/.hydra/config.yaml new file mode 100644 index 0000000000000000000000000000000000000000..874651b0233297a5cf23fe7112da260a9a8b7115 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-20/18-21-07/.hydra/config.yaml @@ -0,0 +1,125 @@ +inference: + input_pdb: C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + num_designs: 1 + design_startnum: 0 + ckpt_override_path: null + symmetry: null + recenter: true + radius: 10.0 + model_only_neighbors: false + output_prefix: testoutputs/binder_test + write_trajectory: true + scaffold_guided: false + model_runner: SelfConditioning + cautious: true + align_motif: true + symmetric_self_cond: true + final_step: 1 + deterministic: false + trb_save_ckpt_path: null + schedule_directory_path: null + model_directory_path: null +contigmap: + contigs: + - A1-250/0 150-150 + inpaint_seq: null + provide_seq: null + length: null +model: + n_extra_block: 4 + n_main_block: 32 + n_ref_block: 4 + d_msa: 256 + d_msa_full: 64 + d_pair: 128 + d_templ: 64 + n_head_msa: 8 + n_head_pair: 4 + n_head_templ: 4 + d_hidden: 32 + d_hidden_templ: 32 + p_drop: 0.15 + SE3_param_full: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 8 + l0_out_features: 8 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 32 + SE3_param_topk: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 64 + l0_out_features: 64 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 64 + freeze_track_motif: false + use_motif_timestep: false +diffuser: + T: 50 + b_0: 0.01 + b_T: 0.07 + schedule_type: linear + so3_type: igso3 + crd_scale: 0.25 + partial_T: null + so3_schedule_type: linear + min_b: 1.5 + max_b: 2.5 + min_sigma: 0.02 + max_sigma: 1.5 +denoiser: + noise_scale_ca: 1 + final_noise_scale_ca: 1 + ca_noise_schedule_type: constant + noise_scale_frame: 1 + final_noise_scale_frame: 1 + frame_noise_schedule_type: constant +ppi: + hotspot_res: null +potentials: + guiding_potentials: null + guide_scale: 10 + guide_decay: constant + olig_inter_all: null + olig_intra_all: null + olig_custom_contact: null + substrate: null +contig_settings: + ref_idx: null + hal_idx: null + idx_rf: null + inpaint_seq_tensor: null +preprocess: + sidechain_input: false + motif_sidechain_input: true + d_t1d: 22 + d_t2d: 44 + prob_self_cond: 0.0 + str_self_cond: false + predict_previous: false +logging: + inputs: false +scaffoldguided: + scaffoldguided: false + target_pdb: false + target_path: null + scaffold_list: null + scaffold_dir: null + sampled_insertion: 0 + sampled_N: 0 + sampled_C: 0 + ss_mask: 0 + systematic: false + target_ss: null + target_adj: null + mask_loops: true + contig_crop: null diff --git a/RFdiffusion/outputs/2023-09-20/18-21-07/.hydra/hydra.yaml b/RFdiffusion/outputs/2023-09-20/18-21-07/.hydra/hydra.yaml new file mode 100644 index 0000000000000000000000000000000000000000..1d253a6b8c2c89d2e62dab22cfddf3578d0a4c07 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-20/18-21-07/.hydra/hydra.yaml @@ -0,0 +1,159 @@ +hydra: + run: + dir: outputs/${now:%Y-%m-%d}/${now:%H-%M-%S} + sweep: + dir: multirun/${now:%Y-%m-%d}/${now:%H-%M-%S} + subdir: ${hydra.job.num} + launcher: + _target_: hydra._internal.core_plugins.basic_launcher.BasicLauncher + sweeper: + _target_: hydra._internal.core_plugins.basic_sweeper.BasicSweeper + max_batch_size: null + params: null + help: + app_name: ${hydra.job.name} + header: '${hydra.help.app_name} is powered by Hydra. + + ' + footer: 'Powered by Hydra (https://hydra.cc) + + Use --hydra-help to view Hydra specific help + + ' + template: '${hydra.help.header} + + == Configuration groups == + + Compose your configuration from those groups (group=option) + + + $APP_CONFIG_GROUPS + + + == Config == + + Override anything in the config (foo.bar=value) + + + $CONFIG + + + ${hydra.help.footer} + + ' + hydra_help: + template: 'Hydra (${hydra.runtime.version}) + + See https://hydra.cc for more info. + + + == Flags == + + $FLAGS_HELP + + + == Configuration groups == + + Compose your configuration from those groups (For example, append hydra/job_logging=disabled + to command line) + + + $HYDRA_CONFIG_GROUPS + + + Use ''--cfg hydra'' to Show the Hydra config. + + ' + hydra_help: ??? + hydra_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][HYDRA] %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + root: + level: INFO + handlers: + - console + loggers: + logging_example: + level: DEBUG + disable_existing_loggers: false + job_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][%(name)s][%(levelname)s] - %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + file: + class: logging.FileHandler + formatter: simple + filename: ${hydra.runtime.output_dir}/${hydra.job.name}.log + root: + level: INFO + handlers: + - console + - file + disable_existing_loggers: false + env: {} + mode: RUN + searchpath: [] + callbacks: {} + output_subdir: .hydra + overrides: + hydra: + - hydra.mode=RUN + task: + - inference.output_prefix=./ + - inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + - contigmap.contigs=[A1-250/0 150-150] + - inference.output_prefix=testoutputs/binder_test + - inference.num_designs=1 + job: + name: run_inference + chdir: null + override_dirname: contigmap.contigs=[A1-250/0 150-150],inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb,inference.num_designs=1,inference.output_prefix=./,inference.output_prefix=testoutputs/binder_test + id: ??? + num: ??? + config_name: base + env_set: {} + env_copy: [] + config: + override_dirname: + kv_sep: '=' + item_sep: ',' + exclude_keys: [] + runtime: + version: 1.3.2 + version_base: '1.3' + cwd: C:\Users\adminisiterlator\RFdiffusion + config_sources: + - path: hydra.conf + schema: pkg + provider: hydra + - path: C:\Users\adminisiterlator\RFdiffusion\config\inference + schema: file + provider: main + - path: '' + schema: structured + provider: schema + output_dir: C:\Users\adminisiterlator\RFdiffusion\outputs\2023-09-20\18-21-07 + choices: + hydra/env: default + hydra/callbacks: null + hydra/job_logging: default + hydra/hydra_logging: default + hydra/hydra_help: default + hydra/help: default + hydra/sweeper: basic + hydra/launcher: basic + hydra/output: default + verbose: false diff --git a/RFdiffusion/outputs/2023-09-20/18-21-07/.hydra/overrides.yaml b/RFdiffusion/outputs/2023-09-20/18-21-07/.hydra/overrides.yaml new file mode 100644 index 0000000000000000000000000000000000000000..99601a35317632500aace76a8cf657bb88ae3ea8 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-20/18-21-07/.hydra/overrides.yaml @@ -0,0 +1,5 @@ +- inference.output_prefix=./ +- inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb +- contigmap.contigs=[A1-250/0 150-150] +- inference.output_prefix=testoutputs/binder_test +- inference.num_designs=1 diff --git a/RFdiffusion/outputs/2023-09-20/18-21-07/run_inference.log b/RFdiffusion/outputs/2023-09-20/18-21-07/run_inference.log new file mode 100644 index 0000000000000000000000000000000000000000..74d250940f9d56d83638f0126f4344150df98dc5 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-20/18-21-07/run_inference.log @@ -0,0 +1,8 @@ +[2023-09-20 18:21:07,162][__main__][INFO] - //////////////////////////////////////////////// +[2023-09-20 18:21:07,163][__main__][INFO] - ///// NO GPU DETECTED! Falling back to CPU ///// +[2023-09-20 18:21:07,164][__main__][INFO] - //////////////////////////////////////////////// +[2023-09-20 18:21:07,165][rfdiffusion.inference.model_runners][INFO] - Reading checkpoint from C:\Users\adminisiterlator\RFdiffusion\rfdiffusion\inference/../../models/Base_ckpt.pt +[2023-09-20 18:21:10,328][rfdiffusion.inference.model_runners][INFO] - Loading checkpoint. +[2023-09-20 18:21:10,663][rfdiffusion.diffusion][INFO] - Using cached IGSO3. +[2023-09-20 18:21:10,726][__main__][INFO] - Making design testoutputs/binder_test_0 +[2023-09-20 18:21:10,775][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A1-250/0 150-150'] diff --git a/RFdiffusion/outputs/2023-09-20/18-29-12/.hydra/config.yaml b/RFdiffusion/outputs/2023-09-20/18-29-12/.hydra/config.yaml new file mode 100644 index 0000000000000000000000000000000000000000..874651b0233297a5cf23fe7112da260a9a8b7115 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-20/18-29-12/.hydra/config.yaml @@ -0,0 +1,125 @@ +inference: + input_pdb: C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + num_designs: 1 + design_startnum: 0 + ckpt_override_path: null + symmetry: null + recenter: true + radius: 10.0 + model_only_neighbors: false + output_prefix: testoutputs/binder_test + write_trajectory: true + scaffold_guided: false + model_runner: SelfConditioning + cautious: true + align_motif: true + symmetric_self_cond: true + final_step: 1 + deterministic: false + trb_save_ckpt_path: null + schedule_directory_path: null + model_directory_path: null +contigmap: + contigs: + - A1-250/0 150-150 + inpaint_seq: null + provide_seq: null + length: null +model: + n_extra_block: 4 + n_main_block: 32 + n_ref_block: 4 + d_msa: 256 + d_msa_full: 64 + d_pair: 128 + d_templ: 64 + n_head_msa: 8 + n_head_pair: 4 + n_head_templ: 4 + d_hidden: 32 + d_hidden_templ: 32 + p_drop: 0.15 + SE3_param_full: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 8 + l0_out_features: 8 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 32 + SE3_param_topk: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 64 + l0_out_features: 64 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 64 + freeze_track_motif: false + use_motif_timestep: false +diffuser: + T: 50 + b_0: 0.01 + b_T: 0.07 + schedule_type: linear + so3_type: igso3 + crd_scale: 0.25 + partial_T: null + so3_schedule_type: linear + min_b: 1.5 + max_b: 2.5 + min_sigma: 0.02 + max_sigma: 1.5 +denoiser: + noise_scale_ca: 1 + final_noise_scale_ca: 1 + ca_noise_schedule_type: constant + noise_scale_frame: 1 + final_noise_scale_frame: 1 + frame_noise_schedule_type: constant +ppi: + hotspot_res: null +potentials: + guiding_potentials: null + guide_scale: 10 + guide_decay: constant + olig_inter_all: null + olig_intra_all: null + olig_custom_contact: null + substrate: null +contig_settings: + ref_idx: null + hal_idx: null + idx_rf: null + inpaint_seq_tensor: null +preprocess: + sidechain_input: false + motif_sidechain_input: true + d_t1d: 22 + d_t2d: 44 + prob_self_cond: 0.0 + str_self_cond: false + predict_previous: false +logging: + inputs: false +scaffoldguided: + scaffoldguided: false + target_pdb: false + target_path: null + scaffold_list: null + scaffold_dir: null + sampled_insertion: 0 + sampled_N: 0 + sampled_C: 0 + ss_mask: 0 + systematic: false + target_ss: null + target_adj: null + mask_loops: true + contig_crop: null diff --git a/RFdiffusion/outputs/2023-09-20/18-29-12/.hydra/hydra.yaml b/RFdiffusion/outputs/2023-09-20/18-29-12/.hydra/hydra.yaml new file mode 100644 index 0000000000000000000000000000000000000000..7d1e4a1c93ff6e0dedb5fed3d5f619d58c2d264c --- /dev/null +++ b/RFdiffusion/outputs/2023-09-20/18-29-12/.hydra/hydra.yaml @@ -0,0 +1,159 @@ +hydra: + run: + dir: outputs/${now:%Y-%m-%d}/${now:%H-%M-%S} + sweep: + dir: multirun/${now:%Y-%m-%d}/${now:%H-%M-%S} + subdir: ${hydra.job.num} + launcher: + _target_: hydra._internal.core_plugins.basic_launcher.BasicLauncher + sweeper: + _target_: hydra._internal.core_plugins.basic_sweeper.BasicSweeper + max_batch_size: null + params: null + help: + app_name: ${hydra.job.name} + header: '${hydra.help.app_name} is powered by Hydra. + + ' + footer: 'Powered by Hydra (https://hydra.cc) + + Use --hydra-help to view Hydra specific help + + ' + template: '${hydra.help.header} + + == Configuration groups == + + Compose your configuration from those groups (group=option) + + + $APP_CONFIG_GROUPS + + + == Config == + + Override anything in the config (foo.bar=value) + + + $CONFIG + + + ${hydra.help.footer} + + ' + hydra_help: + template: 'Hydra (${hydra.runtime.version}) + + See https://hydra.cc for more info. + + + == Flags == + + $FLAGS_HELP + + + == Configuration groups == + + Compose your configuration from those groups (For example, append hydra/job_logging=disabled + to command line) + + + $HYDRA_CONFIG_GROUPS + + + Use ''--cfg hydra'' to Show the Hydra config. + + ' + hydra_help: ??? + hydra_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][HYDRA] %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + root: + level: INFO + handlers: + - console + loggers: + logging_example: + level: DEBUG + disable_existing_loggers: false + job_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][%(name)s][%(levelname)s] - %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + file: + class: logging.FileHandler + formatter: simple + filename: ${hydra.runtime.output_dir}/${hydra.job.name}.log + root: + level: INFO + handlers: + - console + - file + disable_existing_loggers: false + env: {} + mode: RUN + searchpath: [] + callbacks: {} + output_subdir: .hydra + overrides: + hydra: + - hydra.mode=RUN + task: + - inference.output_prefix=./ + - inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + - contigmap.contigs=[A1-250/0 150-150] + - inference.output_prefix=testoutputs/binder_test + - inference.num_designs=1 + job: + name: run_inference + chdir: null + override_dirname: contigmap.contigs=[A1-250/0 150-150],inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb,inference.num_designs=1,inference.output_prefix=./,inference.output_prefix=testoutputs/binder_test + id: ??? + num: ??? + config_name: base + env_set: {} + env_copy: [] + config: + override_dirname: + kv_sep: '=' + item_sep: ',' + exclude_keys: [] + runtime: + version: 1.3.2 + version_base: '1.3' + cwd: C:\Users\adminisiterlator\RFdiffusion + config_sources: + - path: hydra.conf + schema: pkg + provider: hydra + - path: C:\Users\adminisiterlator\RFdiffusion\config\inference + schema: file + provider: main + - path: '' + schema: structured + provider: schema + output_dir: C:\Users\adminisiterlator\RFdiffusion\outputs\2023-09-20\18-29-12 + choices: + hydra/env: default + hydra/callbacks: null + hydra/job_logging: default + hydra/hydra_logging: default + hydra/hydra_help: default + hydra/help: default + hydra/sweeper: basic + hydra/launcher: basic + hydra/output: default + verbose: false diff --git a/RFdiffusion/outputs/2023-09-20/18-29-12/.hydra/overrides.yaml b/RFdiffusion/outputs/2023-09-20/18-29-12/.hydra/overrides.yaml new file mode 100644 index 0000000000000000000000000000000000000000..99601a35317632500aace76a8cf657bb88ae3ea8 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-20/18-29-12/.hydra/overrides.yaml @@ -0,0 +1,5 @@ +- inference.output_prefix=./ +- inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb +- contigmap.contigs=[A1-250/0 150-150] +- inference.output_prefix=testoutputs/binder_test +- inference.num_designs=1 diff --git a/RFdiffusion/outputs/2023-09-20/18-29-12/run_inference.log b/RFdiffusion/outputs/2023-09-20/18-29-12/run_inference.log new file mode 100644 index 0000000000000000000000000000000000000000..e96d6a36a3569b46edbacb4ac3357ded76882809 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-20/18-29-12/run_inference.log @@ -0,0 +1,8 @@ +[2023-09-20 18:29:12,786][__main__][INFO] - //////////////////////////////////////////////// +[2023-09-20 18:29:12,786][__main__][INFO] - ///// NO GPU DETECTED! Falling back to CPU ///// +[2023-09-20 18:29:12,787][__main__][INFO] - //////////////////////////////////////////////// +[2023-09-20 18:29:12,787][rfdiffusion.inference.model_runners][INFO] - Reading checkpoint from C:\Users\adminisiterlator\RFdiffusion\rfdiffusion\inference/../../models/Base_ckpt.pt +[2023-09-20 18:29:16,676][rfdiffusion.inference.model_runners][INFO] - Loading checkpoint. +[2023-09-20 18:29:17,131][rfdiffusion.diffusion][INFO] - Using cached IGSO3. +[2023-09-20 18:29:17,201][__main__][INFO] - Making design testoutputs/binder_test_0 +[2023-09-20 18:29:17,264][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A1-250/0 150-150'] diff --git a/RFdiffusion/outputs/2023-09-20/18-50-41/.hydra/config.yaml b/RFdiffusion/outputs/2023-09-20/18-50-41/.hydra/config.yaml new file mode 100644 index 0000000000000000000000000000000000000000..874651b0233297a5cf23fe7112da260a9a8b7115 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-20/18-50-41/.hydra/config.yaml @@ -0,0 +1,125 @@ +inference: + input_pdb: C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + num_designs: 1 + design_startnum: 0 + ckpt_override_path: null + symmetry: null + recenter: true + radius: 10.0 + model_only_neighbors: false + output_prefix: testoutputs/binder_test + write_trajectory: true + scaffold_guided: false + model_runner: SelfConditioning + cautious: true + align_motif: true + symmetric_self_cond: true + final_step: 1 + deterministic: false + trb_save_ckpt_path: null + schedule_directory_path: null + model_directory_path: null +contigmap: + contigs: + - A1-250/0 150-150 + inpaint_seq: null + provide_seq: null + length: null +model: + n_extra_block: 4 + n_main_block: 32 + n_ref_block: 4 + d_msa: 256 + d_msa_full: 64 + d_pair: 128 + d_templ: 64 + n_head_msa: 8 + n_head_pair: 4 + n_head_templ: 4 + d_hidden: 32 + d_hidden_templ: 32 + p_drop: 0.15 + SE3_param_full: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 8 + l0_out_features: 8 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 32 + SE3_param_topk: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 64 + l0_out_features: 64 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 64 + freeze_track_motif: false + use_motif_timestep: false +diffuser: + T: 50 + b_0: 0.01 + b_T: 0.07 + schedule_type: linear + so3_type: igso3 + crd_scale: 0.25 + partial_T: null + so3_schedule_type: linear + min_b: 1.5 + max_b: 2.5 + min_sigma: 0.02 + max_sigma: 1.5 +denoiser: + noise_scale_ca: 1 + final_noise_scale_ca: 1 + ca_noise_schedule_type: constant + noise_scale_frame: 1 + final_noise_scale_frame: 1 + frame_noise_schedule_type: constant +ppi: + hotspot_res: null +potentials: + guiding_potentials: null + guide_scale: 10 + guide_decay: constant + olig_inter_all: null + olig_intra_all: null + olig_custom_contact: null + substrate: null +contig_settings: + ref_idx: null + hal_idx: null + idx_rf: null + inpaint_seq_tensor: null +preprocess: + sidechain_input: false + motif_sidechain_input: true + d_t1d: 22 + d_t2d: 44 + prob_self_cond: 0.0 + str_self_cond: false + predict_previous: false +logging: + inputs: false +scaffoldguided: + scaffoldguided: false + target_pdb: false + target_path: null + scaffold_list: null + scaffold_dir: null + sampled_insertion: 0 + sampled_N: 0 + sampled_C: 0 + ss_mask: 0 + systematic: false + target_ss: null + target_adj: null + mask_loops: true + contig_crop: null diff --git a/RFdiffusion/outputs/2023-09-20/18-50-41/.hydra/hydra.yaml b/RFdiffusion/outputs/2023-09-20/18-50-41/.hydra/hydra.yaml new file mode 100644 index 0000000000000000000000000000000000000000..3667945fb620b149d1e7096dbe1483f747fb13e7 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-20/18-50-41/.hydra/hydra.yaml @@ -0,0 +1,159 @@ +hydra: + run: + dir: outputs/${now:%Y-%m-%d}/${now:%H-%M-%S} + sweep: + dir: multirun/${now:%Y-%m-%d}/${now:%H-%M-%S} + subdir: ${hydra.job.num} + launcher: + _target_: hydra._internal.core_plugins.basic_launcher.BasicLauncher + sweeper: + _target_: hydra._internal.core_plugins.basic_sweeper.BasicSweeper + max_batch_size: null + params: null + help: + app_name: ${hydra.job.name} + header: '${hydra.help.app_name} is powered by Hydra. + + ' + footer: 'Powered by Hydra (https://hydra.cc) + + Use --hydra-help to view Hydra specific help + + ' + template: '${hydra.help.header} + + == Configuration groups == + + Compose your configuration from those groups (group=option) + + + $APP_CONFIG_GROUPS + + + == Config == + + Override anything in the config (foo.bar=value) + + + $CONFIG + + + ${hydra.help.footer} + + ' + hydra_help: + template: 'Hydra (${hydra.runtime.version}) + + See https://hydra.cc for more info. + + + == Flags == + + $FLAGS_HELP + + + == Configuration groups == + + Compose your configuration from those groups (For example, append hydra/job_logging=disabled + to command line) + + + $HYDRA_CONFIG_GROUPS + + + Use ''--cfg hydra'' to Show the Hydra config. + + ' + hydra_help: ??? + hydra_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][HYDRA] %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + root: + level: INFO + handlers: + - console + loggers: + logging_example: + level: DEBUG + disable_existing_loggers: false + job_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][%(name)s][%(levelname)s] - %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + file: + class: logging.FileHandler + formatter: simple + filename: ${hydra.runtime.output_dir}/${hydra.job.name}.log + root: + level: INFO + handlers: + - console + - file + disable_existing_loggers: false + env: {} + mode: RUN + searchpath: [] + callbacks: {} + output_subdir: .hydra + overrides: + hydra: + - hydra.mode=RUN + task: + - inference.output_prefix=./ + - inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + - contigmap.contigs=[A1-250/0 150-150] + - inference.output_prefix=testoutputs/binder_test + - inference.num_designs=1 + job: + name: run_inference + chdir: null + override_dirname: contigmap.contigs=[A1-250/0 150-150],inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb,inference.num_designs=1,inference.output_prefix=./,inference.output_prefix=testoutputs/binder_test + id: ??? + num: ??? + config_name: base + env_set: {} + env_copy: [] + config: + override_dirname: + kv_sep: '=' + item_sep: ',' + exclude_keys: [] + runtime: + version: 1.3.2 + version_base: '1.3' + cwd: C:\Users\adminisiterlator\RFdiffusion + config_sources: + - path: hydra.conf + schema: pkg + provider: hydra + - path: C:\Users\adminisiterlator\RFdiffusion\config\inference + schema: file + provider: main + - path: '' + schema: structured + provider: schema + output_dir: C:\Users\adminisiterlator\RFdiffusion\outputs\2023-09-20\18-50-41 + choices: + hydra/env: default + hydra/callbacks: null + hydra/job_logging: default + hydra/hydra_logging: default + hydra/hydra_help: default + hydra/help: default + hydra/sweeper: basic + hydra/launcher: basic + hydra/output: default + verbose: false diff --git a/RFdiffusion/outputs/2023-09-20/18-50-41/.hydra/overrides.yaml b/RFdiffusion/outputs/2023-09-20/18-50-41/.hydra/overrides.yaml new file mode 100644 index 0000000000000000000000000000000000000000..99601a35317632500aace76a8cf657bb88ae3ea8 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-20/18-50-41/.hydra/overrides.yaml @@ -0,0 +1,5 @@ +- inference.output_prefix=./ +- inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb +- contigmap.contigs=[A1-250/0 150-150] +- inference.output_prefix=testoutputs/binder_test +- inference.num_designs=1 diff --git a/RFdiffusion/outputs/2023-09-20/18-50-41/run_inference.log b/RFdiffusion/outputs/2023-09-20/18-50-41/run_inference.log new file mode 100644 index 0000000000000000000000000000000000000000..32a9fd48210d328997395881a05988650b713023 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-20/18-50-41/run_inference.log @@ -0,0 +1,9 @@ +[2023-09-20 18:50:41,622][__main__][INFO] - //////////////////////////////////////////////// +[2023-09-20 18:50:41,623][__main__][INFO] - ///// NO GPU DETECTED! Falling back to CPU ///// +[2023-09-20 18:50:41,623][__main__][INFO] - //////////////////////////////////////////////// +[2023-09-20 18:50:41,624][rfdiffusion.inference.model_runners][INFO] - Reading checkpoint from C:\Users\adminisiterlator\RFdiffusion\rfdiffusion\inference/../../models/Base_ckpt.pt +[2023-09-20 18:50:45,395][rfdiffusion.inference.model_runners][INFO] - Loading checkpoint. +[2023-09-20 18:50:45,789][rfdiffusion.diffusion][INFO] - Using cached IGSO3. +[2023-09-20 18:50:45,857][__main__][INFO] - Making design testoutputs/binder_test_0 +[2023-09-20 18:50:45,936][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A1-250/0 150-150'] +[2023-09-20 18:50:46,080][rfdiffusion.inference.model_runners][INFO] - Sequence init: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC diff --git a/RFdiffusion/outputs/2023-09-20/19-11-02/.hydra/config.yaml b/RFdiffusion/outputs/2023-09-20/19-11-02/.hydra/config.yaml new file mode 100644 index 0000000000000000000000000000000000000000..874651b0233297a5cf23fe7112da260a9a8b7115 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-20/19-11-02/.hydra/config.yaml @@ -0,0 +1,125 @@ +inference: + input_pdb: C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + num_designs: 1 + design_startnum: 0 + ckpt_override_path: null + symmetry: null + recenter: true + radius: 10.0 + model_only_neighbors: false + output_prefix: testoutputs/binder_test + write_trajectory: true + scaffold_guided: false + model_runner: SelfConditioning + cautious: true + align_motif: true + symmetric_self_cond: true + final_step: 1 + deterministic: false + trb_save_ckpt_path: null + schedule_directory_path: null + model_directory_path: null +contigmap: + contigs: + - A1-250/0 150-150 + inpaint_seq: null + provide_seq: null + length: null +model: + n_extra_block: 4 + n_main_block: 32 + n_ref_block: 4 + d_msa: 256 + d_msa_full: 64 + d_pair: 128 + d_templ: 64 + n_head_msa: 8 + n_head_pair: 4 + n_head_templ: 4 + d_hidden: 32 + d_hidden_templ: 32 + p_drop: 0.15 + SE3_param_full: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 8 + l0_out_features: 8 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 32 + SE3_param_topk: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 64 + l0_out_features: 64 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 64 + freeze_track_motif: false + use_motif_timestep: false +diffuser: + T: 50 + b_0: 0.01 + b_T: 0.07 + schedule_type: linear + so3_type: igso3 + crd_scale: 0.25 + partial_T: null + so3_schedule_type: linear + min_b: 1.5 + max_b: 2.5 + min_sigma: 0.02 + max_sigma: 1.5 +denoiser: + noise_scale_ca: 1 + final_noise_scale_ca: 1 + ca_noise_schedule_type: constant + noise_scale_frame: 1 + final_noise_scale_frame: 1 + frame_noise_schedule_type: constant +ppi: + hotspot_res: null +potentials: + guiding_potentials: null + guide_scale: 10 + guide_decay: constant + olig_inter_all: null + olig_intra_all: null + olig_custom_contact: null + substrate: null +contig_settings: + ref_idx: null + hal_idx: null + idx_rf: null + inpaint_seq_tensor: null +preprocess: + sidechain_input: false + motif_sidechain_input: true + d_t1d: 22 + d_t2d: 44 + prob_self_cond: 0.0 + str_self_cond: false + predict_previous: false +logging: + inputs: false +scaffoldguided: + scaffoldguided: false + target_pdb: false + target_path: null + scaffold_list: null + scaffold_dir: null + sampled_insertion: 0 + sampled_N: 0 + sampled_C: 0 + ss_mask: 0 + systematic: false + target_ss: null + target_adj: null + mask_loops: true + contig_crop: null diff --git a/RFdiffusion/outputs/2023-09-20/19-11-02/.hydra/hydra.yaml b/RFdiffusion/outputs/2023-09-20/19-11-02/.hydra/hydra.yaml new file mode 100644 index 0000000000000000000000000000000000000000..73b53e47023bb59fa2e8a8c940678be17740122e --- /dev/null +++ b/RFdiffusion/outputs/2023-09-20/19-11-02/.hydra/hydra.yaml @@ -0,0 +1,159 @@ +hydra: + run: + dir: outputs/${now:%Y-%m-%d}/${now:%H-%M-%S} + sweep: + dir: multirun/${now:%Y-%m-%d}/${now:%H-%M-%S} + subdir: ${hydra.job.num} + launcher: + _target_: hydra._internal.core_plugins.basic_launcher.BasicLauncher + sweeper: + _target_: hydra._internal.core_plugins.basic_sweeper.BasicSweeper + max_batch_size: null + params: null + help: + app_name: ${hydra.job.name} + header: '${hydra.help.app_name} is powered by Hydra. + + ' + footer: 'Powered by Hydra (https://hydra.cc) + + Use --hydra-help to view Hydra specific help + + ' + template: '${hydra.help.header} + + == Configuration groups == + + Compose your configuration from those groups (group=option) + + + $APP_CONFIG_GROUPS + + + == Config == + + Override anything in the config (foo.bar=value) + + + $CONFIG + + + ${hydra.help.footer} + + ' + hydra_help: + template: 'Hydra (${hydra.runtime.version}) + + See https://hydra.cc for more info. + + + == Flags == + + $FLAGS_HELP + + + == Configuration groups == + + Compose your configuration from those groups (For example, append hydra/job_logging=disabled + to command line) + + + $HYDRA_CONFIG_GROUPS + + + Use ''--cfg hydra'' to Show the Hydra config. + + ' + hydra_help: ??? + hydra_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][HYDRA] %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + root: + level: INFO + handlers: + - console + loggers: + logging_example: + level: DEBUG + disable_existing_loggers: false + job_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][%(name)s][%(levelname)s] - %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + file: + class: logging.FileHandler + formatter: simple + filename: ${hydra.runtime.output_dir}/${hydra.job.name}.log + root: + level: INFO + handlers: + - console + - file + disable_existing_loggers: false + env: {} + mode: RUN + searchpath: [] + callbacks: {} + output_subdir: .hydra + overrides: + hydra: + - hydra.mode=RUN + task: + - inference.output_prefix=./ + - inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + - contigmap.contigs=[A1-250/0 150-150] + - inference.output_prefix=testoutputs/binder_test + - inference.num_designs=1 + job: + name: run_inference + chdir: null + override_dirname: contigmap.contigs=[A1-250/0 150-150],inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb,inference.num_designs=1,inference.output_prefix=./,inference.output_prefix=testoutputs/binder_test + id: ??? + num: ??? + config_name: base + env_set: {} + env_copy: [] + config: + override_dirname: + kv_sep: '=' + item_sep: ',' + exclude_keys: [] + runtime: + version: 1.3.2 + version_base: '1.3' + cwd: C:\Users\adminisiterlator\RFdiffusion + config_sources: + - path: hydra.conf + schema: pkg + provider: hydra + - path: C:\Users\adminisiterlator\RFdiffusion\config\inference + schema: file + provider: main + - path: '' + schema: structured + provider: schema + output_dir: C:\Users\adminisiterlator\RFdiffusion\outputs\2023-09-20\19-11-02 + choices: + hydra/env: default + hydra/callbacks: null + hydra/job_logging: default + hydra/hydra_logging: default + hydra/hydra_help: default + hydra/help: default + hydra/sweeper: basic + hydra/launcher: basic + hydra/output: default + verbose: false diff --git a/RFdiffusion/outputs/2023-09-20/19-11-02/.hydra/overrides.yaml b/RFdiffusion/outputs/2023-09-20/19-11-02/.hydra/overrides.yaml new file mode 100644 index 0000000000000000000000000000000000000000..99601a35317632500aace76a8cf657bb88ae3ea8 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-20/19-11-02/.hydra/overrides.yaml @@ -0,0 +1,5 @@ +- inference.output_prefix=./ +- inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb +- contigmap.contigs=[A1-250/0 150-150] +- inference.output_prefix=testoutputs/binder_test +- inference.num_designs=1 diff --git a/RFdiffusion/outputs/2023-09-20/19-11-02/run_inference.log b/RFdiffusion/outputs/2023-09-20/19-11-02/run_inference.log new file mode 100644 index 0000000000000000000000000000000000000000..02babf60de2fbacbd35ff186641c633ac6e0f72a --- /dev/null +++ b/RFdiffusion/outputs/2023-09-20/19-11-02/run_inference.log @@ -0,0 +1,9 @@ +[2023-09-20 19:11:03,014][__main__][INFO] - //////////////////////////////////////////////// +[2023-09-20 19:11:03,015][__main__][INFO] - ///// NO GPU DETECTED! Falling back to CPU ///// +[2023-09-20 19:11:03,015][__main__][INFO] - //////////////////////////////////////////////// +[2023-09-20 19:11:03,016][rfdiffusion.inference.model_runners][INFO] - Reading checkpoint from C:\Users\adminisiterlator\RFdiffusion\rfdiffusion\inference/../../models/Base_ckpt.pt +[2023-09-20 19:11:07,662][rfdiffusion.inference.model_runners][INFO] - Loading checkpoint. +[2023-09-20 19:11:08,122][rfdiffusion.diffusion][INFO] - Using cached IGSO3. +[2023-09-20 19:11:08,238][__main__][INFO] - Making design testoutputs/binder_test_0 +[2023-09-20 19:11:08,328][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A1-250/0 150-150'] +[2023-09-20 19:11:08,475][rfdiffusion.inference.model_runners][INFO] - Sequence init: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC diff --git a/RFdiffusion/outputs/2023-09-20/19-44-57/.hydra/config.yaml b/RFdiffusion/outputs/2023-09-20/19-44-57/.hydra/config.yaml new file mode 100644 index 0000000000000000000000000000000000000000..874651b0233297a5cf23fe7112da260a9a8b7115 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-20/19-44-57/.hydra/config.yaml @@ -0,0 +1,125 @@ +inference: + input_pdb: C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + num_designs: 1 + design_startnum: 0 + ckpt_override_path: null + symmetry: null + recenter: true + radius: 10.0 + model_only_neighbors: false + output_prefix: testoutputs/binder_test + write_trajectory: true + scaffold_guided: false + model_runner: SelfConditioning + cautious: true + align_motif: true + symmetric_self_cond: true + final_step: 1 + deterministic: false + trb_save_ckpt_path: null + schedule_directory_path: null + model_directory_path: null +contigmap: + contigs: + - A1-250/0 150-150 + inpaint_seq: null + provide_seq: null + length: null +model: + n_extra_block: 4 + n_main_block: 32 + n_ref_block: 4 + d_msa: 256 + d_msa_full: 64 + d_pair: 128 + d_templ: 64 + n_head_msa: 8 + n_head_pair: 4 + n_head_templ: 4 + d_hidden: 32 + d_hidden_templ: 32 + p_drop: 0.15 + SE3_param_full: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 8 + l0_out_features: 8 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 32 + SE3_param_topk: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 64 + l0_out_features: 64 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 64 + freeze_track_motif: false + use_motif_timestep: false +diffuser: + T: 50 + b_0: 0.01 + b_T: 0.07 + schedule_type: linear + so3_type: igso3 + crd_scale: 0.25 + partial_T: null + so3_schedule_type: linear + min_b: 1.5 + max_b: 2.5 + min_sigma: 0.02 + max_sigma: 1.5 +denoiser: + noise_scale_ca: 1 + final_noise_scale_ca: 1 + ca_noise_schedule_type: constant + noise_scale_frame: 1 + final_noise_scale_frame: 1 + frame_noise_schedule_type: constant +ppi: + hotspot_res: null +potentials: + guiding_potentials: null + guide_scale: 10 + guide_decay: constant + olig_inter_all: null + olig_intra_all: null + olig_custom_contact: null + substrate: null +contig_settings: + ref_idx: null + hal_idx: null + idx_rf: null + inpaint_seq_tensor: null +preprocess: + sidechain_input: false + motif_sidechain_input: true + d_t1d: 22 + d_t2d: 44 + prob_self_cond: 0.0 + str_self_cond: false + predict_previous: false +logging: + inputs: false +scaffoldguided: + scaffoldguided: false + target_pdb: false + target_path: null + scaffold_list: null + scaffold_dir: null + sampled_insertion: 0 + sampled_N: 0 + sampled_C: 0 + ss_mask: 0 + systematic: false + target_ss: null + target_adj: null + mask_loops: true + contig_crop: null diff --git a/RFdiffusion/outputs/2023-09-20/19-44-57/.hydra/hydra.yaml b/RFdiffusion/outputs/2023-09-20/19-44-57/.hydra/hydra.yaml new file mode 100644 index 0000000000000000000000000000000000000000..dada075257cbf383e730ee414ece7618bfab49ea --- /dev/null +++ b/RFdiffusion/outputs/2023-09-20/19-44-57/.hydra/hydra.yaml @@ -0,0 +1,159 @@ +hydra: + run: + dir: outputs/${now:%Y-%m-%d}/${now:%H-%M-%S} + sweep: + dir: multirun/${now:%Y-%m-%d}/${now:%H-%M-%S} + subdir: ${hydra.job.num} + launcher: + _target_: hydra._internal.core_plugins.basic_launcher.BasicLauncher + sweeper: + _target_: hydra._internal.core_plugins.basic_sweeper.BasicSweeper + max_batch_size: null + params: null + help: + app_name: ${hydra.job.name} + header: '${hydra.help.app_name} is powered by Hydra. + + ' + footer: 'Powered by Hydra (https://hydra.cc) + + Use --hydra-help to view Hydra specific help + + ' + template: '${hydra.help.header} + + == Configuration groups == + + Compose your configuration from those groups (group=option) + + + $APP_CONFIG_GROUPS + + + == Config == + + Override anything in the config (foo.bar=value) + + + $CONFIG + + + ${hydra.help.footer} + + ' + hydra_help: + template: 'Hydra (${hydra.runtime.version}) + + See https://hydra.cc for more info. + + + == Flags == + + $FLAGS_HELP + + + == Configuration groups == + + Compose your configuration from those groups (For example, append hydra/job_logging=disabled + to command line) + + + $HYDRA_CONFIG_GROUPS + + + Use ''--cfg hydra'' to Show the Hydra config. + + ' + hydra_help: ??? + hydra_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][HYDRA] %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + root: + level: INFO + handlers: + - console + loggers: + logging_example: + level: DEBUG + disable_existing_loggers: false + job_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][%(name)s][%(levelname)s] - %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + file: + class: logging.FileHandler + formatter: simple + filename: ${hydra.runtime.output_dir}/${hydra.job.name}.log + root: + level: INFO + handlers: + - console + - file + disable_existing_loggers: false + env: {} + mode: RUN + searchpath: [] + callbacks: {} + output_subdir: .hydra + overrides: + hydra: + - hydra.mode=RUN + task: + - inference.output_prefix=./ + - inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + - contigmap.contigs=[A1-250/0 150-150] + - inference.output_prefix=testoutputs/binder_test + - inference.num_designs=1 + job: + name: run_inference + chdir: null + override_dirname: contigmap.contigs=[A1-250/0 150-150],inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb,inference.num_designs=1,inference.output_prefix=./,inference.output_prefix=testoutputs/binder_test + id: ??? + num: ??? + config_name: base + env_set: {} + env_copy: [] + config: + override_dirname: + kv_sep: '=' + item_sep: ',' + exclude_keys: [] + runtime: + version: 1.3.2 + version_base: '1.3' + cwd: C:\Users\adminisiterlator\RFdiffusion + config_sources: + - path: hydra.conf + schema: pkg + provider: hydra + - path: C:\Users\adminisiterlator\RFdiffusion\config\inference + schema: file + provider: main + - path: '' + schema: structured + provider: schema + output_dir: C:\Users\adminisiterlator\RFdiffusion\outputs\2023-09-20\19-44-57 + choices: + hydra/env: default + hydra/callbacks: null + hydra/job_logging: default + hydra/hydra_logging: default + hydra/hydra_help: default + hydra/help: default + hydra/sweeper: basic + hydra/launcher: basic + hydra/output: default + verbose: false diff --git a/RFdiffusion/outputs/2023-09-20/19-44-57/.hydra/overrides.yaml b/RFdiffusion/outputs/2023-09-20/19-44-57/.hydra/overrides.yaml new file mode 100644 index 0000000000000000000000000000000000000000..99601a35317632500aace76a8cf657bb88ae3ea8 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-20/19-44-57/.hydra/overrides.yaml @@ -0,0 +1,5 @@ +- inference.output_prefix=./ +- inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb +- contigmap.contigs=[A1-250/0 150-150] +- inference.output_prefix=testoutputs/binder_test +- inference.num_designs=1 diff --git a/RFdiffusion/outputs/2023-09-20/19-44-57/run_inference.log b/RFdiffusion/outputs/2023-09-20/19-44-57/run_inference.log new file mode 100644 index 0000000000000000000000000000000000000000..f4b15a28600be5f9f0841ab1f960db995c5b8d60 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-20/19-44-57/run_inference.log @@ -0,0 +1,9 @@ +[2023-09-20 19:44:58,025][__main__][INFO] - //////////////////////////////////////////////// +[2023-09-20 19:44:58,026][__main__][INFO] - ///// NO GPU DETECTED! Falling back to CPU ///// +[2023-09-20 19:44:58,026][__main__][INFO] - //////////////////////////////////////////////// +[2023-09-20 19:44:58,028][rfdiffusion.inference.model_runners][INFO] - Reading checkpoint from C:\Users\adminisiterlator\RFdiffusion\rfdiffusion\inference/../../models/Base_ckpt.pt +[2023-09-20 19:45:02,277][rfdiffusion.inference.model_runners][INFO] - Loading checkpoint. +[2023-09-20 19:45:02,684][rfdiffusion.diffusion][INFO] - Using cached IGSO3. +[2023-09-20 19:45:02,774][__main__][INFO] - Making design testoutputs/binder_test_0 +[2023-09-20 19:45:02,841][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A1-250/0 150-150'] +[2023-09-20 19:45:03,002][rfdiffusion.inference.model_runners][INFO] - Sequence init: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC diff --git a/RFdiffusion/outputs/2023-09-20/19-54-34/.hydra/config.yaml b/RFdiffusion/outputs/2023-09-20/19-54-34/.hydra/config.yaml new file mode 100644 index 0000000000000000000000000000000000000000..874651b0233297a5cf23fe7112da260a9a8b7115 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-20/19-54-34/.hydra/config.yaml @@ -0,0 +1,125 @@ +inference: + input_pdb: C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + num_designs: 1 + design_startnum: 0 + ckpt_override_path: null + symmetry: null + recenter: true + radius: 10.0 + model_only_neighbors: false + output_prefix: testoutputs/binder_test + write_trajectory: true + scaffold_guided: false + model_runner: SelfConditioning + cautious: true + align_motif: true + symmetric_self_cond: true + final_step: 1 + deterministic: false + trb_save_ckpt_path: null + schedule_directory_path: null + model_directory_path: null +contigmap: + contigs: + - A1-250/0 150-150 + inpaint_seq: null + provide_seq: null + length: null +model: + n_extra_block: 4 + n_main_block: 32 + n_ref_block: 4 + d_msa: 256 + d_msa_full: 64 + d_pair: 128 + d_templ: 64 + n_head_msa: 8 + n_head_pair: 4 + n_head_templ: 4 + d_hidden: 32 + d_hidden_templ: 32 + p_drop: 0.15 + SE3_param_full: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 8 + l0_out_features: 8 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 32 + SE3_param_topk: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 64 + l0_out_features: 64 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 64 + freeze_track_motif: false + use_motif_timestep: false +diffuser: + T: 50 + b_0: 0.01 + b_T: 0.07 + schedule_type: linear + so3_type: igso3 + crd_scale: 0.25 + partial_T: null + so3_schedule_type: linear + min_b: 1.5 + max_b: 2.5 + min_sigma: 0.02 + max_sigma: 1.5 +denoiser: + noise_scale_ca: 1 + final_noise_scale_ca: 1 + ca_noise_schedule_type: constant + noise_scale_frame: 1 + final_noise_scale_frame: 1 + frame_noise_schedule_type: constant +ppi: + hotspot_res: null +potentials: + guiding_potentials: null + guide_scale: 10 + guide_decay: constant + olig_inter_all: null + olig_intra_all: null + olig_custom_contact: null + substrate: null +contig_settings: + ref_idx: null + hal_idx: null + idx_rf: null + inpaint_seq_tensor: null +preprocess: + sidechain_input: false + motif_sidechain_input: true + d_t1d: 22 + d_t2d: 44 + prob_self_cond: 0.0 + str_self_cond: false + predict_previous: false +logging: + inputs: false +scaffoldguided: + scaffoldguided: false + target_pdb: false + target_path: null + scaffold_list: null + scaffold_dir: null + sampled_insertion: 0 + sampled_N: 0 + sampled_C: 0 + ss_mask: 0 + systematic: false + target_ss: null + target_adj: null + mask_loops: true + contig_crop: null diff --git a/RFdiffusion/outputs/2023-09-20/19-54-34/.hydra/hydra.yaml b/RFdiffusion/outputs/2023-09-20/19-54-34/.hydra/hydra.yaml new file mode 100644 index 0000000000000000000000000000000000000000..19d86ad2638deb6db3c78ffdcb2e646fd389f778 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-20/19-54-34/.hydra/hydra.yaml @@ -0,0 +1,159 @@ +hydra: + run: + dir: outputs/${now:%Y-%m-%d}/${now:%H-%M-%S} + sweep: + dir: multirun/${now:%Y-%m-%d}/${now:%H-%M-%S} + subdir: ${hydra.job.num} + launcher: + _target_: hydra._internal.core_plugins.basic_launcher.BasicLauncher + sweeper: + _target_: hydra._internal.core_plugins.basic_sweeper.BasicSweeper + max_batch_size: null + params: null + help: + app_name: ${hydra.job.name} + header: '${hydra.help.app_name} is powered by Hydra. + + ' + footer: 'Powered by Hydra (https://hydra.cc) + + Use --hydra-help to view Hydra specific help + + ' + template: '${hydra.help.header} + + == Configuration groups == + + Compose your configuration from those groups (group=option) + + + $APP_CONFIG_GROUPS + + + == Config == + + Override anything in the config (foo.bar=value) + + + $CONFIG + + + ${hydra.help.footer} + + ' + hydra_help: + template: 'Hydra (${hydra.runtime.version}) + + See https://hydra.cc for more info. + + + == Flags == + + $FLAGS_HELP + + + == Configuration groups == + + Compose your configuration from those groups (For example, append hydra/job_logging=disabled + to command line) + + + $HYDRA_CONFIG_GROUPS + + + Use ''--cfg hydra'' to Show the Hydra config. + + ' + hydra_help: ??? + hydra_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][HYDRA] %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + root: + level: INFO + handlers: + - console + loggers: + logging_example: + level: DEBUG + disable_existing_loggers: false + job_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][%(name)s][%(levelname)s] - %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + file: + class: logging.FileHandler + formatter: simple + filename: ${hydra.runtime.output_dir}/${hydra.job.name}.log + root: + level: INFO + handlers: + - console + - file + disable_existing_loggers: false + env: {} + mode: RUN + searchpath: [] + callbacks: {} + output_subdir: .hydra + overrides: + hydra: + - hydra.mode=RUN + task: + - inference.output_prefix=./ + - inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + - contigmap.contigs=[A1-250/0 150-150] + - inference.output_prefix=testoutputs/binder_test + - inference.num_designs=1 + job: + name: run_inference + chdir: null + override_dirname: contigmap.contigs=[A1-250/0 150-150],inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb,inference.num_designs=1,inference.output_prefix=./,inference.output_prefix=testoutputs/binder_test + id: ??? + num: ??? + config_name: base + env_set: {} + env_copy: [] + config: + override_dirname: + kv_sep: '=' + item_sep: ',' + exclude_keys: [] + runtime: + version: 1.3.2 + version_base: '1.3' + cwd: C:\Users\adminisiterlator\RFdiffusion + config_sources: + - path: hydra.conf + schema: pkg + provider: hydra + - path: C:\Users\adminisiterlator\RFdiffusion\config\inference + schema: file + provider: main + - path: '' + schema: structured + provider: schema + output_dir: C:\Users\adminisiterlator\RFdiffusion\outputs\2023-09-20\19-54-34 + choices: + hydra/env: default + hydra/callbacks: null + hydra/job_logging: default + hydra/hydra_logging: default + hydra/hydra_help: default + hydra/help: default + hydra/sweeper: basic + hydra/launcher: basic + hydra/output: default + verbose: false diff --git a/RFdiffusion/outputs/2023-09-20/19-54-34/.hydra/overrides.yaml b/RFdiffusion/outputs/2023-09-20/19-54-34/.hydra/overrides.yaml new file mode 100644 index 0000000000000000000000000000000000000000..99601a35317632500aace76a8cf657bb88ae3ea8 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-20/19-54-34/.hydra/overrides.yaml @@ -0,0 +1,5 @@ +- inference.output_prefix=./ +- inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb +- contigmap.contigs=[A1-250/0 150-150] +- inference.output_prefix=testoutputs/binder_test +- inference.num_designs=1 diff --git a/RFdiffusion/outputs/2023-09-20/19-54-34/run_inference.log b/RFdiffusion/outputs/2023-09-20/19-54-34/run_inference.log new file mode 100644 index 0000000000000000000000000000000000000000..a0fb8db581890ee0d242239ff0c9e70057016f1c --- /dev/null +++ b/RFdiffusion/outputs/2023-09-20/19-54-34/run_inference.log @@ -0,0 +1,9 @@ +[2023-09-20 19:54:34,167][__main__][INFO] - //////////////////////////////////////////////// +[2023-09-20 19:54:34,168][__main__][INFO] - ///// NO GPU DETECTED! Falling back to CPU ///// +[2023-09-20 19:54:34,169][__main__][INFO] - //////////////////////////////////////////////// +[2023-09-20 19:54:34,172][rfdiffusion.inference.model_runners][INFO] - Reading checkpoint from C:\Users\adminisiterlator\RFdiffusion\rfdiffusion\inference/../../models/Base_ckpt.pt +[2023-09-20 19:54:38,955][rfdiffusion.inference.model_runners][INFO] - Loading checkpoint. +[2023-09-20 19:54:39,362][rfdiffusion.diffusion][INFO] - Using cached IGSO3. +[2023-09-20 19:54:39,452][__main__][INFO] - Making design testoutputs/binder_test_0 +[2023-09-20 19:54:39,535][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A1-250/0 150-150'] +[2023-09-20 19:54:39,724][rfdiffusion.inference.model_runners][INFO] - Sequence init: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC diff --git a/RFdiffusion/outputs/2023-09-20/20-08-51/.hydra/config.yaml b/RFdiffusion/outputs/2023-09-20/20-08-51/.hydra/config.yaml new file mode 100644 index 0000000000000000000000000000000000000000..874651b0233297a5cf23fe7112da260a9a8b7115 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-20/20-08-51/.hydra/config.yaml @@ -0,0 +1,125 @@ +inference: + input_pdb: C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + num_designs: 1 + design_startnum: 0 + ckpt_override_path: null + symmetry: null + recenter: true + radius: 10.0 + model_only_neighbors: false + output_prefix: testoutputs/binder_test + write_trajectory: true + scaffold_guided: false + model_runner: SelfConditioning + cautious: true + align_motif: true + symmetric_self_cond: true + final_step: 1 + deterministic: false + trb_save_ckpt_path: null + schedule_directory_path: null + model_directory_path: null +contigmap: + contigs: + - A1-250/0 150-150 + inpaint_seq: null + provide_seq: null + length: null +model: + n_extra_block: 4 + n_main_block: 32 + n_ref_block: 4 + d_msa: 256 + d_msa_full: 64 + d_pair: 128 + d_templ: 64 + n_head_msa: 8 + n_head_pair: 4 + n_head_templ: 4 + d_hidden: 32 + d_hidden_templ: 32 + p_drop: 0.15 + SE3_param_full: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 8 + l0_out_features: 8 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 32 + SE3_param_topk: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 64 + l0_out_features: 64 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 64 + freeze_track_motif: false + use_motif_timestep: false +diffuser: + T: 50 + b_0: 0.01 + b_T: 0.07 + schedule_type: linear + so3_type: igso3 + crd_scale: 0.25 + partial_T: null + so3_schedule_type: linear + min_b: 1.5 + max_b: 2.5 + min_sigma: 0.02 + max_sigma: 1.5 +denoiser: + noise_scale_ca: 1 + final_noise_scale_ca: 1 + ca_noise_schedule_type: constant + noise_scale_frame: 1 + final_noise_scale_frame: 1 + frame_noise_schedule_type: constant +ppi: + hotspot_res: null +potentials: + guiding_potentials: null + guide_scale: 10 + guide_decay: constant + olig_inter_all: null + olig_intra_all: null + olig_custom_contact: null + substrate: null +contig_settings: + ref_idx: null + hal_idx: null + idx_rf: null + inpaint_seq_tensor: null +preprocess: + sidechain_input: false + motif_sidechain_input: true + d_t1d: 22 + d_t2d: 44 + prob_self_cond: 0.0 + str_self_cond: false + predict_previous: false +logging: + inputs: false +scaffoldguided: + scaffoldguided: false + target_pdb: false + target_path: null + scaffold_list: null + scaffold_dir: null + sampled_insertion: 0 + sampled_N: 0 + sampled_C: 0 + ss_mask: 0 + systematic: false + target_ss: null + target_adj: null + mask_loops: true + contig_crop: null diff --git a/RFdiffusion/outputs/2023-09-20/20-08-51/.hydra/hydra.yaml b/RFdiffusion/outputs/2023-09-20/20-08-51/.hydra/hydra.yaml new file mode 100644 index 0000000000000000000000000000000000000000..fe750ba6da6c6b046e8fae07279cd8b6bedd40ba --- /dev/null +++ b/RFdiffusion/outputs/2023-09-20/20-08-51/.hydra/hydra.yaml @@ -0,0 +1,159 @@ +hydra: + run: + dir: outputs/${now:%Y-%m-%d}/${now:%H-%M-%S} + sweep: + dir: multirun/${now:%Y-%m-%d}/${now:%H-%M-%S} + subdir: ${hydra.job.num} + launcher: + _target_: hydra._internal.core_plugins.basic_launcher.BasicLauncher + sweeper: + _target_: hydra._internal.core_plugins.basic_sweeper.BasicSweeper + max_batch_size: null + params: null + help: + app_name: ${hydra.job.name} + header: '${hydra.help.app_name} is powered by Hydra. + + ' + footer: 'Powered by Hydra (https://hydra.cc) + + Use --hydra-help to view Hydra specific help + + ' + template: '${hydra.help.header} + + == Configuration groups == + + Compose your configuration from those groups (group=option) + + + $APP_CONFIG_GROUPS + + + == Config == + + Override anything in the config (foo.bar=value) + + + $CONFIG + + + ${hydra.help.footer} + + ' + hydra_help: + template: 'Hydra (${hydra.runtime.version}) + + See https://hydra.cc for more info. + + + == Flags == + + $FLAGS_HELP + + + == Configuration groups == + + Compose your configuration from those groups (For example, append hydra/job_logging=disabled + to command line) + + + $HYDRA_CONFIG_GROUPS + + + Use ''--cfg hydra'' to Show the Hydra config. + + ' + hydra_help: ??? + hydra_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][HYDRA] %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + root: + level: INFO + handlers: + - console + loggers: + logging_example: + level: DEBUG + disable_existing_loggers: false + job_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][%(name)s][%(levelname)s] - %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + file: + class: logging.FileHandler + formatter: simple + filename: ${hydra.runtime.output_dir}/${hydra.job.name}.log + root: + level: INFO + handlers: + - console + - file + disable_existing_loggers: false + env: {} + mode: RUN + searchpath: [] + callbacks: {} + output_subdir: .hydra + overrides: + hydra: + - hydra.mode=RUN + task: + - inference.output_prefix=./ + - inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + - contigmap.contigs=[A1-250/0 150-150] + - inference.output_prefix=testoutputs/binder_test + - inference.num_designs=1 + job: + name: run_inference + chdir: null + override_dirname: contigmap.contigs=[A1-250/0 150-150],inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb,inference.num_designs=1,inference.output_prefix=./,inference.output_prefix=testoutputs/binder_test + id: ??? + num: ??? + config_name: base + env_set: {} + env_copy: [] + config: + override_dirname: + kv_sep: '=' + item_sep: ',' + exclude_keys: [] + runtime: + version: 1.3.2 + version_base: '1.3' + cwd: C:\Users\adminisiterlator\RFdiffusion + config_sources: + - path: hydra.conf + schema: pkg + provider: hydra + - path: C:\Users\adminisiterlator\RFdiffusion\config\inference + schema: file + provider: main + - path: '' + schema: structured + provider: schema + output_dir: C:\Users\adminisiterlator\RFdiffusion\outputs\2023-09-20\20-08-51 + choices: + hydra/env: default + hydra/callbacks: null + hydra/job_logging: default + hydra/hydra_logging: default + hydra/hydra_help: default + hydra/help: default + hydra/sweeper: basic + hydra/launcher: basic + hydra/output: default + verbose: false diff --git a/RFdiffusion/outputs/2023-09-20/20-08-51/.hydra/overrides.yaml b/RFdiffusion/outputs/2023-09-20/20-08-51/.hydra/overrides.yaml new file mode 100644 index 0000000000000000000000000000000000000000..99601a35317632500aace76a8cf657bb88ae3ea8 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-20/20-08-51/.hydra/overrides.yaml @@ -0,0 +1,5 @@ +- inference.output_prefix=./ +- inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb +- contigmap.contigs=[A1-250/0 150-150] +- inference.output_prefix=testoutputs/binder_test +- inference.num_designs=1 diff --git a/RFdiffusion/outputs/2023-09-20/20-08-51/run_inference.log b/RFdiffusion/outputs/2023-09-20/20-08-51/run_inference.log new file mode 100644 index 0000000000000000000000000000000000000000..18d93d24f98f4749c1d8ec479ced4ba81eeee6d3 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-20/20-08-51/run_inference.log @@ -0,0 +1,9 @@ +[2023-09-20 20:08:51,399][__main__][INFO] - //////////////////////////////////////////////// +[2023-09-20 20:08:51,400][__main__][INFO] - ///// NO GPU DETECTED! Falling back to CPU ///// +[2023-09-20 20:08:51,400][__main__][INFO] - //////////////////////////////////////////////// +[2023-09-20 20:08:51,401][rfdiffusion.inference.model_runners][INFO] - Reading checkpoint from C:\Users\adminisiterlator\RFdiffusion\rfdiffusion\inference/../../models/Base_ckpt.pt +[2023-09-20 20:08:55,913][rfdiffusion.inference.model_runners][INFO] - Loading checkpoint. +[2023-09-20 20:08:56,363][rfdiffusion.diffusion][INFO] - Using cached IGSO3. +[2023-09-20 20:08:56,439][__main__][INFO] - Making design testoutputs/binder_test_0 +[2023-09-20 20:08:56,507][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A1-250/0 150-150'] +[2023-09-20 20:08:56,678][rfdiffusion.inference.model_runners][INFO] - Sequence init: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC diff --git a/RFdiffusion/outputs/2023-09-20/20-41-03/.hydra/config.yaml b/RFdiffusion/outputs/2023-09-20/20-41-03/.hydra/config.yaml new file mode 100644 index 0000000000000000000000000000000000000000..874651b0233297a5cf23fe7112da260a9a8b7115 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-20/20-41-03/.hydra/config.yaml @@ -0,0 +1,125 @@ +inference: + input_pdb: C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + num_designs: 1 + design_startnum: 0 + ckpt_override_path: null + symmetry: null + recenter: true + radius: 10.0 + model_only_neighbors: false + output_prefix: testoutputs/binder_test + write_trajectory: true + scaffold_guided: false + model_runner: SelfConditioning + cautious: true + align_motif: true + symmetric_self_cond: true + final_step: 1 + deterministic: false + trb_save_ckpt_path: null + schedule_directory_path: null + model_directory_path: null +contigmap: + contigs: + - A1-250/0 150-150 + inpaint_seq: null + provide_seq: null + length: null +model: + n_extra_block: 4 + n_main_block: 32 + n_ref_block: 4 + d_msa: 256 + d_msa_full: 64 + d_pair: 128 + d_templ: 64 + n_head_msa: 8 + n_head_pair: 4 + n_head_templ: 4 + d_hidden: 32 + d_hidden_templ: 32 + p_drop: 0.15 + SE3_param_full: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 8 + l0_out_features: 8 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 32 + SE3_param_topk: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 64 + l0_out_features: 64 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 64 + freeze_track_motif: false + use_motif_timestep: false +diffuser: + T: 50 + b_0: 0.01 + b_T: 0.07 + schedule_type: linear + so3_type: igso3 + crd_scale: 0.25 + partial_T: null + so3_schedule_type: linear + min_b: 1.5 + max_b: 2.5 + min_sigma: 0.02 + max_sigma: 1.5 +denoiser: + noise_scale_ca: 1 + final_noise_scale_ca: 1 + ca_noise_schedule_type: constant + noise_scale_frame: 1 + final_noise_scale_frame: 1 + frame_noise_schedule_type: constant +ppi: + hotspot_res: null +potentials: + guiding_potentials: null + guide_scale: 10 + guide_decay: constant + olig_inter_all: null + olig_intra_all: null + olig_custom_contact: null + substrate: null +contig_settings: + ref_idx: null + hal_idx: null + idx_rf: null + inpaint_seq_tensor: null +preprocess: + sidechain_input: false + motif_sidechain_input: true + d_t1d: 22 + d_t2d: 44 + prob_self_cond: 0.0 + str_self_cond: false + predict_previous: false +logging: + inputs: false +scaffoldguided: + scaffoldguided: false + target_pdb: false + target_path: null + scaffold_list: null + scaffold_dir: null + sampled_insertion: 0 + sampled_N: 0 + sampled_C: 0 + ss_mask: 0 + systematic: false + target_ss: null + target_adj: null + mask_loops: true + contig_crop: null diff --git a/RFdiffusion/outputs/2023-09-20/20-41-03/.hydra/hydra.yaml b/RFdiffusion/outputs/2023-09-20/20-41-03/.hydra/hydra.yaml new file mode 100644 index 0000000000000000000000000000000000000000..620c55a2e33e557530dbff900a836bf0764d0456 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-20/20-41-03/.hydra/hydra.yaml @@ -0,0 +1,159 @@ +hydra: + run: + dir: outputs/${now:%Y-%m-%d}/${now:%H-%M-%S} + sweep: + dir: multirun/${now:%Y-%m-%d}/${now:%H-%M-%S} + subdir: ${hydra.job.num} + launcher: + _target_: hydra._internal.core_plugins.basic_launcher.BasicLauncher + sweeper: + _target_: hydra._internal.core_plugins.basic_sweeper.BasicSweeper + max_batch_size: null + params: null + help: + app_name: ${hydra.job.name} + header: '${hydra.help.app_name} is powered by Hydra. + + ' + footer: 'Powered by Hydra (https://hydra.cc) + + Use --hydra-help to view Hydra specific help + + ' + template: '${hydra.help.header} + + == Configuration groups == + + Compose your configuration from those groups (group=option) + + + $APP_CONFIG_GROUPS + + + == Config == + + Override anything in the config (foo.bar=value) + + + $CONFIG + + + ${hydra.help.footer} + + ' + hydra_help: + template: 'Hydra (${hydra.runtime.version}) + + See https://hydra.cc for more info. + + + == Flags == + + $FLAGS_HELP + + + == Configuration groups == + + Compose your configuration from those groups (For example, append hydra/job_logging=disabled + to command line) + + + $HYDRA_CONFIG_GROUPS + + + Use ''--cfg hydra'' to Show the Hydra config. + + ' + hydra_help: ??? + hydra_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][HYDRA] %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + root: + level: INFO + handlers: + - console + loggers: + logging_example: + level: DEBUG + disable_existing_loggers: false + job_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][%(name)s][%(levelname)s] - %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + file: + class: logging.FileHandler + formatter: simple + filename: ${hydra.runtime.output_dir}/${hydra.job.name}.log + root: + level: INFO + handlers: + - console + - file + disable_existing_loggers: false + env: {} + mode: RUN + searchpath: [] + callbacks: {} + output_subdir: .hydra + overrides: + hydra: + - hydra.mode=RUN + task: + - inference.output_prefix=./ + - inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + - contigmap.contigs=[A1-250/0 150-150] + - inference.output_prefix=testoutputs/binder_test + - inference.num_designs=1 + job: + name: run_inference + chdir: null + override_dirname: contigmap.contigs=[A1-250/0 150-150],inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb,inference.num_designs=1,inference.output_prefix=./,inference.output_prefix=testoutputs/binder_test + id: ??? + num: ??? + config_name: base + env_set: {} + env_copy: [] + config: + override_dirname: + kv_sep: '=' + item_sep: ',' + exclude_keys: [] + runtime: + version: 1.3.2 + version_base: '1.3' + cwd: C:\Users\adminisiterlator\RFdiffusion + config_sources: + - path: hydra.conf + schema: pkg + provider: hydra + - path: C:\Users\adminisiterlator\RFdiffusion\config\inference + schema: file + provider: main + - path: '' + schema: structured + provider: schema + output_dir: C:\Users\adminisiterlator\RFdiffusion\outputs\2023-09-20\20-41-03 + choices: + hydra/env: default + hydra/callbacks: null + hydra/job_logging: default + hydra/hydra_logging: default + hydra/hydra_help: default + hydra/help: default + hydra/sweeper: basic + hydra/launcher: basic + hydra/output: default + verbose: false diff --git a/RFdiffusion/outputs/2023-09-20/20-41-03/.hydra/overrides.yaml b/RFdiffusion/outputs/2023-09-20/20-41-03/.hydra/overrides.yaml new file mode 100644 index 0000000000000000000000000000000000000000..99601a35317632500aace76a8cf657bb88ae3ea8 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-20/20-41-03/.hydra/overrides.yaml @@ -0,0 +1,5 @@ +- inference.output_prefix=./ +- inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb +- contigmap.contigs=[A1-250/0 150-150] +- inference.output_prefix=testoutputs/binder_test +- inference.num_designs=1 diff --git a/RFdiffusion/outputs/2023-09-20/20-41-03/run_inference.log b/RFdiffusion/outputs/2023-09-20/20-41-03/run_inference.log new file mode 100644 index 0000000000000000000000000000000000000000..e0d8d02283849b65bc6e47e51178a056fb7c6a12 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-20/20-41-03/run_inference.log @@ -0,0 +1,9 @@ +[2023-09-20 20:41:03,249][__main__][INFO] - //////////////////////////////////////////////// +[2023-09-20 20:41:03,249][__main__][INFO] - ///// NO GPU DETECTED! Falling back to CPU ///// +[2023-09-20 20:41:03,250][__main__][INFO] - //////////////////////////////////////////////// +[2023-09-20 20:41:03,250][rfdiffusion.inference.model_runners][INFO] - Reading checkpoint from C:\Users\adminisiterlator\RFdiffusion\rfdiffusion\inference/../../models/Base_ckpt.pt +[2023-09-20 20:41:07,615][rfdiffusion.inference.model_runners][INFO] - Loading checkpoint. +[2023-09-20 20:41:07,995][rfdiffusion.diffusion][INFO] - Using cached IGSO3. +[2023-09-20 20:41:08,089][__main__][INFO] - Making design testoutputs/binder_test_0 +[2023-09-20 20:41:08,167][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A1-250/0 150-150'] +[2023-09-20 20:41:08,331][rfdiffusion.inference.model_runners][INFO] - Sequence init: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC diff --git a/RFdiffusion/outputs/2023-09-20/20-44-33/.hydra/config.yaml b/RFdiffusion/outputs/2023-09-20/20-44-33/.hydra/config.yaml new file mode 100644 index 0000000000000000000000000000000000000000..874651b0233297a5cf23fe7112da260a9a8b7115 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-20/20-44-33/.hydra/config.yaml @@ -0,0 +1,125 @@ +inference: + input_pdb: C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + num_designs: 1 + design_startnum: 0 + ckpt_override_path: null + symmetry: null + recenter: true + radius: 10.0 + model_only_neighbors: false + output_prefix: testoutputs/binder_test + write_trajectory: true + scaffold_guided: false + model_runner: SelfConditioning + cautious: true + align_motif: true + symmetric_self_cond: true + final_step: 1 + deterministic: false + trb_save_ckpt_path: null + schedule_directory_path: null + model_directory_path: null +contigmap: + contigs: + - A1-250/0 150-150 + inpaint_seq: null + provide_seq: null + length: null +model: + n_extra_block: 4 + n_main_block: 32 + n_ref_block: 4 + d_msa: 256 + d_msa_full: 64 + d_pair: 128 + d_templ: 64 + n_head_msa: 8 + n_head_pair: 4 + n_head_templ: 4 + d_hidden: 32 + d_hidden_templ: 32 + p_drop: 0.15 + SE3_param_full: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 8 + l0_out_features: 8 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 32 + SE3_param_topk: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 64 + l0_out_features: 64 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 64 + freeze_track_motif: false + use_motif_timestep: false +diffuser: + T: 50 + b_0: 0.01 + b_T: 0.07 + schedule_type: linear + so3_type: igso3 + crd_scale: 0.25 + partial_T: null + so3_schedule_type: linear + min_b: 1.5 + max_b: 2.5 + min_sigma: 0.02 + max_sigma: 1.5 +denoiser: + noise_scale_ca: 1 + final_noise_scale_ca: 1 + ca_noise_schedule_type: constant + noise_scale_frame: 1 + final_noise_scale_frame: 1 + frame_noise_schedule_type: constant +ppi: + hotspot_res: null +potentials: + guiding_potentials: null + guide_scale: 10 + guide_decay: constant + olig_inter_all: null + olig_intra_all: null + olig_custom_contact: null + substrate: null +contig_settings: + ref_idx: null + hal_idx: null + idx_rf: null + inpaint_seq_tensor: null +preprocess: + sidechain_input: false + motif_sidechain_input: true + d_t1d: 22 + d_t2d: 44 + prob_self_cond: 0.0 + str_self_cond: false + predict_previous: false +logging: + inputs: false +scaffoldguided: + scaffoldguided: false + target_pdb: false + target_path: null + scaffold_list: null + scaffold_dir: null + sampled_insertion: 0 + sampled_N: 0 + sampled_C: 0 + ss_mask: 0 + systematic: false + target_ss: null + target_adj: null + mask_loops: true + contig_crop: null diff --git a/RFdiffusion/outputs/2023-09-20/20-44-33/.hydra/hydra.yaml b/RFdiffusion/outputs/2023-09-20/20-44-33/.hydra/hydra.yaml new file mode 100644 index 0000000000000000000000000000000000000000..36586fd57b8d7bc52fee616e5882e98dc5811a7c --- /dev/null +++ b/RFdiffusion/outputs/2023-09-20/20-44-33/.hydra/hydra.yaml @@ -0,0 +1,159 @@ +hydra: + run: + dir: outputs/${now:%Y-%m-%d}/${now:%H-%M-%S} + sweep: + dir: multirun/${now:%Y-%m-%d}/${now:%H-%M-%S} + subdir: ${hydra.job.num} + launcher: + _target_: hydra._internal.core_plugins.basic_launcher.BasicLauncher + sweeper: + _target_: hydra._internal.core_plugins.basic_sweeper.BasicSweeper + max_batch_size: null + params: null + help: + app_name: ${hydra.job.name} + header: '${hydra.help.app_name} is powered by Hydra. + + ' + footer: 'Powered by Hydra (https://hydra.cc) + + Use --hydra-help to view Hydra specific help + + ' + template: '${hydra.help.header} + + == Configuration groups == + + Compose your configuration from those groups (group=option) + + + $APP_CONFIG_GROUPS + + + == Config == + + Override anything in the config (foo.bar=value) + + + $CONFIG + + + ${hydra.help.footer} + + ' + hydra_help: + template: 'Hydra (${hydra.runtime.version}) + + See https://hydra.cc for more info. + + + == Flags == + + $FLAGS_HELP + + + == Configuration groups == + + Compose your configuration from those groups (For example, append hydra/job_logging=disabled + to command line) + + + $HYDRA_CONFIG_GROUPS + + + Use ''--cfg hydra'' to Show the Hydra config. + + ' + hydra_help: ??? + hydra_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][HYDRA] %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + root: + level: INFO + handlers: + - console + loggers: + logging_example: + level: DEBUG + disable_existing_loggers: false + job_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][%(name)s][%(levelname)s] - %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + file: + class: logging.FileHandler + formatter: simple + filename: ${hydra.runtime.output_dir}/${hydra.job.name}.log + root: + level: INFO + handlers: + - console + - file + disable_existing_loggers: false + env: {} + mode: RUN + searchpath: [] + callbacks: {} + output_subdir: .hydra + overrides: + hydra: + - hydra.mode=RUN + task: + - inference.output_prefix=./ + - inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + - contigmap.contigs=[A1-250/0 150-150] + - inference.output_prefix=testoutputs/binder_test + - inference.num_designs=1 + job: + name: run_inference + chdir: null + override_dirname: contigmap.contigs=[A1-250/0 150-150],inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb,inference.num_designs=1,inference.output_prefix=./,inference.output_prefix=testoutputs/binder_test + id: ??? + num: ??? + config_name: base + env_set: {} + env_copy: [] + config: + override_dirname: + kv_sep: '=' + item_sep: ',' + exclude_keys: [] + runtime: + version: 1.3.2 + version_base: '1.3' + cwd: C:\Users\adminisiterlator\RFdiffusion + config_sources: + - path: hydra.conf + schema: pkg + provider: hydra + - path: C:\Users\adminisiterlator\RFdiffusion\config\inference + schema: file + provider: main + - path: '' + schema: structured + provider: schema + output_dir: C:\Users\adminisiterlator\RFdiffusion\outputs\2023-09-20\20-44-33 + choices: + hydra/env: default + hydra/callbacks: null + hydra/job_logging: default + hydra/hydra_logging: default + hydra/hydra_help: default + hydra/help: default + hydra/sweeper: basic + hydra/launcher: basic + hydra/output: default + verbose: false diff --git a/RFdiffusion/outputs/2023-09-20/20-44-33/.hydra/overrides.yaml b/RFdiffusion/outputs/2023-09-20/20-44-33/.hydra/overrides.yaml new file mode 100644 index 0000000000000000000000000000000000000000..99601a35317632500aace76a8cf657bb88ae3ea8 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-20/20-44-33/.hydra/overrides.yaml @@ -0,0 +1,5 @@ +- inference.output_prefix=./ +- inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb +- contigmap.contigs=[A1-250/0 150-150] +- inference.output_prefix=testoutputs/binder_test +- inference.num_designs=1 diff --git a/RFdiffusion/outputs/2023-09-20/20-44-33/run_inference.log b/RFdiffusion/outputs/2023-09-20/20-44-33/run_inference.log new file mode 100644 index 0000000000000000000000000000000000000000..b39457f5bc18be0c56996d4c25f3e0c44fec26ae --- /dev/null +++ b/RFdiffusion/outputs/2023-09-20/20-44-33/run_inference.log @@ -0,0 +1,9 @@ +[2023-09-20 20:44:33,719][__main__][INFO] - //////////////////////////////////////////////// +[2023-09-20 20:44:33,719][__main__][INFO] - ///// NO GPU DETECTED! Falling back to CPU ///// +[2023-09-20 20:44:33,719][__main__][INFO] - //////////////////////////////////////////////// +[2023-09-20 20:44:33,720][rfdiffusion.inference.model_runners][INFO] - Reading checkpoint from C:\Users\adminisiterlator\RFdiffusion\rfdiffusion\inference/../../models/Base_ckpt.pt +[2023-09-20 20:44:37,118][rfdiffusion.inference.model_runners][INFO] - Loading checkpoint. +[2023-09-20 20:44:37,463][rfdiffusion.diffusion][INFO] - Using cached IGSO3. +[2023-09-20 20:44:37,543][__main__][INFO] - Making design testoutputs/binder_test_0 +[2023-09-20 20:44:37,604][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A1-250/0 150-150'] +[2023-09-20 20:44:37,710][rfdiffusion.inference.model_runners][INFO] - Sequence init: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC diff --git a/RFdiffusion/outputs/2023-09-20/20-59-29/.hydra/config.yaml b/RFdiffusion/outputs/2023-09-20/20-59-29/.hydra/config.yaml new file mode 100644 index 0000000000000000000000000000000000000000..874651b0233297a5cf23fe7112da260a9a8b7115 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-20/20-59-29/.hydra/config.yaml @@ -0,0 +1,125 @@ +inference: + input_pdb: C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + num_designs: 1 + design_startnum: 0 + ckpt_override_path: null + symmetry: null + recenter: true + radius: 10.0 + model_only_neighbors: false + output_prefix: testoutputs/binder_test + write_trajectory: true + scaffold_guided: false + model_runner: SelfConditioning + cautious: true + align_motif: true + symmetric_self_cond: true + final_step: 1 + deterministic: false + trb_save_ckpt_path: null + schedule_directory_path: null + model_directory_path: null +contigmap: + contigs: + - A1-250/0 150-150 + inpaint_seq: null + provide_seq: null + length: null +model: + n_extra_block: 4 + n_main_block: 32 + n_ref_block: 4 + d_msa: 256 + d_msa_full: 64 + d_pair: 128 + d_templ: 64 + n_head_msa: 8 + n_head_pair: 4 + n_head_templ: 4 + d_hidden: 32 + d_hidden_templ: 32 + p_drop: 0.15 + SE3_param_full: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 8 + l0_out_features: 8 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 32 + SE3_param_topk: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 64 + l0_out_features: 64 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 64 + freeze_track_motif: false + use_motif_timestep: false +diffuser: + T: 50 + b_0: 0.01 + b_T: 0.07 + schedule_type: linear + so3_type: igso3 + crd_scale: 0.25 + partial_T: null + so3_schedule_type: linear + min_b: 1.5 + max_b: 2.5 + min_sigma: 0.02 + max_sigma: 1.5 +denoiser: + noise_scale_ca: 1 + final_noise_scale_ca: 1 + ca_noise_schedule_type: constant + noise_scale_frame: 1 + final_noise_scale_frame: 1 + frame_noise_schedule_type: constant +ppi: + hotspot_res: null +potentials: + guiding_potentials: null + guide_scale: 10 + guide_decay: constant + olig_inter_all: null + olig_intra_all: null + olig_custom_contact: null + substrate: null +contig_settings: + ref_idx: null + hal_idx: null + idx_rf: null + inpaint_seq_tensor: null +preprocess: + sidechain_input: false + motif_sidechain_input: true + d_t1d: 22 + d_t2d: 44 + prob_self_cond: 0.0 + str_self_cond: false + predict_previous: false +logging: + inputs: false +scaffoldguided: + scaffoldguided: false + target_pdb: false + target_path: null + scaffold_list: null + scaffold_dir: null + sampled_insertion: 0 + sampled_N: 0 + sampled_C: 0 + ss_mask: 0 + systematic: false + target_ss: null + target_adj: null + mask_loops: true + contig_crop: null diff --git a/RFdiffusion/outputs/2023-09-20/20-59-29/.hydra/hydra.yaml b/RFdiffusion/outputs/2023-09-20/20-59-29/.hydra/hydra.yaml new file mode 100644 index 0000000000000000000000000000000000000000..aa1d0f993c63549ca51506dfed9d3e4462e966a5 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-20/20-59-29/.hydra/hydra.yaml @@ -0,0 +1,159 @@ +hydra: + run: + dir: outputs/${now:%Y-%m-%d}/${now:%H-%M-%S} + sweep: + dir: multirun/${now:%Y-%m-%d}/${now:%H-%M-%S} + subdir: ${hydra.job.num} + launcher: + _target_: hydra._internal.core_plugins.basic_launcher.BasicLauncher + sweeper: + _target_: hydra._internal.core_plugins.basic_sweeper.BasicSweeper + max_batch_size: null + params: null + help: + app_name: ${hydra.job.name} + header: '${hydra.help.app_name} is powered by Hydra. + + ' + footer: 'Powered by Hydra (https://hydra.cc) + + Use --hydra-help to view Hydra specific help + + ' + template: '${hydra.help.header} + + == Configuration groups == + + Compose your configuration from those groups (group=option) + + + $APP_CONFIG_GROUPS + + + == Config == + + Override anything in the config (foo.bar=value) + + + $CONFIG + + + ${hydra.help.footer} + + ' + hydra_help: + template: 'Hydra (${hydra.runtime.version}) + + See https://hydra.cc for more info. + + + == Flags == + + $FLAGS_HELP + + + == Configuration groups == + + Compose your configuration from those groups (For example, append hydra/job_logging=disabled + to command line) + + + $HYDRA_CONFIG_GROUPS + + + Use ''--cfg hydra'' to Show the Hydra config. + + ' + hydra_help: ??? + hydra_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][HYDRA] %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + root: + level: INFO + handlers: + - console + loggers: + logging_example: + level: DEBUG + disable_existing_loggers: false + job_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][%(name)s][%(levelname)s] - %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + file: + class: logging.FileHandler + formatter: simple + filename: ${hydra.runtime.output_dir}/${hydra.job.name}.log + root: + level: INFO + handlers: + - console + - file + disable_existing_loggers: false + env: {} + mode: RUN + searchpath: [] + callbacks: {} + output_subdir: .hydra + overrides: + hydra: + - hydra.mode=RUN + task: + - inference.output_prefix=./ + - inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + - contigmap.contigs=[A1-250/0 150-150] + - inference.output_prefix=testoutputs/binder_test + - inference.num_designs=1 + job: + name: run_inference + chdir: null + override_dirname: contigmap.contigs=[A1-250/0 150-150],inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb,inference.num_designs=1,inference.output_prefix=./,inference.output_prefix=testoutputs/binder_test + id: ??? + num: ??? + config_name: base + env_set: {} + env_copy: [] + config: + override_dirname: + kv_sep: '=' + item_sep: ',' + exclude_keys: [] + runtime: + version: 1.3.2 + version_base: '1.3' + cwd: C:\Users\adminisiterlator\RFdiffusion + config_sources: + - path: hydra.conf + schema: pkg + provider: hydra + - path: C:\Users\adminisiterlator\RFdiffusion\config\inference + schema: file + provider: main + - path: '' + schema: structured + provider: schema + output_dir: C:\Users\adminisiterlator\RFdiffusion\outputs\2023-09-20\20-59-29 + choices: + hydra/env: default + hydra/callbacks: null + hydra/job_logging: default + hydra/hydra_logging: default + hydra/hydra_help: default + hydra/help: default + hydra/sweeper: basic + hydra/launcher: basic + hydra/output: default + verbose: false diff --git a/RFdiffusion/outputs/2023-09-20/20-59-29/.hydra/overrides.yaml b/RFdiffusion/outputs/2023-09-20/20-59-29/.hydra/overrides.yaml new file mode 100644 index 0000000000000000000000000000000000000000..99601a35317632500aace76a8cf657bb88ae3ea8 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-20/20-59-29/.hydra/overrides.yaml @@ -0,0 +1,5 @@ +- inference.output_prefix=./ +- inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb +- contigmap.contigs=[A1-250/0 150-150] +- inference.output_prefix=testoutputs/binder_test +- inference.num_designs=1 diff --git a/RFdiffusion/outputs/2023-09-20/20-59-29/run_inference.log b/RFdiffusion/outputs/2023-09-20/20-59-29/run_inference.log new file mode 100644 index 0000000000000000000000000000000000000000..fe2151ab916d591439a36b157202fd534b4625fa --- /dev/null +++ b/RFdiffusion/outputs/2023-09-20/20-59-29/run_inference.log @@ -0,0 +1,9 @@ +[2023-09-20 20:59:29,351][__main__][INFO] - //////////////////////////////////////////////// +[2023-09-20 20:59:29,352][__main__][INFO] - ///// NO GPU DETECTED! Falling back to CPU ///// +[2023-09-20 20:59:29,352][__main__][INFO] - //////////////////////////////////////////////// +[2023-09-20 20:59:29,354][rfdiffusion.inference.model_runners][INFO] - Reading checkpoint from C:\Users\adminisiterlator\RFdiffusion\rfdiffusion\inference/../../models/Base_ckpt.pt +[2023-09-20 20:59:33,965][rfdiffusion.inference.model_runners][INFO] - Loading checkpoint. +[2023-09-20 20:59:34,424][rfdiffusion.diffusion][INFO] - Using cached IGSO3. +[2023-09-20 20:59:34,526][__main__][INFO] - Making design testoutputs/binder_test_0 +[2023-09-20 20:59:34,613][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A1-250/0 150-150'] +[2023-09-20 20:59:34,800][rfdiffusion.inference.model_runners][INFO] - Sequence init: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC diff --git a/RFdiffusion/outputs/2023-09-20/21-46-59/.hydra/config.yaml b/RFdiffusion/outputs/2023-09-20/21-46-59/.hydra/config.yaml new file mode 100644 index 0000000000000000000000000000000000000000..874651b0233297a5cf23fe7112da260a9a8b7115 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-20/21-46-59/.hydra/config.yaml @@ -0,0 +1,125 @@ +inference: + input_pdb: C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + num_designs: 1 + design_startnum: 0 + ckpt_override_path: null + symmetry: null + recenter: true + radius: 10.0 + model_only_neighbors: false + output_prefix: testoutputs/binder_test + write_trajectory: true + scaffold_guided: false + model_runner: SelfConditioning + cautious: true + align_motif: true + symmetric_self_cond: true + final_step: 1 + deterministic: false + trb_save_ckpt_path: null + schedule_directory_path: null + model_directory_path: null +contigmap: + contigs: + - A1-250/0 150-150 + inpaint_seq: null + provide_seq: null + length: null +model: + n_extra_block: 4 + n_main_block: 32 + n_ref_block: 4 + d_msa: 256 + d_msa_full: 64 + d_pair: 128 + d_templ: 64 + n_head_msa: 8 + n_head_pair: 4 + n_head_templ: 4 + d_hidden: 32 + d_hidden_templ: 32 + p_drop: 0.15 + SE3_param_full: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 8 + l0_out_features: 8 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 32 + SE3_param_topk: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 64 + l0_out_features: 64 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 64 + freeze_track_motif: false + use_motif_timestep: false +diffuser: + T: 50 + b_0: 0.01 + b_T: 0.07 + schedule_type: linear + so3_type: igso3 + crd_scale: 0.25 + partial_T: null + so3_schedule_type: linear + min_b: 1.5 + max_b: 2.5 + min_sigma: 0.02 + max_sigma: 1.5 +denoiser: + noise_scale_ca: 1 + final_noise_scale_ca: 1 + ca_noise_schedule_type: constant + noise_scale_frame: 1 + final_noise_scale_frame: 1 + frame_noise_schedule_type: constant +ppi: + hotspot_res: null +potentials: + guiding_potentials: null + guide_scale: 10 + guide_decay: constant + olig_inter_all: null + olig_intra_all: null + olig_custom_contact: null + substrate: null +contig_settings: + ref_idx: null + hal_idx: null + idx_rf: null + inpaint_seq_tensor: null +preprocess: + sidechain_input: false + motif_sidechain_input: true + d_t1d: 22 + d_t2d: 44 + prob_self_cond: 0.0 + str_self_cond: false + predict_previous: false +logging: + inputs: false +scaffoldguided: + scaffoldguided: false + target_pdb: false + target_path: null + scaffold_list: null + scaffold_dir: null + sampled_insertion: 0 + sampled_N: 0 + sampled_C: 0 + ss_mask: 0 + systematic: false + target_ss: null + target_adj: null + mask_loops: true + contig_crop: null diff --git a/RFdiffusion/outputs/2023-09-20/21-46-59/.hydra/hydra.yaml b/RFdiffusion/outputs/2023-09-20/21-46-59/.hydra/hydra.yaml new file mode 100644 index 0000000000000000000000000000000000000000..c0f3513ca798296a84d1c6e7d25ef536f24d9011 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-20/21-46-59/.hydra/hydra.yaml @@ -0,0 +1,159 @@ +hydra: + run: + dir: outputs/${now:%Y-%m-%d}/${now:%H-%M-%S} + sweep: + dir: multirun/${now:%Y-%m-%d}/${now:%H-%M-%S} + subdir: ${hydra.job.num} + launcher: + _target_: hydra._internal.core_plugins.basic_launcher.BasicLauncher + sweeper: + _target_: hydra._internal.core_plugins.basic_sweeper.BasicSweeper + max_batch_size: null + params: null + help: + app_name: ${hydra.job.name} + header: '${hydra.help.app_name} is powered by Hydra. + + ' + footer: 'Powered by Hydra (https://hydra.cc) + + Use --hydra-help to view Hydra specific help + + ' + template: '${hydra.help.header} + + == Configuration groups == + + Compose your configuration from those groups (group=option) + + + $APP_CONFIG_GROUPS + + + == Config == + + Override anything in the config (foo.bar=value) + + + $CONFIG + + + ${hydra.help.footer} + + ' + hydra_help: + template: 'Hydra (${hydra.runtime.version}) + + See https://hydra.cc for more info. + + + == Flags == + + $FLAGS_HELP + + + == Configuration groups == + + Compose your configuration from those groups (For example, append hydra/job_logging=disabled + to command line) + + + $HYDRA_CONFIG_GROUPS + + + Use ''--cfg hydra'' to Show the Hydra config. + + ' + hydra_help: ??? + hydra_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][HYDRA] %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + root: + level: INFO + handlers: + - console + loggers: + logging_example: + level: DEBUG + disable_existing_loggers: false + job_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][%(name)s][%(levelname)s] - %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + file: + class: logging.FileHandler + formatter: simple + filename: ${hydra.runtime.output_dir}/${hydra.job.name}.log + root: + level: INFO + handlers: + - console + - file + disable_existing_loggers: false + env: {} + mode: RUN + searchpath: [] + callbacks: {} + output_subdir: .hydra + overrides: + hydra: + - hydra.mode=RUN + task: + - inference.output_prefix=./ + - inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + - contigmap.contigs=[A1-250/0 150-150] + - inference.output_prefix=testoutputs/binder_test + - inference.num_designs=1 + job: + name: run_inference + chdir: null + override_dirname: contigmap.contigs=[A1-250/0 150-150],inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb,inference.num_designs=1,inference.output_prefix=./,inference.output_prefix=testoutputs/binder_test + id: ??? + num: ??? + config_name: base + env_set: {} + env_copy: [] + config: + override_dirname: + kv_sep: '=' + item_sep: ',' + exclude_keys: [] + runtime: + version: 1.3.2 + version_base: '1.3' + cwd: C:\Users\adminisiterlator\Rfdiffusion + config_sources: + - path: hydra.conf + schema: pkg + provider: hydra + - path: C:\Users\adminisiterlator\RFdiffusion\config\inference + schema: file + provider: main + - path: '' + schema: structured + provider: schema + output_dir: C:\Users\adminisiterlator\Rfdiffusion\outputs\2023-09-20\21-46-59 + choices: + hydra/env: default + hydra/callbacks: null + hydra/job_logging: default + hydra/hydra_logging: default + hydra/hydra_help: default + hydra/help: default + hydra/sweeper: basic + hydra/launcher: basic + hydra/output: default + verbose: false diff --git a/RFdiffusion/outputs/2023-09-20/21-46-59/.hydra/overrides.yaml b/RFdiffusion/outputs/2023-09-20/21-46-59/.hydra/overrides.yaml new file mode 100644 index 0000000000000000000000000000000000000000..99601a35317632500aace76a8cf657bb88ae3ea8 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-20/21-46-59/.hydra/overrides.yaml @@ -0,0 +1,5 @@ +- inference.output_prefix=./ +- inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb +- contigmap.contigs=[A1-250/0 150-150] +- inference.output_prefix=testoutputs/binder_test +- inference.num_designs=1 diff --git a/RFdiffusion/outputs/2023-09-20/21-46-59/run_inference.log b/RFdiffusion/outputs/2023-09-20/21-46-59/run_inference.log new file mode 100644 index 0000000000000000000000000000000000000000..60b401172474a70bdf08c34262a009fa49717e00 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-20/21-46-59/run_inference.log @@ -0,0 +1,9 @@ +[2023-09-20 21:46:59,604][__main__][INFO] - //////////////////////////////////////////////// +[2023-09-20 21:46:59,605][__main__][INFO] - ///// NO GPU DETECTED! Falling back to CPU ///// +[2023-09-20 21:46:59,605][__main__][INFO] - //////////////////////////////////////////////// +[2023-09-20 21:46:59,605][rfdiffusion.inference.model_runners][INFO] - Reading checkpoint from C:\Users\adminisiterlator\RFdiffusion\rfdiffusion\inference/../../models/Base_ckpt.pt +[2023-09-20 21:47:05,610][rfdiffusion.inference.model_runners][INFO] - Loading checkpoint. +[2023-09-20 21:47:06,166][rfdiffusion.diffusion][INFO] - Using cached IGSO3. +[2023-09-20 21:47:06,260][__main__][INFO] - Making design testoutputs/binder_test_0 +[2023-09-20 21:47:06,330][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A1-250/0 150-150'] +[2023-09-20 21:47:06,508][rfdiffusion.inference.model_runners][INFO] - Sequence init: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC diff --git a/RFdiffusion/outputs/2023-09-20/23-29-55/.hydra/config.yaml b/RFdiffusion/outputs/2023-09-20/23-29-55/.hydra/config.yaml new file mode 100644 index 0000000000000000000000000000000000000000..874651b0233297a5cf23fe7112da260a9a8b7115 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-20/23-29-55/.hydra/config.yaml @@ -0,0 +1,125 @@ +inference: + input_pdb: C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + num_designs: 1 + design_startnum: 0 + ckpt_override_path: null + symmetry: null + recenter: true + radius: 10.0 + model_only_neighbors: false + output_prefix: testoutputs/binder_test + write_trajectory: true + scaffold_guided: false + model_runner: SelfConditioning + cautious: true + align_motif: true + symmetric_self_cond: true + final_step: 1 + deterministic: false + trb_save_ckpt_path: null + schedule_directory_path: null + model_directory_path: null +contigmap: + contigs: + - A1-250/0 150-150 + inpaint_seq: null + provide_seq: null + length: null +model: + n_extra_block: 4 + n_main_block: 32 + n_ref_block: 4 + d_msa: 256 + d_msa_full: 64 + d_pair: 128 + d_templ: 64 + n_head_msa: 8 + n_head_pair: 4 + n_head_templ: 4 + d_hidden: 32 + d_hidden_templ: 32 + p_drop: 0.15 + SE3_param_full: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 8 + l0_out_features: 8 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 32 + SE3_param_topk: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 64 + l0_out_features: 64 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 64 + freeze_track_motif: false + use_motif_timestep: false +diffuser: + T: 50 + b_0: 0.01 + b_T: 0.07 + schedule_type: linear + so3_type: igso3 + crd_scale: 0.25 + partial_T: null + so3_schedule_type: linear + min_b: 1.5 + max_b: 2.5 + min_sigma: 0.02 + max_sigma: 1.5 +denoiser: + noise_scale_ca: 1 + final_noise_scale_ca: 1 + ca_noise_schedule_type: constant + noise_scale_frame: 1 + final_noise_scale_frame: 1 + frame_noise_schedule_type: constant +ppi: + hotspot_res: null +potentials: + guiding_potentials: null + guide_scale: 10 + guide_decay: constant + olig_inter_all: null + olig_intra_all: null + olig_custom_contact: null + substrate: null +contig_settings: + ref_idx: null + hal_idx: null + idx_rf: null + inpaint_seq_tensor: null +preprocess: + sidechain_input: false + motif_sidechain_input: true + d_t1d: 22 + d_t2d: 44 + prob_self_cond: 0.0 + str_self_cond: false + predict_previous: false +logging: + inputs: false +scaffoldguided: + scaffoldguided: false + target_pdb: false + target_path: null + scaffold_list: null + scaffold_dir: null + sampled_insertion: 0 + sampled_N: 0 + sampled_C: 0 + ss_mask: 0 + systematic: false + target_ss: null + target_adj: null + mask_loops: true + contig_crop: null diff --git a/RFdiffusion/outputs/2023-09-20/23-29-55/.hydra/hydra.yaml b/RFdiffusion/outputs/2023-09-20/23-29-55/.hydra/hydra.yaml new file mode 100644 index 0000000000000000000000000000000000000000..2372fda567353f7c88a126a60a660bfadda48d62 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-20/23-29-55/.hydra/hydra.yaml @@ -0,0 +1,159 @@ +hydra: + run: + dir: outputs/${now:%Y-%m-%d}/${now:%H-%M-%S} + sweep: + dir: multirun/${now:%Y-%m-%d}/${now:%H-%M-%S} + subdir: ${hydra.job.num} + launcher: + _target_: hydra._internal.core_plugins.basic_launcher.BasicLauncher + sweeper: + _target_: hydra._internal.core_plugins.basic_sweeper.BasicSweeper + max_batch_size: null + params: null + help: + app_name: ${hydra.job.name} + header: '${hydra.help.app_name} is powered by Hydra. + + ' + footer: 'Powered by Hydra (https://hydra.cc) + + Use --hydra-help to view Hydra specific help + + ' + template: '${hydra.help.header} + + == Configuration groups == + + Compose your configuration from those groups (group=option) + + + $APP_CONFIG_GROUPS + + + == Config == + + Override anything in the config (foo.bar=value) + + + $CONFIG + + + ${hydra.help.footer} + + ' + hydra_help: + template: 'Hydra (${hydra.runtime.version}) + + See https://hydra.cc for more info. + + + == Flags == + + $FLAGS_HELP + + + == Configuration groups == + + Compose your configuration from those groups (For example, append hydra/job_logging=disabled + to command line) + + + $HYDRA_CONFIG_GROUPS + + + Use ''--cfg hydra'' to Show the Hydra config. + + ' + hydra_help: ??? + hydra_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][HYDRA] %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + root: + level: INFO + handlers: + - console + loggers: + logging_example: + level: DEBUG + disable_existing_loggers: false + job_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][%(name)s][%(levelname)s] - %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + file: + class: logging.FileHandler + formatter: simple + filename: ${hydra.runtime.output_dir}/${hydra.job.name}.log + root: + level: INFO + handlers: + - console + - file + disable_existing_loggers: false + env: {} + mode: RUN + searchpath: [] + callbacks: {} + output_subdir: .hydra + overrides: + hydra: + - hydra.mode=RUN + task: + - inference.output_prefix=./ + - inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + - contigmap.contigs=[A1-250/0 150-150] + - inference.output_prefix=testoutputs/binder_test + - inference.num_designs=1 + job: + name: run_inference + chdir: null + override_dirname: contigmap.contigs=[A1-250/0 150-150],inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb,inference.num_designs=1,inference.output_prefix=./,inference.output_prefix=testoutputs/binder_test + id: ??? + num: ??? + config_name: base + env_set: {} + env_copy: [] + config: + override_dirname: + kv_sep: '=' + item_sep: ',' + exclude_keys: [] + runtime: + version: 1.3.2 + version_base: '1.3' + cwd: C:\Users\adminisiterlator\Rfdiffusion + config_sources: + - path: hydra.conf + schema: pkg + provider: hydra + - path: C:\Users\adminisiterlator\RFdiffusion\config\inference + schema: file + provider: main + - path: '' + schema: structured + provider: schema + output_dir: C:\Users\adminisiterlator\Rfdiffusion\outputs\2023-09-20\23-29-55 + choices: + hydra/env: default + hydra/callbacks: null + hydra/job_logging: default + hydra/hydra_logging: default + hydra/hydra_help: default + hydra/help: default + hydra/sweeper: basic + hydra/launcher: basic + hydra/output: default + verbose: false diff --git a/RFdiffusion/outputs/2023-09-20/23-29-55/.hydra/overrides.yaml b/RFdiffusion/outputs/2023-09-20/23-29-55/.hydra/overrides.yaml new file mode 100644 index 0000000000000000000000000000000000000000..99601a35317632500aace76a8cf657bb88ae3ea8 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-20/23-29-55/.hydra/overrides.yaml @@ -0,0 +1,5 @@ +- inference.output_prefix=./ +- inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb +- contigmap.contigs=[A1-250/0 150-150] +- inference.output_prefix=testoutputs/binder_test +- inference.num_designs=1 diff --git a/RFdiffusion/outputs/2023-09-20/23-29-55/run_inference.log b/RFdiffusion/outputs/2023-09-20/23-29-55/run_inference.log new file mode 100644 index 0000000000000000000000000000000000000000..76ba46f3ae97c4ba30c2adbfc656879410309e2b --- /dev/null +++ b/RFdiffusion/outputs/2023-09-20/23-29-55/run_inference.log @@ -0,0 +1,9 @@ +[2023-09-20 23:29:55,941][__main__][INFO] - //////////////////////////////////////////////// +[2023-09-20 23:29:55,941][__main__][INFO] - ///// NO GPU DETECTED! Falling back to CPU ///// +[2023-09-20 23:29:55,942][__main__][INFO] - //////////////////////////////////////////////// +[2023-09-20 23:29:55,943][rfdiffusion.inference.model_runners][INFO] - Reading checkpoint from C:\Users\adminisiterlator\RFdiffusion\rfdiffusion\inference/../../models/Base_ckpt.pt +[2023-09-20 23:30:00,736][rfdiffusion.inference.model_runners][INFO] - Loading checkpoint. +[2023-09-20 23:30:01,166][rfdiffusion.diffusion][INFO] - Using cached IGSO3. +[2023-09-20 23:30:01,238][__main__][INFO] - Making design testoutputs/binder_test_0 +[2023-09-20 23:30:01,291][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A1-250/0 150-150'] +[2023-09-20 23:30:01,456][rfdiffusion.inference.model_runners][INFO] - Sequence init: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC diff --git a/RFdiffusion/outputs/2023-09-21/11-44-42/.hydra/config.yaml b/RFdiffusion/outputs/2023-09-21/11-44-42/.hydra/config.yaml new file mode 100644 index 0000000000000000000000000000000000000000..874651b0233297a5cf23fe7112da260a9a8b7115 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-21/11-44-42/.hydra/config.yaml @@ -0,0 +1,125 @@ +inference: + input_pdb: C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + num_designs: 1 + design_startnum: 0 + ckpt_override_path: null + symmetry: null + recenter: true + radius: 10.0 + model_only_neighbors: false + output_prefix: testoutputs/binder_test + write_trajectory: true + scaffold_guided: false + model_runner: SelfConditioning + cautious: true + align_motif: true + symmetric_self_cond: true + final_step: 1 + deterministic: false + trb_save_ckpt_path: null + schedule_directory_path: null + model_directory_path: null +contigmap: + contigs: + - A1-250/0 150-150 + inpaint_seq: null + provide_seq: null + length: null +model: + n_extra_block: 4 + n_main_block: 32 + n_ref_block: 4 + d_msa: 256 + d_msa_full: 64 + d_pair: 128 + d_templ: 64 + n_head_msa: 8 + n_head_pair: 4 + n_head_templ: 4 + d_hidden: 32 + d_hidden_templ: 32 + p_drop: 0.15 + SE3_param_full: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 8 + l0_out_features: 8 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 32 + SE3_param_topk: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 64 + l0_out_features: 64 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 64 + freeze_track_motif: false + use_motif_timestep: false +diffuser: + T: 50 + b_0: 0.01 + b_T: 0.07 + schedule_type: linear + so3_type: igso3 + crd_scale: 0.25 + partial_T: null + so3_schedule_type: linear + min_b: 1.5 + max_b: 2.5 + min_sigma: 0.02 + max_sigma: 1.5 +denoiser: + noise_scale_ca: 1 + final_noise_scale_ca: 1 + ca_noise_schedule_type: constant + noise_scale_frame: 1 + final_noise_scale_frame: 1 + frame_noise_schedule_type: constant +ppi: + hotspot_res: null +potentials: + guiding_potentials: null + guide_scale: 10 + guide_decay: constant + olig_inter_all: null + olig_intra_all: null + olig_custom_contact: null + substrate: null +contig_settings: + ref_idx: null + hal_idx: null + idx_rf: null + inpaint_seq_tensor: null +preprocess: + sidechain_input: false + motif_sidechain_input: true + d_t1d: 22 + d_t2d: 44 + prob_self_cond: 0.0 + str_self_cond: false + predict_previous: false +logging: + inputs: false +scaffoldguided: + scaffoldguided: false + target_pdb: false + target_path: null + scaffold_list: null + scaffold_dir: null + sampled_insertion: 0 + sampled_N: 0 + sampled_C: 0 + ss_mask: 0 + systematic: false + target_ss: null + target_adj: null + mask_loops: true + contig_crop: null diff --git a/RFdiffusion/outputs/2023-09-21/11-44-42/.hydra/hydra.yaml b/RFdiffusion/outputs/2023-09-21/11-44-42/.hydra/hydra.yaml new file mode 100644 index 0000000000000000000000000000000000000000..6bf3ac934984b58451d556bfe36a8fe20a9505e2 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-21/11-44-42/.hydra/hydra.yaml @@ -0,0 +1,159 @@ +hydra: + run: + dir: outputs/${now:%Y-%m-%d}/${now:%H-%M-%S} + sweep: + dir: multirun/${now:%Y-%m-%d}/${now:%H-%M-%S} + subdir: ${hydra.job.num} + launcher: + _target_: hydra._internal.core_plugins.basic_launcher.BasicLauncher + sweeper: + _target_: hydra._internal.core_plugins.basic_sweeper.BasicSweeper + max_batch_size: null + params: null + help: + app_name: ${hydra.job.name} + header: '${hydra.help.app_name} is powered by Hydra. + + ' + footer: 'Powered by Hydra (https://hydra.cc) + + Use --hydra-help to view Hydra specific help + + ' + template: '${hydra.help.header} + + == Configuration groups == + + Compose your configuration from those groups (group=option) + + + $APP_CONFIG_GROUPS + + + == Config == + + Override anything in the config (foo.bar=value) + + + $CONFIG + + + ${hydra.help.footer} + + ' + hydra_help: + template: 'Hydra (${hydra.runtime.version}) + + See https://hydra.cc for more info. + + + == Flags == + + $FLAGS_HELP + + + == Configuration groups == + + Compose your configuration from those groups (For example, append hydra/job_logging=disabled + to command line) + + + $HYDRA_CONFIG_GROUPS + + + Use ''--cfg hydra'' to Show the Hydra config. + + ' + hydra_help: ??? + hydra_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][HYDRA] %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + root: + level: INFO + handlers: + - console + loggers: + logging_example: + level: DEBUG + disable_existing_loggers: false + job_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][%(name)s][%(levelname)s] - %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + file: + class: logging.FileHandler + formatter: simple + filename: ${hydra.runtime.output_dir}/${hydra.job.name}.log + root: + level: INFO + handlers: + - console + - file + disable_existing_loggers: false + env: {} + mode: RUN + searchpath: [] + callbacks: {} + output_subdir: .hydra + overrides: + hydra: + - hydra.mode=RUN + task: + - inference.output_prefix=./ + - inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + - contigmap.contigs=[A1-250/0 150-150] + - inference.output_prefix=testoutputs/binder_test + - inference.num_designs=1 + job: + name: run_inference + chdir: null + override_dirname: contigmap.contigs=[A1-250/0 150-150],inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb,inference.num_designs=1,inference.output_prefix=./,inference.output_prefix=testoutputs/binder_test + id: ??? + num: ??? + config_name: base + env_set: {} + env_copy: [] + config: + override_dirname: + kv_sep: '=' + item_sep: ',' + exclude_keys: [] + runtime: + version: 1.3.2 + version_base: '1.3' + cwd: C:\Users\adminisiterlator\RFdiffusion + config_sources: + - path: hydra.conf + schema: pkg + provider: hydra + - path: C:\Users\adminisiterlator\RFdiffusion\config\inference + schema: file + provider: main + - path: '' + schema: structured + provider: schema + output_dir: C:\Users\adminisiterlator\RFdiffusion\outputs\2023-09-21\11-44-42 + choices: + hydra/env: default + hydra/callbacks: null + hydra/job_logging: default + hydra/hydra_logging: default + hydra/hydra_help: default + hydra/help: default + hydra/sweeper: basic + hydra/launcher: basic + hydra/output: default + verbose: false diff --git a/RFdiffusion/outputs/2023-09-21/11-44-42/.hydra/overrides.yaml b/RFdiffusion/outputs/2023-09-21/11-44-42/.hydra/overrides.yaml new file mode 100644 index 0000000000000000000000000000000000000000..99601a35317632500aace76a8cf657bb88ae3ea8 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-21/11-44-42/.hydra/overrides.yaml @@ -0,0 +1,5 @@ +- inference.output_prefix=./ +- inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb +- contigmap.contigs=[A1-250/0 150-150] +- inference.output_prefix=testoutputs/binder_test +- inference.num_designs=1 diff --git a/RFdiffusion/outputs/2023-09-21/11-44-42/run_inference.log b/RFdiffusion/outputs/2023-09-21/11-44-42/run_inference.log new file mode 100644 index 0000000000000000000000000000000000000000..76ed097d8a2d314d15dcab93a77e329f5d5ffb3a --- /dev/null +++ b/RFdiffusion/outputs/2023-09-21/11-44-42/run_inference.log @@ -0,0 +1,9 @@ +[2023-09-21 11:44:42,445][__main__][INFO] - //////////////////////////////////////////////// +[2023-09-21 11:44:42,446][__main__][INFO] - ///// NO GPU DETECTED! Falling back to CPU ///// +[2023-09-21 11:44:42,446][__main__][INFO] - //////////////////////////////////////////////// +[2023-09-21 11:44:42,447][rfdiffusion.inference.model_runners][INFO] - Reading checkpoint from C:\Users\adminisiterlator\RFdiffusion\rfdiffusion\inference/../../models/Base_ckpt.pt +[2023-09-21 11:44:46,221][rfdiffusion.inference.model_runners][INFO] - Loading checkpoint. +[2023-09-21 11:44:46,537][rfdiffusion.diffusion][INFO] - Using cached IGSO3. +[2023-09-21 11:44:46,595][__main__][INFO] - Making design testoutputs/binder_test_0 +[2023-09-21 11:44:46,649][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A1-250/0 150-150'] +[2023-09-21 11:44:46,794][rfdiffusion.inference.model_runners][INFO] - Sequence init: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC diff --git a/RFdiffusion/outputs/2023-09-21/12-38-32/.hydra/config.yaml b/RFdiffusion/outputs/2023-09-21/12-38-32/.hydra/config.yaml new file mode 100644 index 0000000000000000000000000000000000000000..874651b0233297a5cf23fe7112da260a9a8b7115 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-21/12-38-32/.hydra/config.yaml @@ -0,0 +1,125 @@ +inference: + input_pdb: C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + num_designs: 1 + design_startnum: 0 + ckpt_override_path: null + symmetry: null + recenter: true + radius: 10.0 + model_only_neighbors: false + output_prefix: testoutputs/binder_test + write_trajectory: true + scaffold_guided: false + model_runner: SelfConditioning + cautious: true + align_motif: true + symmetric_self_cond: true + final_step: 1 + deterministic: false + trb_save_ckpt_path: null + schedule_directory_path: null + model_directory_path: null +contigmap: + contigs: + - A1-250/0 150-150 + inpaint_seq: null + provide_seq: null + length: null +model: + n_extra_block: 4 + n_main_block: 32 + n_ref_block: 4 + d_msa: 256 + d_msa_full: 64 + d_pair: 128 + d_templ: 64 + n_head_msa: 8 + n_head_pair: 4 + n_head_templ: 4 + d_hidden: 32 + d_hidden_templ: 32 + p_drop: 0.15 + SE3_param_full: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 8 + l0_out_features: 8 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 32 + SE3_param_topk: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 64 + l0_out_features: 64 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 64 + freeze_track_motif: false + use_motif_timestep: false +diffuser: + T: 50 + b_0: 0.01 + b_T: 0.07 + schedule_type: linear + so3_type: igso3 + crd_scale: 0.25 + partial_T: null + so3_schedule_type: linear + min_b: 1.5 + max_b: 2.5 + min_sigma: 0.02 + max_sigma: 1.5 +denoiser: + noise_scale_ca: 1 + final_noise_scale_ca: 1 + ca_noise_schedule_type: constant + noise_scale_frame: 1 + final_noise_scale_frame: 1 + frame_noise_schedule_type: constant +ppi: + hotspot_res: null +potentials: + guiding_potentials: null + guide_scale: 10 + guide_decay: constant + olig_inter_all: null + olig_intra_all: null + olig_custom_contact: null + substrate: null +contig_settings: + ref_idx: null + hal_idx: null + idx_rf: null + inpaint_seq_tensor: null +preprocess: + sidechain_input: false + motif_sidechain_input: true + d_t1d: 22 + d_t2d: 44 + prob_self_cond: 0.0 + str_self_cond: false + predict_previous: false +logging: + inputs: false +scaffoldguided: + scaffoldguided: false + target_pdb: false + target_path: null + scaffold_list: null + scaffold_dir: null + sampled_insertion: 0 + sampled_N: 0 + sampled_C: 0 + ss_mask: 0 + systematic: false + target_ss: null + target_adj: null + mask_loops: true + contig_crop: null diff --git a/RFdiffusion/outputs/2023-09-21/12-38-32/.hydra/hydra.yaml b/RFdiffusion/outputs/2023-09-21/12-38-32/.hydra/hydra.yaml new file mode 100644 index 0000000000000000000000000000000000000000..470231cec878ff6e12a0b7bda0896b925a88e058 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-21/12-38-32/.hydra/hydra.yaml @@ -0,0 +1,159 @@ +hydra: + run: + dir: outputs/${now:%Y-%m-%d}/${now:%H-%M-%S} + sweep: + dir: multirun/${now:%Y-%m-%d}/${now:%H-%M-%S} + subdir: ${hydra.job.num} + launcher: + _target_: hydra._internal.core_plugins.basic_launcher.BasicLauncher + sweeper: + _target_: hydra._internal.core_plugins.basic_sweeper.BasicSweeper + max_batch_size: null + params: null + help: + app_name: ${hydra.job.name} + header: '${hydra.help.app_name} is powered by Hydra. + + ' + footer: 'Powered by Hydra (https://hydra.cc) + + Use --hydra-help to view Hydra specific help + + ' + template: '${hydra.help.header} + + == Configuration groups == + + Compose your configuration from those groups (group=option) + + + $APP_CONFIG_GROUPS + + + == Config == + + Override anything in the config (foo.bar=value) + + + $CONFIG + + + ${hydra.help.footer} + + ' + hydra_help: + template: 'Hydra (${hydra.runtime.version}) + + See https://hydra.cc for more info. + + + == Flags == + + $FLAGS_HELP + + + == Configuration groups == + + Compose your configuration from those groups (For example, append hydra/job_logging=disabled + to command line) + + + $HYDRA_CONFIG_GROUPS + + + Use ''--cfg hydra'' to Show the Hydra config. + + ' + hydra_help: ??? + hydra_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][HYDRA] %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + root: + level: INFO + handlers: + - console + loggers: + logging_example: + level: DEBUG + disable_existing_loggers: false + job_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][%(name)s][%(levelname)s] - %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + file: + class: logging.FileHandler + formatter: simple + filename: ${hydra.runtime.output_dir}/${hydra.job.name}.log + root: + level: INFO + handlers: + - console + - file + disable_existing_loggers: false + env: {} + mode: RUN + searchpath: [] + callbacks: {} + output_subdir: .hydra + overrides: + hydra: + - hydra.mode=RUN + task: + - inference.output_prefix=./ + - inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + - contigmap.contigs=[A1-250/0 150-150] + - inference.output_prefix=testoutputs/binder_test + - inference.num_designs=1 + job: + name: run_inference + chdir: null + override_dirname: contigmap.contigs=[A1-250/0 150-150],inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb,inference.num_designs=1,inference.output_prefix=./,inference.output_prefix=testoutputs/binder_test + id: ??? + num: ??? + config_name: base + env_set: {} + env_copy: [] + config: + override_dirname: + kv_sep: '=' + item_sep: ',' + exclude_keys: [] + runtime: + version: 1.3.2 + version_base: '1.3' + cwd: C:\Users\adminisiterlator\RFdiffusion + config_sources: + - path: hydra.conf + schema: pkg + provider: hydra + - path: C:\Users\adminisiterlator\RFdiffusion\config\inference + schema: file + provider: main + - path: '' + schema: structured + provider: schema + output_dir: C:\Users\adminisiterlator\RFdiffusion\outputs\2023-09-21\12-38-32 + choices: + hydra/env: default + hydra/callbacks: null + hydra/job_logging: default + hydra/hydra_logging: default + hydra/hydra_help: default + hydra/help: default + hydra/sweeper: basic + hydra/launcher: basic + hydra/output: default + verbose: false diff --git a/RFdiffusion/outputs/2023-09-21/12-38-32/.hydra/overrides.yaml b/RFdiffusion/outputs/2023-09-21/12-38-32/.hydra/overrides.yaml new file mode 100644 index 0000000000000000000000000000000000000000..99601a35317632500aace76a8cf657bb88ae3ea8 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-21/12-38-32/.hydra/overrides.yaml @@ -0,0 +1,5 @@ +- inference.output_prefix=./ +- inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb +- contigmap.contigs=[A1-250/0 150-150] +- inference.output_prefix=testoutputs/binder_test +- inference.num_designs=1 diff --git a/RFdiffusion/outputs/2023-09-21/12-38-32/run_inference.log b/RFdiffusion/outputs/2023-09-21/12-38-32/run_inference.log new file mode 100644 index 0000000000000000000000000000000000000000..21a70f8384e72d6011d1450c6f13560fd93ff52a --- /dev/null +++ b/RFdiffusion/outputs/2023-09-21/12-38-32/run_inference.log @@ -0,0 +1,9 @@ +[2023-09-21 12:38:33,027][__main__][INFO] - //////////////////////////////////////////////// +[2023-09-21 12:38:33,027][__main__][INFO] - ///// NO GPU DETECTED! Falling back to CPU ///// +[2023-09-21 12:38:33,028][__main__][INFO] - //////////////////////////////////////////////// +[2023-09-21 12:38:33,028][rfdiffusion.inference.model_runners][INFO] - Reading checkpoint from C:\Users\adminisiterlator\RFdiffusion\rfdiffusion\inference/../../models/Base_ckpt.pt +[2023-09-21 12:38:37,041][rfdiffusion.inference.model_runners][INFO] - Loading checkpoint. +[2023-09-21 12:38:37,378][rfdiffusion.diffusion][INFO] - Using cached IGSO3. +[2023-09-21 12:38:37,457][__main__][INFO] - Making design testoutputs/binder_test_0 +[2023-09-21 12:38:37,507][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A1-250/0 150-150'] +[2023-09-21 12:38:37,674][rfdiffusion.inference.model_runners][INFO] - Sequence init: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC diff --git a/RFdiffusion/outputs/2023-09-21/18-47-08/.hydra/config.yaml b/RFdiffusion/outputs/2023-09-21/18-47-08/.hydra/config.yaml new file mode 100644 index 0000000000000000000000000000000000000000..874651b0233297a5cf23fe7112da260a9a8b7115 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-21/18-47-08/.hydra/config.yaml @@ -0,0 +1,125 @@ +inference: + input_pdb: C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + num_designs: 1 + design_startnum: 0 + ckpt_override_path: null + symmetry: null + recenter: true + radius: 10.0 + model_only_neighbors: false + output_prefix: testoutputs/binder_test + write_trajectory: true + scaffold_guided: false + model_runner: SelfConditioning + cautious: true + align_motif: true + symmetric_self_cond: true + final_step: 1 + deterministic: false + trb_save_ckpt_path: null + schedule_directory_path: null + model_directory_path: null +contigmap: + contigs: + - A1-250/0 150-150 + inpaint_seq: null + provide_seq: null + length: null +model: + n_extra_block: 4 + n_main_block: 32 + n_ref_block: 4 + d_msa: 256 + d_msa_full: 64 + d_pair: 128 + d_templ: 64 + n_head_msa: 8 + n_head_pair: 4 + n_head_templ: 4 + d_hidden: 32 + d_hidden_templ: 32 + p_drop: 0.15 + SE3_param_full: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 8 + l0_out_features: 8 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 32 + SE3_param_topk: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 64 + l0_out_features: 64 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 64 + freeze_track_motif: false + use_motif_timestep: false +diffuser: + T: 50 + b_0: 0.01 + b_T: 0.07 + schedule_type: linear + so3_type: igso3 + crd_scale: 0.25 + partial_T: null + so3_schedule_type: linear + min_b: 1.5 + max_b: 2.5 + min_sigma: 0.02 + max_sigma: 1.5 +denoiser: + noise_scale_ca: 1 + final_noise_scale_ca: 1 + ca_noise_schedule_type: constant + noise_scale_frame: 1 + final_noise_scale_frame: 1 + frame_noise_schedule_type: constant +ppi: + hotspot_res: null +potentials: + guiding_potentials: null + guide_scale: 10 + guide_decay: constant + olig_inter_all: null + olig_intra_all: null + olig_custom_contact: null + substrate: null +contig_settings: + ref_idx: null + hal_idx: null + idx_rf: null + inpaint_seq_tensor: null +preprocess: + sidechain_input: false + motif_sidechain_input: true + d_t1d: 22 + d_t2d: 44 + prob_self_cond: 0.0 + str_self_cond: false + predict_previous: false +logging: + inputs: false +scaffoldguided: + scaffoldguided: false + target_pdb: false + target_path: null + scaffold_list: null + scaffold_dir: null + sampled_insertion: 0 + sampled_N: 0 + sampled_C: 0 + ss_mask: 0 + systematic: false + target_ss: null + target_adj: null + mask_loops: true + contig_crop: null diff --git a/RFdiffusion/outputs/2023-09-21/18-47-08/.hydra/hydra.yaml b/RFdiffusion/outputs/2023-09-21/18-47-08/.hydra/hydra.yaml new file mode 100644 index 0000000000000000000000000000000000000000..6abe089da1755895f60a7fcb50a0cd07dba1b1f1 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-21/18-47-08/.hydra/hydra.yaml @@ -0,0 +1,159 @@ +hydra: + run: + dir: outputs/${now:%Y-%m-%d}/${now:%H-%M-%S} + sweep: + dir: multirun/${now:%Y-%m-%d}/${now:%H-%M-%S} + subdir: ${hydra.job.num} + launcher: + _target_: hydra._internal.core_plugins.basic_launcher.BasicLauncher + sweeper: + _target_: hydra._internal.core_plugins.basic_sweeper.BasicSweeper + max_batch_size: null + params: null + help: + app_name: ${hydra.job.name} + header: '${hydra.help.app_name} is powered by Hydra. + + ' + footer: 'Powered by Hydra (https://hydra.cc) + + Use --hydra-help to view Hydra specific help + + ' + template: '${hydra.help.header} + + == Configuration groups == + + Compose your configuration from those groups (group=option) + + + $APP_CONFIG_GROUPS + + + == Config == + + Override anything in the config (foo.bar=value) + + + $CONFIG + + + ${hydra.help.footer} + + ' + hydra_help: + template: 'Hydra (${hydra.runtime.version}) + + See https://hydra.cc for more info. + + + == Flags == + + $FLAGS_HELP + + + == Configuration groups == + + Compose your configuration from those groups (For example, append hydra/job_logging=disabled + to command line) + + + $HYDRA_CONFIG_GROUPS + + + Use ''--cfg hydra'' to Show the Hydra config. + + ' + hydra_help: ??? + hydra_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][HYDRA] %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + root: + level: INFO + handlers: + - console + loggers: + logging_example: + level: DEBUG + disable_existing_loggers: false + job_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][%(name)s][%(levelname)s] - %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + file: + class: logging.FileHandler + formatter: simple + filename: ${hydra.runtime.output_dir}/${hydra.job.name}.log + root: + level: INFO + handlers: + - console + - file + disable_existing_loggers: false + env: {} + mode: RUN + searchpath: [] + callbacks: {} + output_subdir: .hydra + overrides: + hydra: + - hydra.mode=RUN + task: + - inference.output_prefix=./ + - inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + - contigmap.contigs=[A1-250/0 150-150] + - inference.output_prefix=testoutputs/binder_test + - inference.num_designs=1 + job: + name: run_inference + chdir: null + override_dirname: contigmap.contigs=[A1-250/0 150-150],inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb,inference.num_designs=1,inference.output_prefix=./,inference.output_prefix=testoutputs/binder_test + id: ??? + num: ??? + config_name: base + env_set: {} + env_copy: [] + config: + override_dirname: + kv_sep: '=' + item_sep: ',' + exclude_keys: [] + runtime: + version: 1.3.2 + version_base: '1.3' + cwd: C:\Users\adminisiterlator\RFdiffusion + config_sources: + - path: hydra.conf + schema: pkg + provider: hydra + - path: C:\Users\adminisiterlator\RFdiffusion\config\inference + schema: file + provider: main + - path: '' + schema: structured + provider: schema + output_dir: C:\Users\adminisiterlator\RFdiffusion\outputs\2023-09-21\18-47-08 + choices: + hydra/env: default + hydra/callbacks: null + hydra/job_logging: default + hydra/hydra_logging: default + hydra/hydra_help: default + hydra/help: default + hydra/sweeper: basic + hydra/launcher: basic + hydra/output: default + verbose: false diff --git a/RFdiffusion/outputs/2023-09-21/18-47-08/.hydra/overrides.yaml b/RFdiffusion/outputs/2023-09-21/18-47-08/.hydra/overrides.yaml new file mode 100644 index 0000000000000000000000000000000000000000..99601a35317632500aace76a8cf657bb88ae3ea8 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-21/18-47-08/.hydra/overrides.yaml @@ -0,0 +1,5 @@ +- inference.output_prefix=./ +- inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb +- contigmap.contigs=[A1-250/0 150-150] +- inference.output_prefix=testoutputs/binder_test +- inference.num_designs=1 diff --git a/RFdiffusion/outputs/2023-09-21/18-47-08/run_inference.log b/RFdiffusion/outputs/2023-09-21/18-47-08/run_inference.log new file mode 100644 index 0000000000000000000000000000000000000000..7216c78ce253197fab6cb61d8e349b743bf43718 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-21/18-47-08/run_inference.log @@ -0,0 +1,9 @@ +[2023-09-21 18:47:09,089][__main__][INFO] - //////////////////////////////////////////////// +[2023-09-21 18:47:09,089][__main__][INFO] - ///// NO GPU DETECTED! Falling back to CPU ///// +[2023-09-21 18:47:09,089][__main__][INFO] - //////////////////////////////////////////////// +[2023-09-21 18:47:09,091][rfdiffusion.inference.model_runners][INFO] - Reading checkpoint from C:\Users\adminisiterlator\RFdiffusion\rfdiffusion\inference/../../models/Base_ckpt.pt +[2023-09-21 18:47:13,009][rfdiffusion.inference.model_runners][INFO] - Loading checkpoint. +[2023-09-21 18:47:13,376][rfdiffusion.diffusion][INFO] - Using cached IGSO3. +[2023-09-21 18:47:13,452][__main__][INFO] - Making design testoutputs/binder_test_0 +[2023-09-21 18:47:13,505][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A1-250/0 150-150'] +[2023-09-21 18:47:13,672][rfdiffusion.inference.model_runners][INFO] - Sequence init: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC diff --git a/RFdiffusion/outputs/2023-09-21/20-38-09/.hydra/config.yaml b/RFdiffusion/outputs/2023-09-21/20-38-09/.hydra/config.yaml new file mode 100644 index 0000000000000000000000000000000000000000..874651b0233297a5cf23fe7112da260a9a8b7115 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-21/20-38-09/.hydra/config.yaml @@ -0,0 +1,125 @@ +inference: + input_pdb: C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + num_designs: 1 + design_startnum: 0 + ckpt_override_path: null + symmetry: null + recenter: true + radius: 10.0 + model_only_neighbors: false + output_prefix: testoutputs/binder_test + write_trajectory: true + scaffold_guided: false + model_runner: SelfConditioning + cautious: true + align_motif: true + symmetric_self_cond: true + final_step: 1 + deterministic: false + trb_save_ckpt_path: null + schedule_directory_path: null + model_directory_path: null +contigmap: + contigs: + - A1-250/0 150-150 + inpaint_seq: null + provide_seq: null + length: null +model: + n_extra_block: 4 + n_main_block: 32 + n_ref_block: 4 + d_msa: 256 + d_msa_full: 64 + d_pair: 128 + d_templ: 64 + n_head_msa: 8 + n_head_pair: 4 + n_head_templ: 4 + d_hidden: 32 + d_hidden_templ: 32 + p_drop: 0.15 + SE3_param_full: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 8 + l0_out_features: 8 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 32 + SE3_param_topk: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 64 + l0_out_features: 64 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 64 + freeze_track_motif: false + use_motif_timestep: false +diffuser: + T: 50 + b_0: 0.01 + b_T: 0.07 + schedule_type: linear + so3_type: igso3 + crd_scale: 0.25 + partial_T: null + so3_schedule_type: linear + min_b: 1.5 + max_b: 2.5 + min_sigma: 0.02 + max_sigma: 1.5 +denoiser: + noise_scale_ca: 1 + final_noise_scale_ca: 1 + ca_noise_schedule_type: constant + noise_scale_frame: 1 + final_noise_scale_frame: 1 + frame_noise_schedule_type: constant +ppi: + hotspot_res: null +potentials: + guiding_potentials: null + guide_scale: 10 + guide_decay: constant + olig_inter_all: null + olig_intra_all: null + olig_custom_contact: null + substrate: null +contig_settings: + ref_idx: null + hal_idx: null + idx_rf: null + inpaint_seq_tensor: null +preprocess: + sidechain_input: false + motif_sidechain_input: true + d_t1d: 22 + d_t2d: 44 + prob_self_cond: 0.0 + str_self_cond: false + predict_previous: false +logging: + inputs: false +scaffoldguided: + scaffoldguided: false + target_pdb: false + target_path: null + scaffold_list: null + scaffold_dir: null + sampled_insertion: 0 + sampled_N: 0 + sampled_C: 0 + ss_mask: 0 + systematic: false + target_ss: null + target_adj: null + mask_loops: true + contig_crop: null diff --git a/RFdiffusion/outputs/2023-09-21/20-38-09/.hydra/hydra.yaml b/RFdiffusion/outputs/2023-09-21/20-38-09/.hydra/hydra.yaml new file mode 100644 index 0000000000000000000000000000000000000000..515bfae70f5949527d893d138e5cce3d131bce24 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-21/20-38-09/.hydra/hydra.yaml @@ -0,0 +1,159 @@ +hydra: + run: + dir: outputs/${now:%Y-%m-%d}/${now:%H-%M-%S} + sweep: + dir: multirun/${now:%Y-%m-%d}/${now:%H-%M-%S} + subdir: ${hydra.job.num} + launcher: + _target_: hydra._internal.core_plugins.basic_launcher.BasicLauncher + sweeper: + _target_: hydra._internal.core_plugins.basic_sweeper.BasicSweeper + max_batch_size: null + params: null + help: + app_name: ${hydra.job.name} + header: '${hydra.help.app_name} is powered by Hydra. + + ' + footer: 'Powered by Hydra (https://hydra.cc) + + Use --hydra-help to view Hydra specific help + + ' + template: '${hydra.help.header} + + == Configuration groups == + + Compose your configuration from those groups (group=option) + + + $APP_CONFIG_GROUPS + + + == Config == + + Override anything in the config (foo.bar=value) + + + $CONFIG + + + ${hydra.help.footer} + + ' + hydra_help: + template: 'Hydra (${hydra.runtime.version}) + + See https://hydra.cc for more info. + + + == Flags == + + $FLAGS_HELP + + + == Configuration groups == + + Compose your configuration from those groups (For example, append hydra/job_logging=disabled + to command line) + + + $HYDRA_CONFIG_GROUPS + + + Use ''--cfg hydra'' to Show the Hydra config. + + ' + hydra_help: ??? + hydra_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][HYDRA] %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + root: + level: INFO + handlers: + - console + loggers: + logging_example: + level: DEBUG + disable_existing_loggers: false + job_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][%(name)s][%(levelname)s] - %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + file: + class: logging.FileHandler + formatter: simple + filename: ${hydra.runtime.output_dir}/${hydra.job.name}.log + root: + level: INFO + handlers: + - console + - file + disable_existing_loggers: false + env: {} + mode: RUN + searchpath: [] + callbacks: {} + output_subdir: .hydra + overrides: + hydra: + - hydra.mode=RUN + task: + - inference.output_prefix=./ + - inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + - contigmap.contigs=[A1-250/0 150-150] + - inference.output_prefix=testoutputs/binder_test + - inference.num_designs=1 + job: + name: run_inference + chdir: null + override_dirname: contigmap.contigs=[A1-250/0 150-150],inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb,inference.num_designs=1,inference.output_prefix=./,inference.output_prefix=testoutputs/binder_test + id: ??? + num: ??? + config_name: base + env_set: {} + env_copy: [] + config: + override_dirname: + kv_sep: '=' + item_sep: ',' + exclude_keys: [] + runtime: + version: 1.3.2 + version_base: '1.3' + cwd: C:\Users\adminisiterlator\RFdiffusion + config_sources: + - path: hydra.conf + schema: pkg + provider: hydra + - path: C:\Users\adminisiterlator\RFdiffusion\config\inference + schema: file + provider: main + - path: '' + schema: structured + provider: schema + output_dir: C:\Users\adminisiterlator\RFdiffusion\outputs\2023-09-21\20-38-09 + choices: + hydra/env: default + hydra/callbacks: null + hydra/job_logging: default + hydra/hydra_logging: default + hydra/hydra_help: default + hydra/help: default + hydra/sweeper: basic + hydra/launcher: basic + hydra/output: default + verbose: false diff --git a/RFdiffusion/outputs/2023-09-21/20-38-09/.hydra/overrides.yaml b/RFdiffusion/outputs/2023-09-21/20-38-09/.hydra/overrides.yaml new file mode 100644 index 0000000000000000000000000000000000000000..99601a35317632500aace76a8cf657bb88ae3ea8 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-21/20-38-09/.hydra/overrides.yaml @@ -0,0 +1,5 @@ +- inference.output_prefix=./ +- inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb +- contigmap.contigs=[A1-250/0 150-150] +- inference.output_prefix=testoutputs/binder_test +- inference.num_designs=1 diff --git a/RFdiffusion/outputs/2023-09-21/20-38-09/run_inference.log b/RFdiffusion/outputs/2023-09-21/20-38-09/run_inference.log new file mode 100644 index 0000000000000000000000000000000000000000..1fd5aa110f3a050529360e761c17cd69d112edb3 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-21/20-38-09/run_inference.log @@ -0,0 +1,9 @@ +[2023-09-21 20:38:09,689][__main__][INFO] - //////////////////////////////////////////////// +[2023-09-21 20:38:09,689][__main__][INFO] - ///// NO GPU DETECTED! Falling back to CPU ///// +[2023-09-21 20:38:09,689][__main__][INFO] - //////////////////////////////////////////////// +[2023-09-21 20:38:09,690][rfdiffusion.inference.model_runners][INFO] - Reading checkpoint from C:\Users\adminisiterlator\RFdiffusion\rfdiffusion\inference/../../models/Base_ckpt.pt +[2023-09-21 20:38:13,966][rfdiffusion.inference.model_runners][INFO] - Loading checkpoint. +[2023-09-21 20:38:14,352][rfdiffusion.diffusion][INFO] - Using cached IGSO3. +[2023-09-21 20:38:14,431][__main__][INFO] - Making design testoutputs/binder_test_0 +[2023-09-21 20:38:14,509][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A1-250/0 150-150'] +[2023-09-21 20:38:14,640][rfdiffusion.inference.model_runners][INFO] - Sequence init: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC diff --git a/RFdiffusion/outputs/2023-09-21/22-55-17/.hydra/config.yaml b/RFdiffusion/outputs/2023-09-21/22-55-17/.hydra/config.yaml new file mode 100644 index 0000000000000000000000000000000000000000..874651b0233297a5cf23fe7112da260a9a8b7115 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-21/22-55-17/.hydra/config.yaml @@ -0,0 +1,125 @@ +inference: + input_pdb: C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + num_designs: 1 + design_startnum: 0 + ckpt_override_path: null + symmetry: null + recenter: true + radius: 10.0 + model_only_neighbors: false + output_prefix: testoutputs/binder_test + write_trajectory: true + scaffold_guided: false + model_runner: SelfConditioning + cautious: true + align_motif: true + symmetric_self_cond: true + final_step: 1 + deterministic: false + trb_save_ckpt_path: null + schedule_directory_path: null + model_directory_path: null +contigmap: + contigs: + - A1-250/0 150-150 + inpaint_seq: null + provide_seq: null + length: null +model: + n_extra_block: 4 + n_main_block: 32 + n_ref_block: 4 + d_msa: 256 + d_msa_full: 64 + d_pair: 128 + d_templ: 64 + n_head_msa: 8 + n_head_pair: 4 + n_head_templ: 4 + d_hidden: 32 + d_hidden_templ: 32 + p_drop: 0.15 + SE3_param_full: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 8 + l0_out_features: 8 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 32 + SE3_param_topk: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 64 + l0_out_features: 64 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 64 + freeze_track_motif: false + use_motif_timestep: false +diffuser: + T: 50 + b_0: 0.01 + b_T: 0.07 + schedule_type: linear + so3_type: igso3 + crd_scale: 0.25 + partial_T: null + so3_schedule_type: linear + min_b: 1.5 + max_b: 2.5 + min_sigma: 0.02 + max_sigma: 1.5 +denoiser: + noise_scale_ca: 1 + final_noise_scale_ca: 1 + ca_noise_schedule_type: constant + noise_scale_frame: 1 + final_noise_scale_frame: 1 + frame_noise_schedule_type: constant +ppi: + hotspot_res: null +potentials: + guiding_potentials: null + guide_scale: 10 + guide_decay: constant + olig_inter_all: null + olig_intra_all: null + olig_custom_contact: null + substrate: null +contig_settings: + ref_idx: null + hal_idx: null + idx_rf: null + inpaint_seq_tensor: null +preprocess: + sidechain_input: false + motif_sidechain_input: true + d_t1d: 22 + d_t2d: 44 + prob_self_cond: 0.0 + str_self_cond: false + predict_previous: false +logging: + inputs: false +scaffoldguided: + scaffoldguided: false + target_pdb: false + target_path: null + scaffold_list: null + scaffold_dir: null + sampled_insertion: 0 + sampled_N: 0 + sampled_C: 0 + ss_mask: 0 + systematic: false + target_ss: null + target_adj: null + mask_loops: true + contig_crop: null diff --git a/RFdiffusion/outputs/2023-09-21/22-55-17/.hydra/hydra.yaml b/RFdiffusion/outputs/2023-09-21/22-55-17/.hydra/hydra.yaml new file mode 100644 index 0000000000000000000000000000000000000000..1517a1ddc7a7182a1c63aa40b2334734a065ee4f --- /dev/null +++ b/RFdiffusion/outputs/2023-09-21/22-55-17/.hydra/hydra.yaml @@ -0,0 +1,159 @@ +hydra: + run: + dir: outputs/${now:%Y-%m-%d}/${now:%H-%M-%S} + sweep: + dir: multirun/${now:%Y-%m-%d}/${now:%H-%M-%S} + subdir: ${hydra.job.num} + launcher: + _target_: hydra._internal.core_plugins.basic_launcher.BasicLauncher + sweeper: + _target_: hydra._internal.core_plugins.basic_sweeper.BasicSweeper + max_batch_size: null + params: null + help: + app_name: ${hydra.job.name} + header: '${hydra.help.app_name} is powered by Hydra. + + ' + footer: 'Powered by Hydra (https://hydra.cc) + + Use --hydra-help to view Hydra specific help + + ' + template: '${hydra.help.header} + + == Configuration groups == + + Compose your configuration from those groups (group=option) + + + $APP_CONFIG_GROUPS + + + == Config == + + Override anything in the config (foo.bar=value) + + + $CONFIG + + + ${hydra.help.footer} + + ' + hydra_help: + template: 'Hydra (${hydra.runtime.version}) + + See https://hydra.cc for more info. + + + == Flags == + + $FLAGS_HELP + + + == Configuration groups == + + Compose your configuration from those groups (For example, append hydra/job_logging=disabled + to command line) + + + $HYDRA_CONFIG_GROUPS + + + Use ''--cfg hydra'' to Show the Hydra config. + + ' + hydra_help: ??? + hydra_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][HYDRA] %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + root: + level: INFO + handlers: + - console + loggers: + logging_example: + level: DEBUG + disable_existing_loggers: false + job_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][%(name)s][%(levelname)s] - %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + file: + class: logging.FileHandler + formatter: simple + filename: ${hydra.runtime.output_dir}/${hydra.job.name}.log + root: + level: INFO + handlers: + - console + - file + disable_existing_loggers: false + env: {} + mode: RUN + searchpath: [] + callbacks: {} + output_subdir: .hydra + overrides: + hydra: + - hydra.mode=RUN + task: + - inference.output_prefix=./ + - inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + - contigmap.contigs=[A1-250/0 150-150] + - inference.output_prefix=testoutputs/binder_test + - inference.num_designs=1 + job: + name: run_inference + chdir: null + override_dirname: contigmap.contigs=[A1-250/0 150-150],inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb,inference.num_designs=1,inference.output_prefix=./,inference.output_prefix=testoutputs/binder_test + id: ??? + num: ??? + config_name: base + env_set: {} + env_copy: [] + config: + override_dirname: + kv_sep: '=' + item_sep: ',' + exclude_keys: [] + runtime: + version: 1.3.2 + version_base: '1.3' + cwd: C:\Users\adminisiterlator\RFdiffusion + config_sources: + - path: hydra.conf + schema: pkg + provider: hydra + - path: C:\Users\adminisiterlator\RFdiffusion\config\inference + schema: file + provider: main + - path: '' + schema: structured + provider: schema + output_dir: C:\Users\adminisiterlator\RFdiffusion\outputs\2023-09-21\22-55-17 + choices: + hydra/env: default + hydra/callbacks: null + hydra/job_logging: default + hydra/hydra_logging: default + hydra/hydra_help: default + hydra/help: default + hydra/sweeper: basic + hydra/launcher: basic + hydra/output: default + verbose: false diff --git a/RFdiffusion/outputs/2023-09-21/22-55-17/.hydra/overrides.yaml b/RFdiffusion/outputs/2023-09-21/22-55-17/.hydra/overrides.yaml new file mode 100644 index 0000000000000000000000000000000000000000..99601a35317632500aace76a8cf657bb88ae3ea8 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-21/22-55-17/.hydra/overrides.yaml @@ -0,0 +1,5 @@ +- inference.output_prefix=./ +- inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb +- contigmap.contigs=[A1-250/0 150-150] +- inference.output_prefix=testoutputs/binder_test +- inference.num_designs=1 diff --git a/RFdiffusion/outputs/2023-09-21/22-55-17/run_inference.log b/RFdiffusion/outputs/2023-09-21/22-55-17/run_inference.log new file mode 100644 index 0000000000000000000000000000000000000000..79b47c9ecc9cec14afabc9319340c0f889b3d349 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-21/22-55-17/run_inference.log @@ -0,0 +1,9 @@ +[2023-09-21 22:55:17,887][__main__][INFO] - //////////////////////////////////////////////// +[2023-09-21 22:55:17,889][__main__][INFO] - ///// NO GPU DETECTED! Falling back to CPU ///// +[2023-09-21 22:55:17,889][__main__][INFO] - //////////////////////////////////////////////// +[2023-09-21 22:55:17,890][rfdiffusion.inference.model_runners][INFO] - Reading checkpoint from C:\Users\adminisiterlator\RFdiffusion\rfdiffusion\inference/../../models/Base_ckpt.pt +[2023-09-21 22:55:21,902][rfdiffusion.inference.model_runners][INFO] - Loading checkpoint. +[2023-09-21 22:55:22,294][rfdiffusion.diffusion][INFO] - Using cached IGSO3. +[2023-09-21 22:55:22,365][__main__][INFO] - Making design testoutputs/binder_test_0 +[2023-09-21 22:55:22,420][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A1-250/0 150-150'] +[2023-09-21 22:55:22,554][rfdiffusion.inference.model_runners][INFO] - Sequence init: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC diff --git a/RFdiffusion/outputs/2023-09-22/12-04-03/.hydra/config.yaml b/RFdiffusion/outputs/2023-09-22/12-04-03/.hydra/config.yaml new file mode 100644 index 0000000000000000000000000000000000000000..874651b0233297a5cf23fe7112da260a9a8b7115 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-22/12-04-03/.hydra/config.yaml @@ -0,0 +1,125 @@ +inference: + input_pdb: C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + num_designs: 1 + design_startnum: 0 + ckpt_override_path: null + symmetry: null + recenter: true + radius: 10.0 + model_only_neighbors: false + output_prefix: testoutputs/binder_test + write_trajectory: true + scaffold_guided: false + model_runner: SelfConditioning + cautious: true + align_motif: true + symmetric_self_cond: true + final_step: 1 + deterministic: false + trb_save_ckpt_path: null + schedule_directory_path: null + model_directory_path: null +contigmap: + contigs: + - A1-250/0 150-150 + inpaint_seq: null + provide_seq: null + length: null +model: + n_extra_block: 4 + n_main_block: 32 + n_ref_block: 4 + d_msa: 256 + d_msa_full: 64 + d_pair: 128 + d_templ: 64 + n_head_msa: 8 + n_head_pair: 4 + n_head_templ: 4 + d_hidden: 32 + d_hidden_templ: 32 + p_drop: 0.15 + SE3_param_full: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 8 + l0_out_features: 8 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 32 + SE3_param_topk: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 64 + l0_out_features: 64 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 64 + freeze_track_motif: false + use_motif_timestep: false +diffuser: + T: 50 + b_0: 0.01 + b_T: 0.07 + schedule_type: linear + so3_type: igso3 + crd_scale: 0.25 + partial_T: null + so3_schedule_type: linear + min_b: 1.5 + max_b: 2.5 + min_sigma: 0.02 + max_sigma: 1.5 +denoiser: + noise_scale_ca: 1 + final_noise_scale_ca: 1 + ca_noise_schedule_type: constant + noise_scale_frame: 1 + final_noise_scale_frame: 1 + frame_noise_schedule_type: constant +ppi: + hotspot_res: null +potentials: + guiding_potentials: null + guide_scale: 10 + guide_decay: constant + olig_inter_all: null + olig_intra_all: null + olig_custom_contact: null + substrate: null +contig_settings: + ref_idx: null + hal_idx: null + idx_rf: null + inpaint_seq_tensor: null +preprocess: + sidechain_input: false + motif_sidechain_input: true + d_t1d: 22 + d_t2d: 44 + prob_self_cond: 0.0 + str_self_cond: false + predict_previous: false +logging: + inputs: false +scaffoldguided: + scaffoldguided: false + target_pdb: false + target_path: null + scaffold_list: null + scaffold_dir: null + sampled_insertion: 0 + sampled_N: 0 + sampled_C: 0 + ss_mask: 0 + systematic: false + target_ss: null + target_adj: null + mask_loops: true + contig_crop: null diff --git a/RFdiffusion/outputs/2023-09-22/12-04-03/.hydra/hydra.yaml b/RFdiffusion/outputs/2023-09-22/12-04-03/.hydra/hydra.yaml new file mode 100644 index 0000000000000000000000000000000000000000..15c6a9bc5d44d5f3002a9f23bfb3b92e97617e93 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-22/12-04-03/.hydra/hydra.yaml @@ -0,0 +1,159 @@ +hydra: + run: + dir: outputs/${now:%Y-%m-%d}/${now:%H-%M-%S} + sweep: + dir: multirun/${now:%Y-%m-%d}/${now:%H-%M-%S} + subdir: ${hydra.job.num} + launcher: + _target_: hydra._internal.core_plugins.basic_launcher.BasicLauncher + sweeper: + _target_: hydra._internal.core_plugins.basic_sweeper.BasicSweeper + max_batch_size: null + params: null + help: + app_name: ${hydra.job.name} + header: '${hydra.help.app_name} is powered by Hydra. + + ' + footer: 'Powered by Hydra (https://hydra.cc) + + Use --hydra-help to view Hydra specific help + + ' + template: '${hydra.help.header} + + == Configuration groups == + + Compose your configuration from those groups (group=option) + + + $APP_CONFIG_GROUPS + + + == Config == + + Override anything in the config (foo.bar=value) + + + $CONFIG + + + ${hydra.help.footer} + + ' + hydra_help: + template: 'Hydra (${hydra.runtime.version}) + + See https://hydra.cc for more info. + + + == Flags == + + $FLAGS_HELP + + + == Configuration groups == + + Compose your configuration from those groups (For example, append hydra/job_logging=disabled + to command line) + + + $HYDRA_CONFIG_GROUPS + + + Use ''--cfg hydra'' to Show the Hydra config. + + ' + hydra_help: ??? + hydra_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][HYDRA] %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + root: + level: INFO + handlers: + - console + loggers: + logging_example: + level: DEBUG + disable_existing_loggers: false + job_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][%(name)s][%(levelname)s] - %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + file: + class: logging.FileHandler + formatter: simple + filename: ${hydra.runtime.output_dir}/${hydra.job.name}.log + root: + level: INFO + handlers: + - console + - file + disable_existing_loggers: false + env: {} + mode: RUN + searchpath: [] + callbacks: {} + output_subdir: .hydra + overrides: + hydra: + - hydra.mode=RUN + task: + - inference.output_prefix=./ + - inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + - contigmap.contigs=[A1-250/0 150-150] + - inference.output_prefix=testoutputs/binder_test + - inference.num_designs=1 + job: + name: run_inference + chdir: null + override_dirname: contigmap.contigs=[A1-250/0 150-150],inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb,inference.num_designs=1,inference.output_prefix=./,inference.output_prefix=testoutputs/binder_test + id: ??? + num: ??? + config_name: base + env_set: {} + env_copy: [] + config: + override_dirname: + kv_sep: '=' + item_sep: ',' + exclude_keys: [] + runtime: + version: 1.3.2 + version_base: '1.3' + cwd: C:\Users\adminisiterlator\RFdiffusion + config_sources: + - path: hydra.conf + schema: pkg + provider: hydra + - path: C:\Users\adminisiterlator\RFdiffusion\config\inference + schema: file + provider: main + - path: '' + schema: structured + provider: schema + output_dir: C:\Users\adminisiterlator\RFdiffusion\outputs\2023-09-22\12-04-03 + choices: + hydra/env: default + hydra/callbacks: null + hydra/job_logging: default + hydra/hydra_logging: default + hydra/hydra_help: default + hydra/help: default + hydra/sweeper: basic + hydra/launcher: basic + hydra/output: default + verbose: false diff --git a/RFdiffusion/outputs/2023-09-22/12-04-03/.hydra/overrides.yaml b/RFdiffusion/outputs/2023-09-22/12-04-03/.hydra/overrides.yaml new file mode 100644 index 0000000000000000000000000000000000000000..99601a35317632500aace76a8cf657bb88ae3ea8 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-22/12-04-03/.hydra/overrides.yaml @@ -0,0 +1,5 @@ +- inference.output_prefix=./ +- inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb +- contigmap.contigs=[A1-250/0 150-150] +- inference.output_prefix=testoutputs/binder_test +- inference.num_designs=1 diff --git a/RFdiffusion/outputs/2023-09-22/12-04-03/run_inference.log b/RFdiffusion/outputs/2023-09-22/12-04-03/run_inference.log new file mode 100644 index 0000000000000000000000000000000000000000..6003a59b4097dd58b34d3f9230a19427f1a427f6 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-22/12-04-03/run_inference.log @@ -0,0 +1,9 @@ +[2023-09-22 12:04:03,593][__main__][INFO] - //////////////////////////////////////////////// +[2023-09-22 12:04:03,593][__main__][INFO] - ///// NO GPU DETECTED! Falling back to CPU ///// +[2023-09-22 12:04:03,594][__main__][INFO] - //////////////////////////////////////////////// +[2023-09-22 12:04:03,595][rfdiffusion.inference.model_runners][INFO] - Reading checkpoint from C:\Users\adminisiterlator\RFdiffusion\rfdiffusion\inference/../../models/Base_ckpt.pt +[2023-09-22 12:04:07,313][rfdiffusion.inference.model_runners][INFO] - Loading checkpoint. +[2023-09-22 12:04:07,711][rfdiffusion.diffusion][INFO] - Using cached IGSO3. +[2023-09-22 12:04:07,785][__main__][INFO] - Making design testoutputs/binder_test_0 +[2023-09-22 12:04:07,847][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A1-250/0 150-150'] +[2023-09-22 12:04:07,978][rfdiffusion.inference.model_runners][INFO] - Sequence init: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC diff --git a/RFdiffusion/outputs/2023-09-22/12-06-27/.hydra/config.yaml b/RFdiffusion/outputs/2023-09-22/12-06-27/.hydra/config.yaml new file mode 100644 index 0000000000000000000000000000000000000000..874651b0233297a5cf23fe7112da260a9a8b7115 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-22/12-06-27/.hydra/config.yaml @@ -0,0 +1,125 @@ +inference: + input_pdb: C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + num_designs: 1 + design_startnum: 0 + ckpt_override_path: null + symmetry: null + recenter: true + radius: 10.0 + model_only_neighbors: false + output_prefix: testoutputs/binder_test + write_trajectory: true + scaffold_guided: false + model_runner: SelfConditioning + cautious: true + align_motif: true + symmetric_self_cond: true + final_step: 1 + deterministic: false + trb_save_ckpt_path: null + schedule_directory_path: null + model_directory_path: null +contigmap: + contigs: + - A1-250/0 150-150 + inpaint_seq: null + provide_seq: null + length: null +model: + n_extra_block: 4 + n_main_block: 32 + n_ref_block: 4 + d_msa: 256 + d_msa_full: 64 + d_pair: 128 + d_templ: 64 + n_head_msa: 8 + n_head_pair: 4 + n_head_templ: 4 + d_hidden: 32 + d_hidden_templ: 32 + p_drop: 0.15 + SE3_param_full: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 8 + l0_out_features: 8 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 32 + SE3_param_topk: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 64 + l0_out_features: 64 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 64 + freeze_track_motif: false + use_motif_timestep: false +diffuser: + T: 50 + b_0: 0.01 + b_T: 0.07 + schedule_type: linear + so3_type: igso3 + crd_scale: 0.25 + partial_T: null + so3_schedule_type: linear + min_b: 1.5 + max_b: 2.5 + min_sigma: 0.02 + max_sigma: 1.5 +denoiser: + noise_scale_ca: 1 + final_noise_scale_ca: 1 + ca_noise_schedule_type: constant + noise_scale_frame: 1 + final_noise_scale_frame: 1 + frame_noise_schedule_type: constant +ppi: + hotspot_res: null +potentials: + guiding_potentials: null + guide_scale: 10 + guide_decay: constant + olig_inter_all: null + olig_intra_all: null + olig_custom_contact: null + substrate: null +contig_settings: + ref_idx: null + hal_idx: null + idx_rf: null + inpaint_seq_tensor: null +preprocess: + sidechain_input: false + motif_sidechain_input: true + d_t1d: 22 + d_t2d: 44 + prob_self_cond: 0.0 + str_self_cond: false + predict_previous: false +logging: + inputs: false +scaffoldguided: + scaffoldguided: false + target_pdb: false + target_path: null + scaffold_list: null + scaffold_dir: null + sampled_insertion: 0 + sampled_N: 0 + sampled_C: 0 + ss_mask: 0 + systematic: false + target_ss: null + target_adj: null + mask_loops: true + contig_crop: null diff --git a/RFdiffusion/outputs/2023-09-22/12-06-27/.hydra/hydra.yaml b/RFdiffusion/outputs/2023-09-22/12-06-27/.hydra/hydra.yaml new file mode 100644 index 0000000000000000000000000000000000000000..e9b22cc127a4a8d4c843a6caf5b78829f324ca4f --- /dev/null +++ b/RFdiffusion/outputs/2023-09-22/12-06-27/.hydra/hydra.yaml @@ -0,0 +1,159 @@ +hydra: + run: + dir: outputs/${now:%Y-%m-%d}/${now:%H-%M-%S} + sweep: + dir: multirun/${now:%Y-%m-%d}/${now:%H-%M-%S} + subdir: ${hydra.job.num} + launcher: + _target_: hydra._internal.core_plugins.basic_launcher.BasicLauncher + sweeper: + _target_: hydra._internal.core_plugins.basic_sweeper.BasicSweeper + max_batch_size: null + params: null + help: + app_name: ${hydra.job.name} + header: '${hydra.help.app_name} is powered by Hydra. + + ' + footer: 'Powered by Hydra (https://hydra.cc) + + Use --hydra-help to view Hydra specific help + + ' + template: '${hydra.help.header} + + == Configuration groups == + + Compose your configuration from those groups (group=option) + + + $APP_CONFIG_GROUPS + + + == Config == + + Override anything in the config (foo.bar=value) + + + $CONFIG + + + ${hydra.help.footer} + + ' + hydra_help: + template: 'Hydra (${hydra.runtime.version}) + + See https://hydra.cc for more info. + + + == Flags == + + $FLAGS_HELP + + + == Configuration groups == + + Compose your configuration from those groups (For example, append hydra/job_logging=disabled + to command line) + + + $HYDRA_CONFIG_GROUPS + + + Use ''--cfg hydra'' to Show the Hydra config. + + ' + hydra_help: ??? + hydra_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][HYDRA] %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + root: + level: INFO + handlers: + - console + loggers: + logging_example: + level: DEBUG + disable_existing_loggers: false + job_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][%(name)s][%(levelname)s] - %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + file: + class: logging.FileHandler + formatter: simple + filename: ${hydra.runtime.output_dir}/${hydra.job.name}.log + root: + level: INFO + handlers: + - console + - file + disable_existing_loggers: false + env: {} + mode: RUN + searchpath: [] + callbacks: {} + output_subdir: .hydra + overrides: + hydra: + - hydra.mode=RUN + task: + - inference.output_prefix=./ + - inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + - contigmap.contigs=[A1-250/0 150-150] + - inference.output_prefix=testoutputs/binder_test + - inference.num_designs=1 + job: + name: run_inference + chdir: null + override_dirname: contigmap.contigs=[A1-250/0 150-150],inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb,inference.num_designs=1,inference.output_prefix=./,inference.output_prefix=testoutputs/binder_test + id: ??? + num: ??? + config_name: base + env_set: {} + env_copy: [] + config: + override_dirname: + kv_sep: '=' + item_sep: ',' + exclude_keys: [] + runtime: + version: 1.3.2 + version_base: '1.3' + cwd: C:\Users\adminisiterlator\RFdiffusion + config_sources: + - path: hydra.conf + schema: pkg + provider: hydra + - path: C:\Users\adminisiterlator\RFdiffusion\config\inference + schema: file + provider: main + - path: '' + schema: structured + provider: schema + output_dir: C:\Users\adminisiterlator\RFdiffusion\outputs\2023-09-22\12-06-27 + choices: + hydra/env: default + hydra/callbacks: null + hydra/job_logging: default + hydra/hydra_logging: default + hydra/hydra_help: default + hydra/help: default + hydra/sweeper: basic + hydra/launcher: basic + hydra/output: default + verbose: false diff --git a/RFdiffusion/outputs/2023-09-22/12-06-27/.hydra/overrides.yaml b/RFdiffusion/outputs/2023-09-22/12-06-27/.hydra/overrides.yaml new file mode 100644 index 0000000000000000000000000000000000000000..99601a35317632500aace76a8cf657bb88ae3ea8 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-22/12-06-27/.hydra/overrides.yaml @@ -0,0 +1,5 @@ +- inference.output_prefix=./ +- inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb +- contigmap.contigs=[A1-250/0 150-150] +- inference.output_prefix=testoutputs/binder_test +- inference.num_designs=1 diff --git a/RFdiffusion/outputs/2023-09-22/12-06-27/run_inference.log b/RFdiffusion/outputs/2023-09-22/12-06-27/run_inference.log new file mode 100644 index 0000000000000000000000000000000000000000..2707c0b7bc568a8a68e6763ad36390c0ca590f41 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-22/12-06-27/run_inference.log @@ -0,0 +1,9 @@ +[2023-09-22 12:06:27,941][__main__][INFO] - //////////////////////////////////////////////// +[2023-09-22 12:06:27,942][__main__][INFO] - ///// NO GPU DETECTED! Falling back to CPU ///// +[2023-09-22 12:06:27,942][__main__][INFO] - //////////////////////////////////////////////// +[2023-09-22 12:06:27,943][rfdiffusion.inference.model_runners][INFO] - Reading checkpoint from C:\Users\adminisiterlator\RFdiffusion\rfdiffusion\inference/../../models/Base_ckpt.pt +[2023-09-22 12:06:31,883][rfdiffusion.inference.model_runners][INFO] - Loading checkpoint. +[2023-09-22 12:06:32,244][rfdiffusion.diffusion][INFO] - Using cached IGSO3. +[2023-09-22 12:06:32,307][__main__][INFO] - Making design testoutputs/binder_test_0 +[2023-09-22 12:06:32,360][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A1-250/0 150-150'] +[2023-09-22 12:06:32,459][rfdiffusion.inference.model_runners][INFO] - Sequence init: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC diff --git a/RFdiffusion/outputs/2023-09-22/13-27-38/.hydra/config.yaml b/RFdiffusion/outputs/2023-09-22/13-27-38/.hydra/config.yaml new file mode 100644 index 0000000000000000000000000000000000000000..874651b0233297a5cf23fe7112da260a9a8b7115 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-22/13-27-38/.hydra/config.yaml @@ -0,0 +1,125 @@ +inference: + input_pdb: C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + num_designs: 1 + design_startnum: 0 + ckpt_override_path: null + symmetry: null + recenter: true + radius: 10.0 + model_only_neighbors: false + output_prefix: testoutputs/binder_test + write_trajectory: true + scaffold_guided: false + model_runner: SelfConditioning + cautious: true + align_motif: true + symmetric_self_cond: true + final_step: 1 + deterministic: false + trb_save_ckpt_path: null + schedule_directory_path: null + model_directory_path: null +contigmap: + contigs: + - A1-250/0 150-150 + inpaint_seq: null + provide_seq: null + length: null +model: + n_extra_block: 4 + n_main_block: 32 + n_ref_block: 4 + d_msa: 256 + d_msa_full: 64 + d_pair: 128 + d_templ: 64 + n_head_msa: 8 + n_head_pair: 4 + n_head_templ: 4 + d_hidden: 32 + d_hidden_templ: 32 + p_drop: 0.15 + SE3_param_full: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 8 + l0_out_features: 8 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 32 + SE3_param_topk: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 64 + l0_out_features: 64 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 64 + freeze_track_motif: false + use_motif_timestep: false +diffuser: + T: 50 + b_0: 0.01 + b_T: 0.07 + schedule_type: linear + so3_type: igso3 + crd_scale: 0.25 + partial_T: null + so3_schedule_type: linear + min_b: 1.5 + max_b: 2.5 + min_sigma: 0.02 + max_sigma: 1.5 +denoiser: + noise_scale_ca: 1 + final_noise_scale_ca: 1 + ca_noise_schedule_type: constant + noise_scale_frame: 1 + final_noise_scale_frame: 1 + frame_noise_schedule_type: constant +ppi: + hotspot_res: null +potentials: + guiding_potentials: null + guide_scale: 10 + guide_decay: constant + olig_inter_all: null + olig_intra_all: null + olig_custom_contact: null + substrate: null +contig_settings: + ref_idx: null + hal_idx: null + idx_rf: null + inpaint_seq_tensor: null +preprocess: + sidechain_input: false + motif_sidechain_input: true + d_t1d: 22 + d_t2d: 44 + prob_self_cond: 0.0 + str_self_cond: false + predict_previous: false +logging: + inputs: false +scaffoldguided: + scaffoldguided: false + target_pdb: false + target_path: null + scaffold_list: null + scaffold_dir: null + sampled_insertion: 0 + sampled_N: 0 + sampled_C: 0 + ss_mask: 0 + systematic: false + target_ss: null + target_adj: null + mask_loops: true + contig_crop: null diff --git a/RFdiffusion/outputs/2023-09-22/13-27-38/.hydra/hydra.yaml b/RFdiffusion/outputs/2023-09-22/13-27-38/.hydra/hydra.yaml new file mode 100644 index 0000000000000000000000000000000000000000..2f81d904a4a29d89adbaa936169aeb7d3a41a9f3 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-22/13-27-38/.hydra/hydra.yaml @@ -0,0 +1,159 @@ +hydra: + run: + dir: outputs/${now:%Y-%m-%d}/${now:%H-%M-%S} + sweep: + dir: multirun/${now:%Y-%m-%d}/${now:%H-%M-%S} + subdir: ${hydra.job.num} + launcher: + _target_: hydra._internal.core_plugins.basic_launcher.BasicLauncher + sweeper: + _target_: hydra._internal.core_plugins.basic_sweeper.BasicSweeper + max_batch_size: null + params: null + help: + app_name: ${hydra.job.name} + header: '${hydra.help.app_name} is powered by Hydra. + + ' + footer: 'Powered by Hydra (https://hydra.cc) + + Use --hydra-help to view Hydra specific help + + ' + template: '${hydra.help.header} + + == Configuration groups == + + Compose your configuration from those groups (group=option) + + + $APP_CONFIG_GROUPS + + + == Config == + + Override anything in the config (foo.bar=value) + + + $CONFIG + + + ${hydra.help.footer} + + ' + hydra_help: + template: 'Hydra (${hydra.runtime.version}) + + See https://hydra.cc for more info. + + + == Flags == + + $FLAGS_HELP + + + == Configuration groups == + + Compose your configuration from those groups (For example, append hydra/job_logging=disabled + to command line) + + + $HYDRA_CONFIG_GROUPS + + + Use ''--cfg hydra'' to Show the Hydra config. + + ' + hydra_help: ??? + hydra_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][HYDRA] %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + root: + level: INFO + handlers: + - console + loggers: + logging_example: + level: DEBUG + disable_existing_loggers: false + job_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][%(name)s][%(levelname)s] - %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + file: + class: logging.FileHandler + formatter: simple + filename: ${hydra.runtime.output_dir}/${hydra.job.name}.log + root: + level: INFO + handlers: + - console + - file + disable_existing_loggers: false + env: {} + mode: RUN + searchpath: [] + callbacks: {} + output_subdir: .hydra + overrides: + hydra: + - hydra.mode=RUN + task: + - inference.output_prefix=./ + - inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + - contigmap.contigs=[A1-250/0 150-150] + - inference.output_prefix=testoutputs/binder_test + - inference.num_designs=1 + job: + name: run_inference + chdir: null + override_dirname: contigmap.contigs=[A1-250/0 150-150],inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb,inference.num_designs=1,inference.output_prefix=./,inference.output_prefix=testoutputs/binder_test + id: ??? + num: ??? + config_name: base + env_set: {} + env_copy: [] + config: + override_dirname: + kv_sep: '=' + item_sep: ',' + exclude_keys: [] + runtime: + version: 1.3.2 + version_base: '1.3' + cwd: C:\Users\adminisiterlator\RFdiffusion + config_sources: + - path: hydra.conf + schema: pkg + provider: hydra + - path: C:\Users\adminisiterlator\RFdiffusion\config\inference + schema: file + provider: main + - path: '' + schema: structured + provider: schema + output_dir: C:\Users\adminisiterlator\RFdiffusion\outputs\2023-09-22\13-27-38 + choices: + hydra/env: default + hydra/callbacks: null + hydra/job_logging: default + hydra/hydra_logging: default + hydra/hydra_help: default + hydra/help: default + hydra/sweeper: basic + hydra/launcher: basic + hydra/output: default + verbose: false diff --git a/RFdiffusion/outputs/2023-09-22/13-27-38/.hydra/overrides.yaml b/RFdiffusion/outputs/2023-09-22/13-27-38/.hydra/overrides.yaml new file mode 100644 index 0000000000000000000000000000000000000000..99601a35317632500aace76a8cf657bb88ae3ea8 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-22/13-27-38/.hydra/overrides.yaml @@ -0,0 +1,5 @@ +- inference.output_prefix=./ +- inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb +- contigmap.contigs=[A1-250/0 150-150] +- inference.output_prefix=testoutputs/binder_test +- inference.num_designs=1 diff --git a/RFdiffusion/outputs/2023-09-22/13-27-38/run_inference.log b/RFdiffusion/outputs/2023-09-22/13-27-38/run_inference.log new file mode 100644 index 0000000000000000000000000000000000000000..faa08b438d8a3b300ca9c768f2297f8a64ca5afd --- /dev/null +++ b/RFdiffusion/outputs/2023-09-22/13-27-38/run_inference.log @@ -0,0 +1,9 @@ +[2023-09-22 13:27:38,098][__main__][INFO] - //////////////////////////////////////////////// +[2023-09-22 13:27:38,099][__main__][INFO] - ///// NO GPU DETECTED! Falling back to CPU ///// +[2023-09-22 13:27:38,099][__main__][INFO] - //////////////////////////////////////////////// +[2023-09-22 13:27:38,100][rfdiffusion.inference.model_runners][INFO] - Reading checkpoint from C:\Users\adminisiterlator\RFdiffusion\rfdiffusion\inference/../../models/Base_ckpt.pt +[2023-09-22 13:27:43,208][rfdiffusion.inference.model_runners][INFO] - Loading checkpoint. +[2023-09-22 13:27:43,759][rfdiffusion.diffusion][INFO] - Using cached IGSO3. +[2023-09-22 13:27:43,871][__main__][INFO] - Making design testoutputs/binder_test_0 +[2023-09-22 13:27:43,912][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A1-250/0 150-150'] +[2023-09-22 13:27:44,051][rfdiffusion.inference.model_runners][INFO] - Sequence init: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC diff --git a/RFdiffusion/outputs/2023-09-22/13-34-33/.hydra/config.yaml b/RFdiffusion/outputs/2023-09-22/13-34-33/.hydra/config.yaml new file mode 100644 index 0000000000000000000000000000000000000000..874651b0233297a5cf23fe7112da260a9a8b7115 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-22/13-34-33/.hydra/config.yaml @@ -0,0 +1,125 @@ +inference: + input_pdb: C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + num_designs: 1 + design_startnum: 0 + ckpt_override_path: null + symmetry: null + recenter: true + radius: 10.0 + model_only_neighbors: false + output_prefix: testoutputs/binder_test + write_trajectory: true + scaffold_guided: false + model_runner: SelfConditioning + cautious: true + align_motif: true + symmetric_self_cond: true + final_step: 1 + deterministic: false + trb_save_ckpt_path: null + schedule_directory_path: null + model_directory_path: null +contigmap: + contigs: + - A1-250/0 150-150 + inpaint_seq: null + provide_seq: null + length: null +model: + n_extra_block: 4 + n_main_block: 32 + n_ref_block: 4 + d_msa: 256 + d_msa_full: 64 + d_pair: 128 + d_templ: 64 + n_head_msa: 8 + n_head_pair: 4 + n_head_templ: 4 + d_hidden: 32 + d_hidden_templ: 32 + p_drop: 0.15 + SE3_param_full: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 8 + l0_out_features: 8 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 32 + SE3_param_topk: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 64 + l0_out_features: 64 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 64 + freeze_track_motif: false + use_motif_timestep: false +diffuser: + T: 50 + b_0: 0.01 + b_T: 0.07 + schedule_type: linear + so3_type: igso3 + crd_scale: 0.25 + partial_T: null + so3_schedule_type: linear + min_b: 1.5 + max_b: 2.5 + min_sigma: 0.02 + max_sigma: 1.5 +denoiser: + noise_scale_ca: 1 + final_noise_scale_ca: 1 + ca_noise_schedule_type: constant + noise_scale_frame: 1 + final_noise_scale_frame: 1 + frame_noise_schedule_type: constant +ppi: + hotspot_res: null +potentials: + guiding_potentials: null + guide_scale: 10 + guide_decay: constant + olig_inter_all: null + olig_intra_all: null + olig_custom_contact: null + substrate: null +contig_settings: + ref_idx: null + hal_idx: null + idx_rf: null + inpaint_seq_tensor: null +preprocess: + sidechain_input: false + motif_sidechain_input: true + d_t1d: 22 + d_t2d: 44 + prob_self_cond: 0.0 + str_self_cond: false + predict_previous: false +logging: + inputs: false +scaffoldguided: + scaffoldguided: false + target_pdb: false + target_path: null + scaffold_list: null + scaffold_dir: null + sampled_insertion: 0 + sampled_N: 0 + sampled_C: 0 + ss_mask: 0 + systematic: false + target_ss: null + target_adj: null + mask_loops: true + contig_crop: null diff --git a/RFdiffusion/outputs/2023-09-22/13-34-33/.hydra/hydra.yaml b/RFdiffusion/outputs/2023-09-22/13-34-33/.hydra/hydra.yaml new file mode 100644 index 0000000000000000000000000000000000000000..5fa1d89ed297f6615df3e0272c7d549fd3be6fa2 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-22/13-34-33/.hydra/hydra.yaml @@ -0,0 +1,159 @@ +hydra: + run: + dir: outputs/${now:%Y-%m-%d}/${now:%H-%M-%S} + sweep: + dir: multirun/${now:%Y-%m-%d}/${now:%H-%M-%S} + subdir: ${hydra.job.num} + launcher: + _target_: hydra._internal.core_plugins.basic_launcher.BasicLauncher + sweeper: + _target_: hydra._internal.core_plugins.basic_sweeper.BasicSweeper + max_batch_size: null + params: null + help: + app_name: ${hydra.job.name} + header: '${hydra.help.app_name} is powered by Hydra. + + ' + footer: 'Powered by Hydra (https://hydra.cc) + + Use --hydra-help to view Hydra specific help + + ' + template: '${hydra.help.header} + + == Configuration groups == + + Compose your configuration from those groups (group=option) + + + $APP_CONFIG_GROUPS + + + == Config == + + Override anything in the config (foo.bar=value) + + + $CONFIG + + + ${hydra.help.footer} + + ' + hydra_help: + template: 'Hydra (${hydra.runtime.version}) + + See https://hydra.cc for more info. + + + == Flags == + + $FLAGS_HELP + + + == Configuration groups == + + Compose your configuration from those groups (For example, append hydra/job_logging=disabled + to command line) + + + $HYDRA_CONFIG_GROUPS + + + Use ''--cfg hydra'' to Show the Hydra config. + + ' + hydra_help: ??? + hydra_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][HYDRA] %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + root: + level: INFO + handlers: + - console + loggers: + logging_example: + level: DEBUG + disable_existing_loggers: false + job_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][%(name)s][%(levelname)s] - %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + file: + class: logging.FileHandler + formatter: simple + filename: ${hydra.runtime.output_dir}/${hydra.job.name}.log + root: + level: INFO + handlers: + - console + - file + disable_existing_loggers: false + env: {} + mode: RUN + searchpath: [] + callbacks: {} + output_subdir: .hydra + overrides: + hydra: + - hydra.mode=RUN + task: + - inference.output_prefix=./ + - inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + - contigmap.contigs=[A1-250/0 150-150] + - inference.output_prefix=testoutputs/binder_test + - inference.num_designs=1 + job: + name: run_inference + chdir: null + override_dirname: contigmap.contigs=[A1-250/0 150-150],inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb,inference.num_designs=1,inference.output_prefix=./,inference.output_prefix=testoutputs/binder_test + id: ??? + num: ??? + config_name: base + env_set: {} + env_copy: [] + config: + override_dirname: + kv_sep: '=' + item_sep: ',' + exclude_keys: [] + runtime: + version: 1.3.2 + version_base: '1.3' + cwd: C:\Users\adminisiterlator\RFdiffusion + config_sources: + - path: hydra.conf + schema: pkg + provider: hydra + - path: C:\Users\adminisiterlator\RFdiffusion\config\inference + schema: file + provider: main + - path: '' + schema: structured + provider: schema + output_dir: C:\Users\adminisiterlator\RFdiffusion\outputs\2023-09-22\13-34-33 + choices: + hydra/env: default + hydra/callbacks: null + hydra/job_logging: default + hydra/hydra_logging: default + hydra/hydra_help: default + hydra/help: default + hydra/sweeper: basic + hydra/launcher: basic + hydra/output: default + verbose: false diff --git a/RFdiffusion/outputs/2023-09-22/13-34-33/.hydra/overrides.yaml b/RFdiffusion/outputs/2023-09-22/13-34-33/.hydra/overrides.yaml new file mode 100644 index 0000000000000000000000000000000000000000..99601a35317632500aace76a8cf657bb88ae3ea8 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-22/13-34-33/.hydra/overrides.yaml @@ -0,0 +1,5 @@ +- inference.output_prefix=./ +- inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb +- contigmap.contigs=[A1-250/0 150-150] +- inference.output_prefix=testoutputs/binder_test +- inference.num_designs=1 diff --git a/RFdiffusion/outputs/2023-09-22/13-34-33/run_inference.log b/RFdiffusion/outputs/2023-09-22/13-34-33/run_inference.log new file mode 100644 index 0000000000000000000000000000000000000000..958b49e493a5733f8aeed5170d1815e26a1ddc4f --- /dev/null +++ b/RFdiffusion/outputs/2023-09-22/13-34-33/run_inference.log @@ -0,0 +1,9 @@ +[2023-09-22 13:34:33,587][__main__][INFO] - //////////////////////////////////////////////// +[2023-09-22 13:34:33,587][__main__][INFO] - ///// NO GPU DETECTED! Falling back to CPU ///// +[2023-09-22 13:34:33,587][__main__][INFO] - //////////////////////////////////////////////// +[2023-09-22 13:34:33,588][rfdiffusion.inference.model_runners][INFO] - Reading checkpoint from C:\Users\adminisiterlator\RFdiffusion\rfdiffusion\inference/../../models/Base_ckpt.pt +[2023-09-22 13:34:37,937][rfdiffusion.inference.model_runners][INFO] - Loading checkpoint. +[2023-09-22 13:34:38,336][rfdiffusion.diffusion][INFO] - Using cached IGSO3. +[2023-09-22 13:34:38,403][__main__][INFO] - Making design testoutputs/binder_test_0 +[2023-09-22 13:34:38,448][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A1-250/0 150-150'] +[2023-09-22 13:34:38,588][rfdiffusion.inference.model_runners][INFO] - Sequence init: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC diff --git a/RFdiffusion/outputs/2023-09-22/15-14-15/.hydra/config.yaml b/RFdiffusion/outputs/2023-09-22/15-14-15/.hydra/config.yaml new file mode 100644 index 0000000000000000000000000000000000000000..874651b0233297a5cf23fe7112da260a9a8b7115 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-22/15-14-15/.hydra/config.yaml @@ -0,0 +1,125 @@ +inference: + input_pdb: C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + num_designs: 1 + design_startnum: 0 + ckpt_override_path: null + symmetry: null + recenter: true + radius: 10.0 + model_only_neighbors: false + output_prefix: testoutputs/binder_test + write_trajectory: true + scaffold_guided: false + model_runner: SelfConditioning + cautious: true + align_motif: true + symmetric_self_cond: true + final_step: 1 + deterministic: false + trb_save_ckpt_path: null + schedule_directory_path: null + model_directory_path: null +contigmap: + contigs: + - A1-250/0 150-150 + inpaint_seq: null + provide_seq: null + length: null +model: + n_extra_block: 4 + n_main_block: 32 + n_ref_block: 4 + d_msa: 256 + d_msa_full: 64 + d_pair: 128 + d_templ: 64 + n_head_msa: 8 + n_head_pair: 4 + n_head_templ: 4 + d_hidden: 32 + d_hidden_templ: 32 + p_drop: 0.15 + SE3_param_full: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 8 + l0_out_features: 8 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 32 + SE3_param_topk: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 64 + l0_out_features: 64 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 64 + freeze_track_motif: false + use_motif_timestep: false +diffuser: + T: 50 + b_0: 0.01 + b_T: 0.07 + schedule_type: linear + so3_type: igso3 + crd_scale: 0.25 + partial_T: null + so3_schedule_type: linear + min_b: 1.5 + max_b: 2.5 + min_sigma: 0.02 + max_sigma: 1.5 +denoiser: + noise_scale_ca: 1 + final_noise_scale_ca: 1 + ca_noise_schedule_type: constant + noise_scale_frame: 1 + final_noise_scale_frame: 1 + frame_noise_schedule_type: constant +ppi: + hotspot_res: null +potentials: + guiding_potentials: null + guide_scale: 10 + guide_decay: constant + olig_inter_all: null + olig_intra_all: null + olig_custom_contact: null + substrate: null +contig_settings: + ref_idx: null + hal_idx: null + idx_rf: null + inpaint_seq_tensor: null +preprocess: + sidechain_input: false + motif_sidechain_input: true + d_t1d: 22 + d_t2d: 44 + prob_self_cond: 0.0 + str_self_cond: false + predict_previous: false +logging: + inputs: false +scaffoldguided: + scaffoldguided: false + target_pdb: false + target_path: null + scaffold_list: null + scaffold_dir: null + sampled_insertion: 0 + sampled_N: 0 + sampled_C: 0 + ss_mask: 0 + systematic: false + target_ss: null + target_adj: null + mask_loops: true + contig_crop: null diff --git a/RFdiffusion/outputs/2023-09-22/15-14-15/.hydra/hydra.yaml b/RFdiffusion/outputs/2023-09-22/15-14-15/.hydra/hydra.yaml new file mode 100644 index 0000000000000000000000000000000000000000..f8ddf793385114ed9fbff2ac2489cdd6366ea4e6 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-22/15-14-15/.hydra/hydra.yaml @@ -0,0 +1,159 @@ +hydra: + run: + dir: outputs/${now:%Y-%m-%d}/${now:%H-%M-%S} + sweep: + dir: multirun/${now:%Y-%m-%d}/${now:%H-%M-%S} + subdir: ${hydra.job.num} + launcher: + _target_: hydra._internal.core_plugins.basic_launcher.BasicLauncher + sweeper: + _target_: hydra._internal.core_plugins.basic_sweeper.BasicSweeper + max_batch_size: null + params: null + help: + app_name: ${hydra.job.name} + header: '${hydra.help.app_name} is powered by Hydra. + + ' + footer: 'Powered by Hydra (https://hydra.cc) + + Use --hydra-help to view Hydra specific help + + ' + template: '${hydra.help.header} + + == Configuration groups == + + Compose your configuration from those groups (group=option) + + + $APP_CONFIG_GROUPS + + + == Config == + + Override anything in the config (foo.bar=value) + + + $CONFIG + + + ${hydra.help.footer} + + ' + hydra_help: + template: 'Hydra (${hydra.runtime.version}) + + See https://hydra.cc for more info. + + + == Flags == + + $FLAGS_HELP + + + == Configuration groups == + + Compose your configuration from those groups (For example, append hydra/job_logging=disabled + to command line) + + + $HYDRA_CONFIG_GROUPS + + + Use ''--cfg hydra'' to Show the Hydra config. + + ' + hydra_help: ??? + hydra_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][HYDRA] %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + root: + level: INFO + handlers: + - console + loggers: + logging_example: + level: DEBUG + disable_existing_loggers: false + job_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][%(name)s][%(levelname)s] - %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + file: + class: logging.FileHandler + formatter: simple + filename: ${hydra.runtime.output_dir}/${hydra.job.name}.log + root: + level: INFO + handlers: + - console + - file + disable_existing_loggers: false + env: {} + mode: RUN + searchpath: [] + callbacks: {} + output_subdir: .hydra + overrides: + hydra: + - hydra.mode=RUN + task: + - inference.output_prefix=./ + - inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + - contigmap.contigs=[A1-250/0 150-150] + - inference.output_prefix=testoutputs/binder_test + - inference.num_designs=1 + job: + name: run_inference + chdir: null + override_dirname: contigmap.contigs=[A1-250/0 150-150],inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb,inference.num_designs=1,inference.output_prefix=./,inference.output_prefix=testoutputs/binder_test + id: ??? + num: ??? + config_name: base + env_set: {} + env_copy: [] + config: + override_dirname: + kv_sep: '=' + item_sep: ',' + exclude_keys: [] + runtime: + version: 1.3.2 + version_base: '1.3' + cwd: C:\Users\adminisiterlator\RFdiffusion + config_sources: + - path: hydra.conf + schema: pkg + provider: hydra + - path: C:\Users\adminisiterlator\RFdiffusion\config\inference + schema: file + provider: main + - path: '' + schema: structured + provider: schema + output_dir: C:\Users\adminisiterlator\RFdiffusion\outputs\2023-09-22\15-14-15 + choices: + hydra/env: default + hydra/callbacks: null + hydra/job_logging: default + hydra/hydra_logging: default + hydra/hydra_help: default + hydra/help: default + hydra/sweeper: basic + hydra/launcher: basic + hydra/output: default + verbose: false diff --git a/RFdiffusion/outputs/2023-09-22/15-14-15/.hydra/overrides.yaml b/RFdiffusion/outputs/2023-09-22/15-14-15/.hydra/overrides.yaml new file mode 100644 index 0000000000000000000000000000000000000000..99601a35317632500aace76a8cf657bb88ae3ea8 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-22/15-14-15/.hydra/overrides.yaml @@ -0,0 +1,5 @@ +- inference.output_prefix=./ +- inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb +- contigmap.contigs=[A1-250/0 150-150] +- inference.output_prefix=testoutputs/binder_test +- inference.num_designs=1 diff --git a/RFdiffusion/outputs/2023-09-22/15-14-15/run_inference.log b/RFdiffusion/outputs/2023-09-22/15-14-15/run_inference.log new file mode 100644 index 0000000000000000000000000000000000000000..d29e66d90669163ba33c4afa15580608fa643f1b --- /dev/null +++ b/RFdiffusion/outputs/2023-09-22/15-14-15/run_inference.log @@ -0,0 +1,9 @@ +[2023-09-22 15:14:15,615][__main__][INFO] - //////////////////////////////////////////////// +[2023-09-22 15:14:15,615][__main__][INFO] - ///// NO GPU DETECTED! Falling back to CPU ///// +[2023-09-22 15:14:15,616][__main__][INFO] - //////////////////////////////////////////////// +[2023-09-22 15:14:15,616][rfdiffusion.inference.model_runners][INFO] - Reading checkpoint from C:\Users\adminisiterlator\RFdiffusion\rfdiffusion\inference/../../models/Base_ckpt.pt +[2023-09-22 15:14:21,042][rfdiffusion.inference.model_runners][INFO] - Loading checkpoint. +[2023-09-22 15:14:21,569][rfdiffusion.diffusion][INFO] - Using cached IGSO3. +[2023-09-22 15:14:21,665][__main__][INFO] - Making design testoutputs/binder_test_0 +[2023-09-22 15:14:21,706][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A1-250/0 150-150'] +[2023-09-22 15:14:21,857][rfdiffusion.inference.model_runners][INFO] - Sequence init: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC diff --git a/RFdiffusion/outputs/2023-09-22/19-31-05/.hydra/config.yaml b/RFdiffusion/outputs/2023-09-22/19-31-05/.hydra/config.yaml new file mode 100644 index 0000000000000000000000000000000000000000..874651b0233297a5cf23fe7112da260a9a8b7115 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-22/19-31-05/.hydra/config.yaml @@ -0,0 +1,125 @@ +inference: + input_pdb: C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + num_designs: 1 + design_startnum: 0 + ckpt_override_path: null + symmetry: null + recenter: true + radius: 10.0 + model_only_neighbors: false + output_prefix: testoutputs/binder_test + write_trajectory: true + scaffold_guided: false + model_runner: SelfConditioning + cautious: true + align_motif: true + symmetric_self_cond: true + final_step: 1 + deterministic: false + trb_save_ckpt_path: null + schedule_directory_path: null + model_directory_path: null +contigmap: + contigs: + - A1-250/0 150-150 + inpaint_seq: null + provide_seq: null + length: null +model: + n_extra_block: 4 + n_main_block: 32 + n_ref_block: 4 + d_msa: 256 + d_msa_full: 64 + d_pair: 128 + d_templ: 64 + n_head_msa: 8 + n_head_pair: 4 + n_head_templ: 4 + d_hidden: 32 + d_hidden_templ: 32 + p_drop: 0.15 + SE3_param_full: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 8 + l0_out_features: 8 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 32 + SE3_param_topk: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 64 + l0_out_features: 64 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 64 + freeze_track_motif: false + use_motif_timestep: false +diffuser: + T: 50 + b_0: 0.01 + b_T: 0.07 + schedule_type: linear + so3_type: igso3 + crd_scale: 0.25 + partial_T: null + so3_schedule_type: linear + min_b: 1.5 + max_b: 2.5 + min_sigma: 0.02 + max_sigma: 1.5 +denoiser: + noise_scale_ca: 1 + final_noise_scale_ca: 1 + ca_noise_schedule_type: constant + noise_scale_frame: 1 + final_noise_scale_frame: 1 + frame_noise_schedule_type: constant +ppi: + hotspot_res: null +potentials: + guiding_potentials: null + guide_scale: 10 + guide_decay: constant + olig_inter_all: null + olig_intra_all: null + olig_custom_contact: null + substrate: null +contig_settings: + ref_idx: null + hal_idx: null + idx_rf: null + inpaint_seq_tensor: null +preprocess: + sidechain_input: false + motif_sidechain_input: true + d_t1d: 22 + d_t2d: 44 + prob_self_cond: 0.0 + str_self_cond: false + predict_previous: false +logging: + inputs: false +scaffoldguided: + scaffoldguided: false + target_pdb: false + target_path: null + scaffold_list: null + scaffold_dir: null + sampled_insertion: 0 + sampled_N: 0 + sampled_C: 0 + ss_mask: 0 + systematic: false + target_ss: null + target_adj: null + mask_loops: true + contig_crop: null diff --git a/RFdiffusion/outputs/2023-09-22/19-31-05/.hydra/hydra.yaml b/RFdiffusion/outputs/2023-09-22/19-31-05/.hydra/hydra.yaml new file mode 100644 index 0000000000000000000000000000000000000000..a48f7df796bc613e3f4f143fabd8483c2d8acab1 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-22/19-31-05/.hydra/hydra.yaml @@ -0,0 +1,159 @@ +hydra: + run: + dir: outputs/${now:%Y-%m-%d}/${now:%H-%M-%S} + sweep: + dir: multirun/${now:%Y-%m-%d}/${now:%H-%M-%S} + subdir: ${hydra.job.num} + launcher: + _target_: hydra._internal.core_plugins.basic_launcher.BasicLauncher + sweeper: + _target_: hydra._internal.core_plugins.basic_sweeper.BasicSweeper + max_batch_size: null + params: null + help: + app_name: ${hydra.job.name} + header: '${hydra.help.app_name} is powered by Hydra. + + ' + footer: 'Powered by Hydra (https://hydra.cc) + + Use --hydra-help to view Hydra specific help + + ' + template: '${hydra.help.header} + + == Configuration groups == + + Compose your configuration from those groups (group=option) + + + $APP_CONFIG_GROUPS + + + == Config == + + Override anything in the config (foo.bar=value) + + + $CONFIG + + + ${hydra.help.footer} + + ' + hydra_help: + template: 'Hydra (${hydra.runtime.version}) + + See https://hydra.cc for more info. + + + == Flags == + + $FLAGS_HELP + + + == Configuration groups == + + Compose your configuration from those groups (For example, append hydra/job_logging=disabled + to command line) + + + $HYDRA_CONFIG_GROUPS + + + Use ''--cfg hydra'' to Show the Hydra config. + + ' + hydra_help: ??? + hydra_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][HYDRA] %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + root: + level: INFO + handlers: + - console + loggers: + logging_example: + level: DEBUG + disable_existing_loggers: false + job_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][%(name)s][%(levelname)s] - %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + file: + class: logging.FileHandler + formatter: simple + filename: ${hydra.runtime.output_dir}/${hydra.job.name}.log + root: + level: INFO + handlers: + - console + - file + disable_existing_loggers: false + env: {} + mode: RUN + searchpath: [] + callbacks: {} + output_subdir: .hydra + overrides: + hydra: + - hydra.mode=RUN + task: + - inference.output_prefix=./ + - inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + - contigmap.contigs=[A1-250/0 150-150] + - inference.output_prefix=testoutputs/binder_test + - inference.num_designs=1 + job: + name: run_inference + chdir: null + override_dirname: contigmap.contigs=[A1-250/0 150-150],inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb,inference.num_designs=1,inference.output_prefix=./,inference.output_prefix=testoutputs/binder_test + id: ??? + num: ??? + config_name: base + env_set: {} + env_copy: [] + config: + override_dirname: + kv_sep: '=' + item_sep: ',' + exclude_keys: [] + runtime: + version: 1.3.2 + version_base: '1.3' + cwd: C:\Users\adminisiterlator\RFdiffusion + config_sources: + - path: hydra.conf + schema: pkg + provider: hydra + - path: C:\Users\adminisiterlator\RFdiffusion\config\inference + schema: file + provider: main + - path: '' + schema: structured + provider: schema + output_dir: C:\Users\adminisiterlator\RFdiffusion\outputs\2023-09-22\19-31-05 + choices: + hydra/env: default + hydra/callbacks: null + hydra/job_logging: default + hydra/hydra_logging: default + hydra/hydra_help: default + hydra/help: default + hydra/sweeper: basic + hydra/launcher: basic + hydra/output: default + verbose: false diff --git a/RFdiffusion/outputs/2023-09-22/19-31-05/.hydra/overrides.yaml b/RFdiffusion/outputs/2023-09-22/19-31-05/.hydra/overrides.yaml new file mode 100644 index 0000000000000000000000000000000000000000..99601a35317632500aace76a8cf657bb88ae3ea8 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-22/19-31-05/.hydra/overrides.yaml @@ -0,0 +1,5 @@ +- inference.output_prefix=./ +- inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb +- contigmap.contigs=[A1-250/0 150-150] +- inference.output_prefix=testoutputs/binder_test +- inference.num_designs=1 diff --git a/RFdiffusion/outputs/2023-09-22/19-31-05/run_inference.log b/RFdiffusion/outputs/2023-09-22/19-31-05/run_inference.log new file mode 100644 index 0000000000000000000000000000000000000000..e97a5219ba2f7bfc0db3a4c546394ff32a97fcf9 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-22/19-31-05/run_inference.log @@ -0,0 +1,9 @@ +[2023-09-22 19:31:05,148][__main__][INFO] - //////////////////////////////////////////////// +[2023-09-22 19:31:05,148][__main__][INFO] - ///// NO GPU DETECTED! Falling back to CPU ///// +[2023-09-22 19:31:05,149][__main__][INFO] - //////////////////////////////////////////////// +[2023-09-22 19:31:05,150][rfdiffusion.inference.model_runners][INFO] - Reading checkpoint from C:\Users\adminisiterlator\RFdiffusion\rfdiffusion\inference/../../models/Base_ckpt.pt +[2023-09-22 19:31:09,463][rfdiffusion.inference.model_runners][INFO] - Loading checkpoint. +[2023-09-22 19:31:09,859][rfdiffusion.diffusion][INFO] - Using cached IGSO3. +[2023-09-22 19:31:09,950][__main__][INFO] - Making design testoutputs/binder_test_0 +[2023-09-22 19:31:09,987][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A1-250/0 150-150'] +[2023-09-22 19:31:10,139][rfdiffusion.inference.model_runners][INFO] - Sequence init: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC diff --git a/RFdiffusion/outputs/2023-09-22/19-34-49/.hydra/config.yaml b/RFdiffusion/outputs/2023-09-22/19-34-49/.hydra/config.yaml new file mode 100644 index 0000000000000000000000000000000000000000..874651b0233297a5cf23fe7112da260a9a8b7115 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-22/19-34-49/.hydra/config.yaml @@ -0,0 +1,125 @@ +inference: + input_pdb: C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + num_designs: 1 + design_startnum: 0 + ckpt_override_path: null + symmetry: null + recenter: true + radius: 10.0 + model_only_neighbors: false + output_prefix: testoutputs/binder_test + write_trajectory: true + scaffold_guided: false + model_runner: SelfConditioning + cautious: true + align_motif: true + symmetric_self_cond: true + final_step: 1 + deterministic: false + trb_save_ckpt_path: null + schedule_directory_path: null + model_directory_path: null +contigmap: + contigs: + - A1-250/0 150-150 + inpaint_seq: null + provide_seq: null + length: null +model: + n_extra_block: 4 + n_main_block: 32 + n_ref_block: 4 + d_msa: 256 + d_msa_full: 64 + d_pair: 128 + d_templ: 64 + n_head_msa: 8 + n_head_pair: 4 + n_head_templ: 4 + d_hidden: 32 + d_hidden_templ: 32 + p_drop: 0.15 + SE3_param_full: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 8 + l0_out_features: 8 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 32 + SE3_param_topk: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 64 + l0_out_features: 64 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 64 + freeze_track_motif: false + use_motif_timestep: false +diffuser: + T: 50 + b_0: 0.01 + b_T: 0.07 + schedule_type: linear + so3_type: igso3 + crd_scale: 0.25 + partial_T: null + so3_schedule_type: linear + min_b: 1.5 + max_b: 2.5 + min_sigma: 0.02 + max_sigma: 1.5 +denoiser: + noise_scale_ca: 1 + final_noise_scale_ca: 1 + ca_noise_schedule_type: constant + noise_scale_frame: 1 + final_noise_scale_frame: 1 + frame_noise_schedule_type: constant +ppi: + hotspot_res: null +potentials: + guiding_potentials: null + guide_scale: 10 + guide_decay: constant + olig_inter_all: null + olig_intra_all: null + olig_custom_contact: null + substrate: null +contig_settings: + ref_idx: null + hal_idx: null + idx_rf: null + inpaint_seq_tensor: null +preprocess: + sidechain_input: false + motif_sidechain_input: true + d_t1d: 22 + d_t2d: 44 + prob_self_cond: 0.0 + str_self_cond: false + predict_previous: false +logging: + inputs: false +scaffoldguided: + scaffoldguided: false + target_pdb: false + target_path: null + scaffold_list: null + scaffold_dir: null + sampled_insertion: 0 + sampled_N: 0 + sampled_C: 0 + ss_mask: 0 + systematic: false + target_ss: null + target_adj: null + mask_loops: true + contig_crop: null diff --git a/RFdiffusion/outputs/2023-09-22/19-34-49/.hydra/hydra.yaml b/RFdiffusion/outputs/2023-09-22/19-34-49/.hydra/hydra.yaml new file mode 100644 index 0000000000000000000000000000000000000000..c069539508eefa8e7dbb0c4faff990867feadb5d --- /dev/null +++ b/RFdiffusion/outputs/2023-09-22/19-34-49/.hydra/hydra.yaml @@ -0,0 +1,159 @@ +hydra: + run: + dir: outputs/${now:%Y-%m-%d}/${now:%H-%M-%S} + sweep: + dir: multirun/${now:%Y-%m-%d}/${now:%H-%M-%S} + subdir: ${hydra.job.num} + launcher: + _target_: hydra._internal.core_plugins.basic_launcher.BasicLauncher + sweeper: + _target_: hydra._internal.core_plugins.basic_sweeper.BasicSweeper + max_batch_size: null + params: null + help: + app_name: ${hydra.job.name} + header: '${hydra.help.app_name} is powered by Hydra. + + ' + footer: 'Powered by Hydra (https://hydra.cc) + + Use --hydra-help to view Hydra specific help + + ' + template: '${hydra.help.header} + + == Configuration groups == + + Compose your configuration from those groups (group=option) + + + $APP_CONFIG_GROUPS + + + == Config == + + Override anything in the config (foo.bar=value) + + + $CONFIG + + + ${hydra.help.footer} + + ' + hydra_help: + template: 'Hydra (${hydra.runtime.version}) + + See https://hydra.cc for more info. + + + == Flags == + + $FLAGS_HELP + + + == Configuration groups == + + Compose your configuration from those groups (For example, append hydra/job_logging=disabled + to command line) + + + $HYDRA_CONFIG_GROUPS + + + Use ''--cfg hydra'' to Show the Hydra config. + + ' + hydra_help: ??? + hydra_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][HYDRA] %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + root: + level: INFO + handlers: + - console + loggers: + logging_example: + level: DEBUG + disable_existing_loggers: false + job_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][%(name)s][%(levelname)s] - %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + file: + class: logging.FileHandler + formatter: simple + filename: ${hydra.runtime.output_dir}/${hydra.job.name}.log + root: + level: INFO + handlers: + - console + - file + disable_existing_loggers: false + env: {} + mode: RUN + searchpath: [] + callbacks: {} + output_subdir: .hydra + overrides: + hydra: + - hydra.mode=RUN + task: + - inference.output_prefix=./ + - inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + - contigmap.contigs=[A1-250/0 150-150] + - inference.output_prefix=testoutputs/binder_test + - inference.num_designs=1 + job: + name: run_inference + chdir: null + override_dirname: contigmap.contigs=[A1-250/0 150-150],inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb,inference.num_designs=1,inference.output_prefix=./,inference.output_prefix=testoutputs/binder_test + id: ??? + num: ??? + config_name: base + env_set: {} + env_copy: [] + config: + override_dirname: + kv_sep: '=' + item_sep: ',' + exclude_keys: [] + runtime: + version: 1.3.2 + version_base: '1.3' + cwd: C:\Users\adminisiterlator\RFdiffusion + config_sources: + - path: hydra.conf + schema: pkg + provider: hydra + - path: C:\Users\adminisiterlator\RFdiffusion\config\inference + schema: file + provider: main + - path: '' + schema: structured + provider: schema + output_dir: C:\Users\adminisiterlator\RFdiffusion\outputs\2023-09-22\19-34-49 + choices: + hydra/env: default + hydra/callbacks: null + hydra/job_logging: default + hydra/hydra_logging: default + hydra/hydra_help: default + hydra/help: default + hydra/sweeper: basic + hydra/launcher: basic + hydra/output: default + verbose: false diff --git a/RFdiffusion/outputs/2023-09-22/19-34-49/.hydra/overrides.yaml b/RFdiffusion/outputs/2023-09-22/19-34-49/.hydra/overrides.yaml new file mode 100644 index 0000000000000000000000000000000000000000..99601a35317632500aace76a8cf657bb88ae3ea8 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-22/19-34-49/.hydra/overrides.yaml @@ -0,0 +1,5 @@ +- inference.output_prefix=./ +- inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb +- contigmap.contigs=[A1-250/0 150-150] +- inference.output_prefix=testoutputs/binder_test +- inference.num_designs=1 diff --git a/RFdiffusion/outputs/2023-09-22/19-34-49/run_inference.log b/RFdiffusion/outputs/2023-09-22/19-34-49/run_inference.log new file mode 100644 index 0000000000000000000000000000000000000000..62687f8606e9457b7aff4bc2828dfb5e99839436 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-22/19-34-49/run_inference.log @@ -0,0 +1,9 @@ +[2023-09-22 19:34:49,442][__main__][INFO] - //////////////////////////////////////////////// +[2023-09-22 19:34:49,442][__main__][INFO] - ///// NO GPU DETECTED! Falling back to CPU ///// +[2023-09-22 19:34:49,442][__main__][INFO] - //////////////////////////////////////////////// +[2023-09-22 19:34:49,443][rfdiffusion.inference.model_runners][INFO] - Reading checkpoint from C:\Users\adminisiterlator\RFdiffusion\rfdiffusion\inference/../../models/Base_ckpt.pt +[2023-09-22 19:34:52,954][rfdiffusion.inference.model_runners][INFO] - Loading checkpoint. +[2023-09-22 19:34:53,321][rfdiffusion.diffusion][INFO] - Using cached IGSO3. +[2023-09-22 19:34:53,363][__main__][INFO] - Making design testoutputs/binder_test_0 +[2023-09-22 19:34:53,418][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A1-250/0 150-150'] +[2023-09-22 19:34:53,497][rfdiffusion.inference.model_runners][INFO] - Sequence init: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC diff --git a/RFdiffusion/outputs/2023-09-23/13-23-51/.hydra/config.yaml b/RFdiffusion/outputs/2023-09-23/13-23-51/.hydra/config.yaml new file mode 100644 index 0000000000000000000000000000000000000000..874651b0233297a5cf23fe7112da260a9a8b7115 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-23/13-23-51/.hydra/config.yaml @@ -0,0 +1,125 @@ +inference: + input_pdb: C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + num_designs: 1 + design_startnum: 0 + ckpt_override_path: null + symmetry: null + recenter: true + radius: 10.0 + model_only_neighbors: false + output_prefix: testoutputs/binder_test + write_trajectory: true + scaffold_guided: false + model_runner: SelfConditioning + cautious: true + align_motif: true + symmetric_self_cond: true + final_step: 1 + deterministic: false + trb_save_ckpt_path: null + schedule_directory_path: null + model_directory_path: null +contigmap: + contigs: + - A1-250/0 150-150 + inpaint_seq: null + provide_seq: null + length: null +model: + n_extra_block: 4 + n_main_block: 32 + n_ref_block: 4 + d_msa: 256 + d_msa_full: 64 + d_pair: 128 + d_templ: 64 + n_head_msa: 8 + n_head_pair: 4 + n_head_templ: 4 + d_hidden: 32 + d_hidden_templ: 32 + p_drop: 0.15 + SE3_param_full: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 8 + l0_out_features: 8 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 32 + SE3_param_topk: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 64 + l0_out_features: 64 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 64 + freeze_track_motif: false + use_motif_timestep: false +diffuser: + T: 50 + b_0: 0.01 + b_T: 0.07 + schedule_type: linear + so3_type: igso3 + crd_scale: 0.25 + partial_T: null + so3_schedule_type: linear + min_b: 1.5 + max_b: 2.5 + min_sigma: 0.02 + max_sigma: 1.5 +denoiser: + noise_scale_ca: 1 + final_noise_scale_ca: 1 + ca_noise_schedule_type: constant + noise_scale_frame: 1 + final_noise_scale_frame: 1 + frame_noise_schedule_type: constant +ppi: + hotspot_res: null +potentials: + guiding_potentials: null + guide_scale: 10 + guide_decay: constant + olig_inter_all: null + olig_intra_all: null + olig_custom_contact: null + substrate: null +contig_settings: + ref_idx: null + hal_idx: null + idx_rf: null + inpaint_seq_tensor: null +preprocess: + sidechain_input: false + motif_sidechain_input: true + d_t1d: 22 + d_t2d: 44 + prob_self_cond: 0.0 + str_self_cond: false + predict_previous: false +logging: + inputs: false +scaffoldguided: + scaffoldguided: false + target_pdb: false + target_path: null + scaffold_list: null + scaffold_dir: null + sampled_insertion: 0 + sampled_N: 0 + sampled_C: 0 + ss_mask: 0 + systematic: false + target_ss: null + target_adj: null + mask_loops: true + contig_crop: null diff --git a/RFdiffusion/outputs/2023-09-23/13-23-51/.hydra/hydra.yaml b/RFdiffusion/outputs/2023-09-23/13-23-51/.hydra/hydra.yaml new file mode 100644 index 0000000000000000000000000000000000000000..a22440b548dbe33996afcb2de907222024c97361 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-23/13-23-51/.hydra/hydra.yaml @@ -0,0 +1,159 @@ +hydra: + run: + dir: outputs/${now:%Y-%m-%d}/${now:%H-%M-%S} + sweep: + dir: multirun/${now:%Y-%m-%d}/${now:%H-%M-%S} + subdir: ${hydra.job.num} + launcher: + _target_: hydra._internal.core_plugins.basic_launcher.BasicLauncher + sweeper: + _target_: hydra._internal.core_plugins.basic_sweeper.BasicSweeper + max_batch_size: null + params: null + help: + app_name: ${hydra.job.name} + header: '${hydra.help.app_name} is powered by Hydra. + + ' + footer: 'Powered by Hydra (https://hydra.cc) + + Use --hydra-help to view Hydra specific help + + ' + template: '${hydra.help.header} + + == Configuration groups == + + Compose your configuration from those groups (group=option) + + + $APP_CONFIG_GROUPS + + + == Config == + + Override anything in the config (foo.bar=value) + + + $CONFIG + + + ${hydra.help.footer} + + ' + hydra_help: + template: 'Hydra (${hydra.runtime.version}) + + See https://hydra.cc for more info. + + + == Flags == + + $FLAGS_HELP + + + == Configuration groups == + + Compose your configuration from those groups (For example, append hydra/job_logging=disabled + to command line) + + + $HYDRA_CONFIG_GROUPS + + + Use ''--cfg hydra'' to Show the Hydra config. + + ' + hydra_help: ??? + hydra_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][HYDRA] %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + root: + level: INFO + handlers: + - console + loggers: + logging_example: + level: DEBUG + disable_existing_loggers: false + job_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][%(name)s][%(levelname)s] - %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + file: + class: logging.FileHandler + formatter: simple + filename: ${hydra.runtime.output_dir}/${hydra.job.name}.log + root: + level: INFO + handlers: + - console + - file + disable_existing_loggers: false + env: {} + mode: RUN + searchpath: [] + callbacks: {} + output_subdir: .hydra + overrides: + hydra: + - hydra.mode=RUN + task: + - inference.output_prefix=./ + - inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + - contigmap.contigs=[A1-250/0 150-150] + - inference.output_prefix=testoutputs/binder_test + - inference.num_designs=1 + job: + name: run_inference + chdir: null + override_dirname: contigmap.contigs=[A1-250/0 150-150],inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb,inference.num_designs=1,inference.output_prefix=./,inference.output_prefix=testoutputs/binder_test + id: ??? + num: ??? + config_name: base + env_set: {} + env_copy: [] + config: + override_dirname: + kv_sep: '=' + item_sep: ',' + exclude_keys: [] + runtime: + version: 1.3.2 + version_base: '1.3' + cwd: C:\Users\adminisiterlator\RFdiffusion + config_sources: + - path: hydra.conf + schema: pkg + provider: hydra + - path: C:\Users\adminisiterlator\RFdiffusion\config\inference + schema: file + provider: main + - path: '' + schema: structured + provider: schema + output_dir: C:\Users\adminisiterlator\RFdiffusion\outputs\2023-09-23\13-23-51 + choices: + hydra/env: default + hydra/callbacks: null + hydra/job_logging: default + hydra/hydra_logging: default + hydra/hydra_help: default + hydra/help: default + hydra/sweeper: basic + hydra/launcher: basic + hydra/output: default + verbose: false diff --git a/RFdiffusion/outputs/2023-09-23/13-23-51/.hydra/overrides.yaml b/RFdiffusion/outputs/2023-09-23/13-23-51/.hydra/overrides.yaml new file mode 100644 index 0000000000000000000000000000000000000000..99601a35317632500aace76a8cf657bb88ae3ea8 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-23/13-23-51/.hydra/overrides.yaml @@ -0,0 +1,5 @@ +- inference.output_prefix=./ +- inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb +- contigmap.contigs=[A1-250/0 150-150] +- inference.output_prefix=testoutputs/binder_test +- inference.num_designs=1 diff --git a/RFdiffusion/outputs/2023-09-23/13-23-51/run_inference.log b/RFdiffusion/outputs/2023-09-23/13-23-51/run_inference.log new file mode 100644 index 0000000000000000000000000000000000000000..c9f216cb04703c420c3080f66a338fa8371d5281 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-23/13-23-51/run_inference.log @@ -0,0 +1,9 @@ +[2023-09-23 13:23:52,071][__main__][INFO] - //////////////////////////////////////////////// +[2023-09-23 13:23:52,072][__main__][INFO] - ///// NO GPU DETECTED! Falling back to CPU ///// +[2023-09-23 13:23:52,072][__main__][INFO] - //////////////////////////////////////////////// +[2023-09-23 13:23:52,073][rfdiffusion.inference.model_runners][INFO] - Reading checkpoint from C:\Users\adminisiterlator\RFdiffusion\rfdiffusion\inference/../../models/Base_ckpt.pt +[2023-09-23 13:23:56,168][rfdiffusion.inference.model_runners][INFO] - Loading checkpoint. +[2023-09-23 13:24:03,128][rfdiffusion.diffusion][INFO] - Using cached IGSO3. +[2023-09-23 13:24:03,251][__main__][INFO] - Making design testoutputs/binder_test_0 +[2023-09-23 13:24:03,293][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A1-250/0 150-150'] +[2023-09-23 13:24:03,441][rfdiffusion.inference.model_runners][INFO] - Sequence init: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC diff --git a/RFdiffusion/outputs/2023-09-23/13-33-45/.hydra/config.yaml b/RFdiffusion/outputs/2023-09-23/13-33-45/.hydra/config.yaml new file mode 100644 index 0000000000000000000000000000000000000000..874651b0233297a5cf23fe7112da260a9a8b7115 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-23/13-33-45/.hydra/config.yaml @@ -0,0 +1,125 @@ +inference: + input_pdb: C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + num_designs: 1 + design_startnum: 0 + ckpt_override_path: null + symmetry: null + recenter: true + radius: 10.0 + model_only_neighbors: false + output_prefix: testoutputs/binder_test + write_trajectory: true + scaffold_guided: false + model_runner: SelfConditioning + cautious: true + align_motif: true + symmetric_self_cond: true + final_step: 1 + deterministic: false + trb_save_ckpt_path: null + schedule_directory_path: null + model_directory_path: null +contigmap: + contigs: + - A1-250/0 150-150 + inpaint_seq: null + provide_seq: null + length: null +model: + n_extra_block: 4 + n_main_block: 32 + n_ref_block: 4 + d_msa: 256 + d_msa_full: 64 + d_pair: 128 + d_templ: 64 + n_head_msa: 8 + n_head_pair: 4 + n_head_templ: 4 + d_hidden: 32 + d_hidden_templ: 32 + p_drop: 0.15 + SE3_param_full: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 8 + l0_out_features: 8 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 32 + SE3_param_topk: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 64 + l0_out_features: 64 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 64 + freeze_track_motif: false + use_motif_timestep: false +diffuser: + T: 50 + b_0: 0.01 + b_T: 0.07 + schedule_type: linear + so3_type: igso3 + crd_scale: 0.25 + partial_T: null + so3_schedule_type: linear + min_b: 1.5 + max_b: 2.5 + min_sigma: 0.02 + max_sigma: 1.5 +denoiser: + noise_scale_ca: 1 + final_noise_scale_ca: 1 + ca_noise_schedule_type: constant + noise_scale_frame: 1 + final_noise_scale_frame: 1 + frame_noise_schedule_type: constant +ppi: + hotspot_res: null +potentials: + guiding_potentials: null + guide_scale: 10 + guide_decay: constant + olig_inter_all: null + olig_intra_all: null + olig_custom_contact: null + substrate: null +contig_settings: + ref_idx: null + hal_idx: null + idx_rf: null + inpaint_seq_tensor: null +preprocess: + sidechain_input: false + motif_sidechain_input: true + d_t1d: 22 + d_t2d: 44 + prob_self_cond: 0.0 + str_self_cond: false + predict_previous: false +logging: + inputs: false +scaffoldguided: + scaffoldguided: false + target_pdb: false + target_path: null + scaffold_list: null + scaffold_dir: null + sampled_insertion: 0 + sampled_N: 0 + sampled_C: 0 + ss_mask: 0 + systematic: false + target_ss: null + target_adj: null + mask_loops: true + contig_crop: null diff --git a/RFdiffusion/outputs/2023-09-23/13-33-45/.hydra/hydra.yaml b/RFdiffusion/outputs/2023-09-23/13-33-45/.hydra/hydra.yaml new file mode 100644 index 0000000000000000000000000000000000000000..613297587d37f8aa1ce5e56c65510b50b65f70bc --- /dev/null +++ b/RFdiffusion/outputs/2023-09-23/13-33-45/.hydra/hydra.yaml @@ -0,0 +1,159 @@ +hydra: + run: + dir: outputs/${now:%Y-%m-%d}/${now:%H-%M-%S} + sweep: + dir: multirun/${now:%Y-%m-%d}/${now:%H-%M-%S} + subdir: ${hydra.job.num} + launcher: + _target_: hydra._internal.core_plugins.basic_launcher.BasicLauncher + sweeper: + _target_: hydra._internal.core_plugins.basic_sweeper.BasicSweeper + max_batch_size: null + params: null + help: + app_name: ${hydra.job.name} + header: '${hydra.help.app_name} is powered by Hydra. + + ' + footer: 'Powered by Hydra (https://hydra.cc) + + Use --hydra-help to view Hydra specific help + + ' + template: '${hydra.help.header} + + == Configuration groups == + + Compose your configuration from those groups (group=option) + + + $APP_CONFIG_GROUPS + + + == Config == + + Override anything in the config (foo.bar=value) + + + $CONFIG + + + ${hydra.help.footer} + + ' + hydra_help: + template: 'Hydra (${hydra.runtime.version}) + + See https://hydra.cc for more info. + + + == Flags == + + $FLAGS_HELP + + + == Configuration groups == + + Compose your configuration from those groups (For example, append hydra/job_logging=disabled + to command line) + + + $HYDRA_CONFIG_GROUPS + + + Use ''--cfg hydra'' to Show the Hydra config. + + ' + hydra_help: ??? + hydra_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][HYDRA] %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + root: + level: INFO + handlers: + - console + loggers: + logging_example: + level: DEBUG + disable_existing_loggers: false + job_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][%(name)s][%(levelname)s] - %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + file: + class: logging.FileHandler + formatter: simple + filename: ${hydra.runtime.output_dir}/${hydra.job.name}.log + root: + level: INFO + handlers: + - console + - file + disable_existing_loggers: false + env: {} + mode: RUN + searchpath: [] + callbacks: {} + output_subdir: .hydra + overrides: + hydra: + - hydra.mode=RUN + task: + - inference.output_prefix=./ + - inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + - contigmap.contigs=[A1-250/0 150-150] + - inference.output_prefix=testoutputs/binder_test + - inference.num_designs=1 + job: + name: run_inference + chdir: null + override_dirname: contigmap.contigs=[A1-250/0 150-150],inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb,inference.num_designs=1,inference.output_prefix=./,inference.output_prefix=testoutputs/binder_test + id: ??? + num: ??? + config_name: base + env_set: {} + env_copy: [] + config: + override_dirname: + kv_sep: '=' + item_sep: ',' + exclude_keys: [] + runtime: + version: 1.3.2 + version_base: '1.3' + cwd: C:\Users\adminisiterlator\RFdiffusion + config_sources: + - path: hydra.conf + schema: pkg + provider: hydra + - path: C:\Users\adminisiterlator\RFdiffusion\config\inference + schema: file + provider: main + - path: '' + schema: structured + provider: schema + output_dir: C:\Users\adminisiterlator\RFdiffusion\outputs\2023-09-23\13-33-45 + choices: + hydra/env: default + hydra/callbacks: null + hydra/job_logging: default + hydra/hydra_logging: default + hydra/hydra_help: default + hydra/help: default + hydra/sweeper: basic + hydra/launcher: basic + hydra/output: default + verbose: false diff --git a/RFdiffusion/outputs/2023-09-23/13-33-45/.hydra/overrides.yaml b/RFdiffusion/outputs/2023-09-23/13-33-45/.hydra/overrides.yaml new file mode 100644 index 0000000000000000000000000000000000000000..99601a35317632500aace76a8cf657bb88ae3ea8 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-23/13-33-45/.hydra/overrides.yaml @@ -0,0 +1,5 @@ +- inference.output_prefix=./ +- inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb +- contigmap.contigs=[A1-250/0 150-150] +- inference.output_prefix=testoutputs/binder_test +- inference.num_designs=1 diff --git a/RFdiffusion/outputs/2023-09-23/13-33-45/run_inference.log b/RFdiffusion/outputs/2023-09-23/13-33-45/run_inference.log new file mode 100644 index 0000000000000000000000000000000000000000..1dd3827d2806d90e2da83c09f074d62df7ecacce --- /dev/null +++ b/RFdiffusion/outputs/2023-09-23/13-33-45/run_inference.log @@ -0,0 +1,9 @@ +[2023-09-23 13:33:45,555][__main__][INFO] - //////////////////////////////////////////////// +[2023-09-23 13:33:45,555][__main__][INFO] - ///// NO GPU DETECTED! Falling back to CPU ///// +[2023-09-23 13:33:45,556][__main__][INFO] - //////////////////////////////////////////////// +[2023-09-23 13:33:45,556][rfdiffusion.inference.model_runners][INFO] - Reading checkpoint from C:\Users\adminisiterlator\RFdiffusion\rfdiffusion\inference/../../models/Base_ckpt.pt +[2023-09-23 13:33:49,324][rfdiffusion.inference.model_runners][INFO] - Loading checkpoint. +[2023-09-23 13:33:57,013][rfdiffusion.diffusion][INFO] - Using cached IGSO3. +[2023-09-23 13:33:57,066][__main__][INFO] - Making design testoutputs/binder_test_0 +[2023-09-23 13:33:57,123][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A1-250/0 150-150'] +[2023-09-23 13:33:57,212][rfdiffusion.inference.model_runners][INFO] - Sequence init: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC diff --git a/RFdiffusion/outputs/2023-09-23/14-29-50/.hydra/config.yaml b/RFdiffusion/outputs/2023-09-23/14-29-50/.hydra/config.yaml new file mode 100644 index 0000000000000000000000000000000000000000..874651b0233297a5cf23fe7112da260a9a8b7115 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-23/14-29-50/.hydra/config.yaml @@ -0,0 +1,125 @@ +inference: + input_pdb: C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + num_designs: 1 + design_startnum: 0 + ckpt_override_path: null + symmetry: null + recenter: true + radius: 10.0 + model_only_neighbors: false + output_prefix: testoutputs/binder_test + write_trajectory: true + scaffold_guided: false + model_runner: SelfConditioning + cautious: true + align_motif: true + symmetric_self_cond: true + final_step: 1 + deterministic: false + trb_save_ckpt_path: null + schedule_directory_path: null + model_directory_path: null +contigmap: + contigs: + - A1-250/0 150-150 + inpaint_seq: null + provide_seq: null + length: null +model: + n_extra_block: 4 + n_main_block: 32 + n_ref_block: 4 + d_msa: 256 + d_msa_full: 64 + d_pair: 128 + d_templ: 64 + n_head_msa: 8 + n_head_pair: 4 + n_head_templ: 4 + d_hidden: 32 + d_hidden_templ: 32 + p_drop: 0.15 + SE3_param_full: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 8 + l0_out_features: 8 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 32 + SE3_param_topk: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 64 + l0_out_features: 64 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 64 + freeze_track_motif: false + use_motif_timestep: false +diffuser: + T: 50 + b_0: 0.01 + b_T: 0.07 + schedule_type: linear + so3_type: igso3 + crd_scale: 0.25 + partial_T: null + so3_schedule_type: linear + min_b: 1.5 + max_b: 2.5 + min_sigma: 0.02 + max_sigma: 1.5 +denoiser: + noise_scale_ca: 1 + final_noise_scale_ca: 1 + ca_noise_schedule_type: constant + noise_scale_frame: 1 + final_noise_scale_frame: 1 + frame_noise_schedule_type: constant +ppi: + hotspot_res: null +potentials: + guiding_potentials: null + guide_scale: 10 + guide_decay: constant + olig_inter_all: null + olig_intra_all: null + olig_custom_contact: null + substrate: null +contig_settings: + ref_idx: null + hal_idx: null + idx_rf: null + inpaint_seq_tensor: null +preprocess: + sidechain_input: false + motif_sidechain_input: true + d_t1d: 22 + d_t2d: 44 + prob_self_cond: 0.0 + str_self_cond: false + predict_previous: false +logging: + inputs: false +scaffoldguided: + scaffoldguided: false + target_pdb: false + target_path: null + scaffold_list: null + scaffold_dir: null + sampled_insertion: 0 + sampled_N: 0 + sampled_C: 0 + ss_mask: 0 + systematic: false + target_ss: null + target_adj: null + mask_loops: true + contig_crop: null diff --git a/RFdiffusion/outputs/2023-09-23/14-29-50/.hydra/hydra.yaml b/RFdiffusion/outputs/2023-09-23/14-29-50/.hydra/hydra.yaml new file mode 100644 index 0000000000000000000000000000000000000000..97e418554b575d63007e182c0bd913e6d24dee00 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-23/14-29-50/.hydra/hydra.yaml @@ -0,0 +1,159 @@ +hydra: + run: + dir: outputs/${now:%Y-%m-%d}/${now:%H-%M-%S} + sweep: + dir: multirun/${now:%Y-%m-%d}/${now:%H-%M-%S} + subdir: ${hydra.job.num} + launcher: + _target_: hydra._internal.core_plugins.basic_launcher.BasicLauncher + sweeper: + _target_: hydra._internal.core_plugins.basic_sweeper.BasicSweeper + max_batch_size: null + params: null + help: + app_name: ${hydra.job.name} + header: '${hydra.help.app_name} is powered by Hydra. + + ' + footer: 'Powered by Hydra (https://hydra.cc) + + Use --hydra-help to view Hydra specific help + + ' + template: '${hydra.help.header} + + == Configuration groups == + + Compose your configuration from those groups (group=option) + + + $APP_CONFIG_GROUPS + + + == Config == + + Override anything in the config (foo.bar=value) + + + $CONFIG + + + ${hydra.help.footer} + + ' + hydra_help: + template: 'Hydra (${hydra.runtime.version}) + + See https://hydra.cc for more info. + + + == Flags == + + $FLAGS_HELP + + + == Configuration groups == + + Compose your configuration from those groups (For example, append hydra/job_logging=disabled + to command line) + + + $HYDRA_CONFIG_GROUPS + + + Use ''--cfg hydra'' to Show the Hydra config. + + ' + hydra_help: ??? + hydra_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][HYDRA] %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + root: + level: INFO + handlers: + - console + loggers: + logging_example: + level: DEBUG + disable_existing_loggers: false + job_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][%(name)s][%(levelname)s] - %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + file: + class: logging.FileHandler + formatter: simple + filename: ${hydra.runtime.output_dir}/${hydra.job.name}.log + root: + level: INFO + handlers: + - console + - file + disable_existing_loggers: false + env: {} + mode: RUN + searchpath: [] + callbacks: {} + output_subdir: .hydra + overrides: + hydra: + - hydra.mode=RUN + task: + - inference.output_prefix=./ + - inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + - contigmap.contigs=[A1-250/0 150-150] + - inference.output_prefix=testoutputs/binder_test + - inference.num_designs=1 + job: + name: run_inference + chdir: null + override_dirname: contigmap.contigs=[A1-250/0 150-150],inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb,inference.num_designs=1,inference.output_prefix=./,inference.output_prefix=testoutputs/binder_test + id: ??? + num: ??? + config_name: base + env_set: {} + env_copy: [] + config: + override_dirname: + kv_sep: '=' + item_sep: ',' + exclude_keys: [] + runtime: + version: 1.3.2 + version_base: '1.3' + cwd: C:\Users\adminisiterlator\RFdiffusion + config_sources: + - path: hydra.conf + schema: pkg + provider: hydra + - path: C:\Users\adminisiterlator\RFdiffusion\config\inference + schema: file + provider: main + - path: '' + schema: structured + provider: schema + output_dir: C:\Users\adminisiterlator\RFdiffusion\outputs\2023-09-23\14-29-50 + choices: + hydra/env: default + hydra/callbacks: null + hydra/job_logging: default + hydra/hydra_logging: default + hydra/hydra_help: default + hydra/help: default + hydra/sweeper: basic + hydra/launcher: basic + hydra/output: default + verbose: false diff --git a/RFdiffusion/outputs/2023-09-23/14-29-50/.hydra/overrides.yaml b/RFdiffusion/outputs/2023-09-23/14-29-50/.hydra/overrides.yaml new file mode 100644 index 0000000000000000000000000000000000000000..99601a35317632500aace76a8cf657bb88ae3ea8 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-23/14-29-50/.hydra/overrides.yaml @@ -0,0 +1,5 @@ +- inference.output_prefix=./ +- inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb +- contigmap.contigs=[A1-250/0 150-150] +- inference.output_prefix=testoutputs/binder_test +- inference.num_designs=1 diff --git a/RFdiffusion/outputs/2023-09-23/14-29-50/run_inference.log b/RFdiffusion/outputs/2023-09-23/14-29-50/run_inference.log new file mode 100644 index 0000000000000000000000000000000000000000..b3dd5cb41b924a622710879bd6f4427980554bed --- /dev/null +++ b/RFdiffusion/outputs/2023-09-23/14-29-50/run_inference.log @@ -0,0 +1,9 @@ +[2023-09-23 14:29:50,223][__main__][INFO] - //////////////////////////////////////////////// +[2023-09-23 14:29:50,224][__main__][INFO] - ///// NO GPU DETECTED! Falling back to CPU ///// +[2023-09-23 14:29:50,225][__main__][INFO] - //////////////////////////////////////////////// +[2023-09-23 14:29:50,225][rfdiffusion.inference.model_runners][INFO] - Reading checkpoint from C:\Users\adminisiterlator\RFdiffusion\rfdiffusion\inference/../../models/Base_ckpt.pt +[2023-09-23 14:29:54,283][rfdiffusion.inference.model_runners][INFO] - Loading checkpoint. +[2023-09-23 14:30:02,836][rfdiffusion.diffusion][INFO] - Using cached IGSO3. +[2023-09-23 14:30:02,906][__main__][INFO] - Making design testoutputs/binder_test_0 +[2023-09-23 14:30:02,968][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A1-250/0 150-150'] +[2023-09-23 14:30:03,124][rfdiffusion.inference.model_runners][INFO] - Sequence init: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC diff --git a/RFdiffusion/outputs/2023-09-23/15-14-10/.hydra/config.yaml b/RFdiffusion/outputs/2023-09-23/15-14-10/.hydra/config.yaml new file mode 100644 index 0000000000000000000000000000000000000000..874651b0233297a5cf23fe7112da260a9a8b7115 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-23/15-14-10/.hydra/config.yaml @@ -0,0 +1,125 @@ +inference: + input_pdb: C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + num_designs: 1 + design_startnum: 0 + ckpt_override_path: null + symmetry: null + recenter: true + radius: 10.0 + model_only_neighbors: false + output_prefix: testoutputs/binder_test + write_trajectory: true + scaffold_guided: false + model_runner: SelfConditioning + cautious: true + align_motif: true + symmetric_self_cond: true + final_step: 1 + deterministic: false + trb_save_ckpt_path: null + schedule_directory_path: null + model_directory_path: null +contigmap: + contigs: + - A1-250/0 150-150 + inpaint_seq: null + provide_seq: null + length: null +model: + n_extra_block: 4 + n_main_block: 32 + n_ref_block: 4 + d_msa: 256 + d_msa_full: 64 + d_pair: 128 + d_templ: 64 + n_head_msa: 8 + n_head_pair: 4 + n_head_templ: 4 + d_hidden: 32 + d_hidden_templ: 32 + p_drop: 0.15 + SE3_param_full: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 8 + l0_out_features: 8 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 32 + SE3_param_topk: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 64 + l0_out_features: 64 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 64 + freeze_track_motif: false + use_motif_timestep: false +diffuser: + T: 50 + b_0: 0.01 + b_T: 0.07 + schedule_type: linear + so3_type: igso3 + crd_scale: 0.25 + partial_T: null + so3_schedule_type: linear + min_b: 1.5 + max_b: 2.5 + min_sigma: 0.02 + max_sigma: 1.5 +denoiser: + noise_scale_ca: 1 + final_noise_scale_ca: 1 + ca_noise_schedule_type: constant + noise_scale_frame: 1 + final_noise_scale_frame: 1 + frame_noise_schedule_type: constant +ppi: + hotspot_res: null +potentials: + guiding_potentials: null + guide_scale: 10 + guide_decay: constant + olig_inter_all: null + olig_intra_all: null + olig_custom_contact: null + substrate: null +contig_settings: + ref_idx: null + hal_idx: null + idx_rf: null + inpaint_seq_tensor: null +preprocess: + sidechain_input: false + motif_sidechain_input: true + d_t1d: 22 + d_t2d: 44 + prob_self_cond: 0.0 + str_self_cond: false + predict_previous: false +logging: + inputs: false +scaffoldguided: + scaffoldguided: false + target_pdb: false + target_path: null + scaffold_list: null + scaffold_dir: null + sampled_insertion: 0 + sampled_N: 0 + sampled_C: 0 + ss_mask: 0 + systematic: false + target_ss: null + target_adj: null + mask_loops: true + contig_crop: null diff --git a/RFdiffusion/outputs/2023-09-23/15-14-10/.hydra/hydra.yaml b/RFdiffusion/outputs/2023-09-23/15-14-10/.hydra/hydra.yaml new file mode 100644 index 0000000000000000000000000000000000000000..25d51a9d44384aa4bdbd74ae18d1d0686fee92e2 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-23/15-14-10/.hydra/hydra.yaml @@ -0,0 +1,159 @@ +hydra: + run: + dir: outputs/${now:%Y-%m-%d}/${now:%H-%M-%S} + sweep: + dir: multirun/${now:%Y-%m-%d}/${now:%H-%M-%S} + subdir: ${hydra.job.num} + launcher: + _target_: hydra._internal.core_plugins.basic_launcher.BasicLauncher + sweeper: + _target_: hydra._internal.core_plugins.basic_sweeper.BasicSweeper + max_batch_size: null + params: null + help: + app_name: ${hydra.job.name} + header: '${hydra.help.app_name} is powered by Hydra. + + ' + footer: 'Powered by Hydra (https://hydra.cc) + + Use --hydra-help to view Hydra specific help + + ' + template: '${hydra.help.header} + + == Configuration groups == + + Compose your configuration from those groups (group=option) + + + $APP_CONFIG_GROUPS + + + == Config == + + Override anything in the config (foo.bar=value) + + + $CONFIG + + + ${hydra.help.footer} + + ' + hydra_help: + template: 'Hydra (${hydra.runtime.version}) + + See https://hydra.cc for more info. + + + == Flags == + + $FLAGS_HELP + + + == Configuration groups == + + Compose your configuration from those groups (For example, append hydra/job_logging=disabled + to command line) + + + $HYDRA_CONFIG_GROUPS + + + Use ''--cfg hydra'' to Show the Hydra config. + + ' + hydra_help: ??? + hydra_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][HYDRA] %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + root: + level: INFO + handlers: + - console + loggers: + logging_example: + level: DEBUG + disable_existing_loggers: false + job_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][%(name)s][%(levelname)s] - %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + file: + class: logging.FileHandler + formatter: simple + filename: ${hydra.runtime.output_dir}/${hydra.job.name}.log + root: + level: INFO + handlers: + - console + - file + disable_existing_loggers: false + env: {} + mode: RUN + searchpath: [] + callbacks: {} + output_subdir: .hydra + overrides: + hydra: + - hydra.mode=RUN + task: + - inference.output_prefix=./ + - inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + - contigmap.contigs=[A1-250/0 150-150] + - inference.output_prefix=testoutputs/binder_test + - inference.num_designs=1 + job: + name: run_inference + chdir: null + override_dirname: contigmap.contigs=[A1-250/0 150-150],inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb,inference.num_designs=1,inference.output_prefix=./,inference.output_prefix=testoutputs/binder_test + id: ??? + num: ??? + config_name: base + env_set: {} + env_copy: [] + config: + override_dirname: + kv_sep: '=' + item_sep: ',' + exclude_keys: [] + runtime: + version: 1.3.2 + version_base: '1.3' + cwd: C:\Users\adminisiterlator\RFdiffusion + config_sources: + - path: hydra.conf + schema: pkg + provider: hydra + - path: C:\Users\adminisiterlator\RFdiffusion\config\inference + schema: file + provider: main + - path: '' + schema: structured + provider: schema + output_dir: C:\Users\adminisiterlator\RFdiffusion\outputs\2023-09-23\15-14-10 + choices: + hydra/env: default + hydra/callbacks: null + hydra/job_logging: default + hydra/hydra_logging: default + hydra/hydra_help: default + hydra/help: default + hydra/sweeper: basic + hydra/launcher: basic + hydra/output: default + verbose: false diff --git a/RFdiffusion/outputs/2023-09-23/15-14-10/.hydra/overrides.yaml b/RFdiffusion/outputs/2023-09-23/15-14-10/.hydra/overrides.yaml new file mode 100644 index 0000000000000000000000000000000000000000..99601a35317632500aace76a8cf657bb88ae3ea8 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-23/15-14-10/.hydra/overrides.yaml @@ -0,0 +1,5 @@ +- inference.output_prefix=./ +- inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb +- contigmap.contigs=[A1-250/0 150-150] +- inference.output_prefix=testoutputs/binder_test +- inference.num_designs=1 diff --git a/RFdiffusion/outputs/2023-09-23/15-14-10/run_inference.log b/RFdiffusion/outputs/2023-09-23/15-14-10/run_inference.log new file mode 100644 index 0000000000000000000000000000000000000000..f4ac31bf9d91d2099b0bdc3c6daec00a955ccfc4 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-23/15-14-10/run_inference.log @@ -0,0 +1,7 @@ +[2023-09-23 15:14:11,061][__main__][INFO] - Found GPU with device_name NVIDIA GeForce RTX 2060. Will run RFdiffusion on NVIDIA GeForce RTX 2060 +[2023-09-23 15:14:11,063][rfdiffusion.inference.model_runners][INFO] - Reading checkpoint from C:\Users\adminisiterlator\RFdiffusion\rfdiffusion\inference/../../models/Base_ckpt.pt +[2023-09-23 15:14:19,411][rfdiffusion.inference.model_runners][INFO] - Loading checkpoint. +[2023-09-23 15:14:30,148][rfdiffusion.diffusion][INFO] - Using cached IGSO3. +[2023-09-23 15:14:30,220][__main__][INFO] - Making design testoutputs/binder_test_0 +[2023-09-23 15:14:30,273][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A1-250/0 150-150'] +[2023-09-23 15:14:30,441][rfdiffusion.inference.model_runners][INFO] - Sequence init: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC diff --git a/RFdiffusion/outputs/2023-09-23/15-20-20/.hydra/config.yaml b/RFdiffusion/outputs/2023-09-23/15-20-20/.hydra/config.yaml new file mode 100644 index 0000000000000000000000000000000000000000..874651b0233297a5cf23fe7112da260a9a8b7115 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-23/15-20-20/.hydra/config.yaml @@ -0,0 +1,125 @@ +inference: + input_pdb: C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + num_designs: 1 + design_startnum: 0 + ckpt_override_path: null + symmetry: null + recenter: true + radius: 10.0 + model_only_neighbors: false + output_prefix: testoutputs/binder_test + write_trajectory: true + scaffold_guided: false + model_runner: SelfConditioning + cautious: true + align_motif: true + symmetric_self_cond: true + final_step: 1 + deterministic: false + trb_save_ckpt_path: null + schedule_directory_path: null + model_directory_path: null +contigmap: + contigs: + - A1-250/0 150-150 + inpaint_seq: null + provide_seq: null + length: null +model: + n_extra_block: 4 + n_main_block: 32 + n_ref_block: 4 + d_msa: 256 + d_msa_full: 64 + d_pair: 128 + d_templ: 64 + n_head_msa: 8 + n_head_pair: 4 + n_head_templ: 4 + d_hidden: 32 + d_hidden_templ: 32 + p_drop: 0.15 + SE3_param_full: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 8 + l0_out_features: 8 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 32 + SE3_param_topk: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 64 + l0_out_features: 64 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 64 + freeze_track_motif: false + use_motif_timestep: false +diffuser: + T: 50 + b_0: 0.01 + b_T: 0.07 + schedule_type: linear + so3_type: igso3 + crd_scale: 0.25 + partial_T: null + so3_schedule_type: linear + min_b: 1.5 + max_b: 2.5 + min_sigma: 0.02 + max_sigma: 1.5 +denoiser: + noise_scale_ca: 1 + final_noise_scale_ca: 1 + ca_noise_schedule_type: constant + noise_scale_frame: 1 + final_noise_scale_frame: 1 + frame_noise_schedule_type: constant +ppi: + hotspot_res: null +potentials: + guiding_potentials: null + guide_scale: 10 + guide_decay: constant + olig_inter_all: null + olig_intra_all: null + olig_custom_contact: null + substrate: null +contig_settings: + ref_idx: null + hal_idx: null + idx_rf: null + inpaint_seq_tensor: null +preprocess: + sidechain_input: false + motif_sidechain_input: true + d_t1d: 22 + d_t2d: 44 + prob_self_cond: 0.0 + str_self_cond: false + predict_previous: false +logging: + inputs: false +scaffoldguided: + scaffoldguided: false + target_pdb: false + target_path: null + scaffold_list: null + scaffold_dir: null + sampled_insertion: 0 + sampled_N: 0 + sampled_C: 0 + ss_mask: 0 + systematic: false + target_ss: null + target_adj: null + mask_loops: true + contig_crop: null diff --git a/RFdiffusion/outputs/2023-09-23/15-20-20/.hydra/hydra.yaml b/RFdiffusion/outputs/2023-09-23/15-20-20/.hydra/hydra.yaml new file mode 100644 index 0000000000000000000000000000000000000000..20b1de0045fcd6dffc202abd14ebe2cfbe3302d4 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-23/15-20-20/.hydra/hydra.yaml @@ -0,0 +1,159 @@ +hydra: + run: + dir: outputs/${now:%Y-%m-%d}/${now:%H-%M-%S} + sweep: + dir: multirun/${now:%Y-%m-%d}/${now:%H-%M-%S} + subdir: ${hydra.job.num} + launcher: + _target_: hydra._internal.core_plugins.basic_launcher.BasicLauncher + sweeper: + _target_: hydra._internal.core_plugins.basic_sweeper.BasicSweeper + max_batch_size: null + params: null + help: + app_name: ${hydra.job.name} + header: '${hydra.help.app_name} is powered by Hydra. + + ' + footer: 'Powered by Hydra (https://hydra.cc) + + Use --hydra-help to view Hydra specific help + + ' + template: '${hydra.help.header} + + == Configuration groups == + + Compose your configuration from those groups (group=option) + + + $APP_CONFIG_GROUPS + + + == Config == + + Override anything in the config (foo.bar=value) + + + $CONFIG + + + ${hydra.help.footer} + + ' + hydra_help: + template: 'Hydra (${hydra.runtime.version}) + + See https://hydra.cc for more info. + + + == Flags == + + $FLAGS_HELP + + + == Configuration groups == + + Compose your configuration from those groups (For example, append hydra/job_logging=disabled + to command line) + + + $HYDRA_CONFIG_GROUPS + + + Use ''--cfg hydra'' to Show the Hydra config. + + ' + hydra_help: ??? + hydra_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][HYDRA] %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + root: + level: INFO + handlers: + - console + loggers: + logging_example: + level: DEBUG + disable_existing_loggers: false + job_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][%(name)s][%(levelname)s] - %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + file: + class: logging.FileHandler + formatter: simple + filename: ${hydra.runtime.output_dir}/${hydra.job.name}.log + root: + level: INFO + handlers: + - console + - file + disable_existing_loggers: false + env: {} + mode: RUN + searchpath: [] + callbacks: {} + output_subdir: .hydra + overrides: + hydra: + - hydra.mode=RUN + task: + - inference.output_prefix=./ + - inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + - contigmap.contigs=[A1-250/0 150-150] + - inference.output_prefix=testoutputs/binder_test + - inference.num_designs=1 + job: + name: run_inference + chdir: null + override_dirname: contigmap.contigs=[A1-250/0 150-150],inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb,inference.num_designs=1,inference.output_prefix=./,inference.output_prefix=testoutputs/binder_test + id: ??? + num: ??? + config_name: base + env_set: {} + env_copy: [] + config: + override_dirname: + kv_sep: '=' + item_sep: ',' + exclude_keys: [] + runtime: + version: 1.3.2 + version_base: '1.3' + cwd: C:\Users\adminisiterlator\RFdiffusion + config_sources: + - path: hydra.conf + schema: pkg + provider: hydra + - path: C:\Users\adminisiterlator\RFdiffusion\config\inference + schema: file + provider: main + - path: '' + schema: structured + provider: schema + output_dir: C:\Users\adminisiterlator\RFdiffusion\outputs\2023-09-23\15-20-20 + choices: + hydra/env: default + hydra/callbacks: null + hydra/job_logging: default + hydra/hydra_logging: default + hydra/hydra_help: default + hydra/help: default + hydra/sweeper: basic + hydra/launcher: basic + hydra/output: default + verbose: false diff --git a/RFdiffusion/outputs/2023-09-23/15-20-20/.hydra/overrides.yaml b/RFdiffusion/outputs/2023-09-23/15-20-20/.hydra/overrides.yaml new file mode 100644 index 0000000000000000000000000000000000000000..99601a35317632500aace76a8cf657bb88ae3ea8 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-23/15-20-20/.hydra/overrides.yaml @@ -0,0 +1,5 @@ +- inference.output_prefix=./ +- inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb +- contigmap.contigs=[A1-250/0 150-150] +- inference.output_prefix=testoutputs/binder_test +- inference.num_designs=1 diff --git a/RFdiffusion/outputs/2023-09-23/15-20-20/run_inference.log b/RFdiffusion/outputs/2023-09-23/15-20-20/run_inference.log new file mode 100644 index 0000000000000000000000000000000000000000..9520d139839abd6b1eefe1e53540fb706a4e3bab --- /dev/null +++ b/RFdiffusion/outputs/2023-09-23/15-20-20/run_inference.log @@ -0,0 +1,7 @@ +[2023-09-23 15:20:20,305][__main__][INFO] - Found GPU with device_name NVIDIA GeForce RTX 2060. Will run RFdiffusion on NVIDIA GeForce RTX 2060 +[2023-09-23 15:20:20,306][rfdiffusion.inference.model_runners][INFO] - Reading checkpoint from C:\Users\adminisiterlator\RFdiffusion\rfdiffusion\inference/../../models/Base_ckpt.pt +[2023-09-23 15:20:29,703][rfdiffusion.inference.model_runners][INFO] - Loading checkpoint. +[2023-09-23 15:20:41,127][rfdiffusion.diffusion][INFO] - Using cached IGSO3. +[2023-09-23 15:20:41,192][__main__][INFO] - Making design testoutputs/binder_test_0 +[2023-09-23 15:20:41,251][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A1-250/0 150-150'] +[2023-09-23 15:20:41,391][rfdiffusion.inference.model_runners][INFO] - Sequence init: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC diff --git a/RFdiffusion/outputs/2023-09-23/15-22-24/.hydra/config.yaml b/RFdiffusion/outputs/2023-09-23/15-22-24/.hydra/config.yaml new file mode 100644 index 0000000000000000000000000000000000000000..874651b0233297a5cf23fe7112da260a9a8b7115 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-23/15-22-24/.hydra/config.yaml @@ -0,0 +1,125 @@ +inference: + input_pdb: C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + num_designs: 1 + design_startnum: 0 + ckpt_override_path: null + symmetry: null + recenter: true + radius: 10.0 + model_only_neighbors: false + output_prefix: testoutputs/binder_test + write_trajectory: true + scaffold_guided: false + model_runner: SelfConditioning + cautious: true + align_motif: true + symmetric_self_cond: true + final_step: 1 + deterministic: false + trb_save_ckpt_path: null + schedule_directory_path: null + model_directory_path: null +contigmap: + contigs: + - A1-250/0 150-150 + inpaint_seq: null + provide_seq: null + length: null +model: + n_extra_block: 4 + n_main_block: 32 + n_ref_block: 4 + d_msa: 256 + d_msa_full: 64 + d_pair: 128 + d_templ: 64 + n_head_msa: 8 + n_head_pair: 4 + n_head_templ: 4 + d_hidden: 32 + d_hidden_templ: 32 + p_drop: 0.15 + SE3_param_full: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 8 + l0_out_features: 8 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 32 + SE3_param_topk: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 64 + l0_out_features: 64 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 64 + freeze_track_motif: false + use_motif_timestep: false +diffuser: + T: 50 + b_0: 0.01 + b_T: 0.07 + schedule_type: linear + so3_type: igso3 + crd_scale: 0.25 + partial_T: null + so3_schedule_type: linear + min_b: 1.5 + max_b: 2.5 + min_sigma: 0.02 + max_sigma: 1.5 +denoiser: + noise_scale_ca: 1 + final_noise_scale_ca: 1 + ca_noise_schedule_type: constant + noise_scale_frame: 1 + final_noise_scale_frame: 1 + frame_noise_schedule_type: constant +ppi: + hotspot_res: null +potentials: + guiding_potentials: null + guide_scale: 10 + guide_decay: constant + olig_inter_all: null + olig_intra_all: null + olig_custom_contact: null + substrate: null +contig_settings: + ref_idx: null + hal_idx: null + idx_rf: null + inpaint_seq_tensor: null +preprocess: + sidechain_input: false + motif_sidechain_input: true + d_t1d: 22 + d_t2d: 44 + prob_self_cond: 0.0 + str_self_cond: false + predict_previous: false +logging: + inputs: false +scaffoldguided: + scaffoldguided: false + target_pdb: false + target_path: null + scaffold_list: null + scaffold_dir: null + sampled_insertion: 0 + sampled_N: 0 + sampled_C: 0 + ss_mask: 0 + systematic: false + target_ss: null + target_adj: null + mask_loops: true + contig_crop: null diff --git a/RFdiffusion/outputs/2023-09-23/15-22-24/.hydra/hydra.yaml b/RFdiffusion/outputs/2023-09-23/15-22-24/.hydra/hydra.yaml new file mode 100644 index 0000000000000000000000000000000000000000..6a512c17ddd64aec6a102b8eae324cfb0d5135a4 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-23/15-22-24/.hydra/hydra.yaml @@ -0,0 +1,159 @@ +hydra: + run: + dir: outputs/${now:%Y-%m-%d}/${now:%H-%M-%S} + sweep: + dir: multirun/${now:%Y-%m-%d}/${now:%H-%M-%S} + subdir: ${hydra.job.num} + launcher: + _target_: hydra._internal.core_plugins.basic_launcher.BasicLauncher + sweeper: + _target_: hydra._internal.core_plugins.basic_sweeper.BasicSweeper + max_batch_size: null + params: null + help: + app_name: ${hydra.job.name} + header: '${hydra.help.app_name} is powered by Hydra. + + ' + footer: 'Powered by Hydra (https://hydra.cc) + + Use --hydra-help to view Hydra specific help + + ' + template: '${hydra.help.header} + + == Configuration groups == + + Compose your configuration from those groups (group=option) + + + $APP_CONFIG_GROUPS + + + == Config == + + Override anything in the config (foo.bar=value) + + + $CONFIG + + + ${hydra.help.footer} + + ' + hydra_help: + template: 'Hydra (${hydra.runtime.version}) + + See https://hydra.cc for more info. + + + == Flags == + + $FLAGS_HELP + + + == Configuration groups == + + Compose your configuration from those groups (For example, append hydra/job_logging=disabled + to command line) + + + $HYDRA_CONFIG_GROUPS + + + Use ''--cfg hydra'' to Show the Hydra config. + + ' + hydra_help: ??? + hydra_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][HYDRA] %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + root: + level: INFO + handlers: + - console + loggers: + logging_example: + level: DEBUG + disable_existing_loggers: false + job_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][%(name)s][%(levelname)s] - %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + file: + class: logging.FileHandler + formatter: simple + filename: ${hydra.runtime.output_dir}/${hydra.job.name}.log + root: + level: INFO + handlers: + - console + - file + disable_existing_loggers: false + env: {} + mode: RUN + searchpath: [] + callbacks: {} + output_subdir: .hydra + overrides: + hydra: + - hydra.mode=RUN + task: + - inference.output_prefix=./ + - inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + - contigmap.contigs=[A1-250/0 150-150] + - inference.output_prefix=testoutputs/binder_test + - inference.num_designs=1 + job: + name: run_inference + chdir: null + override_dirname: contigmap.contigs=[A1-250/0 150-150],inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb,inference.num_designs=1,inference.output_prefix=./,inference.output_prefix=testoutputs/binder_test + id: ??? + num: ??? + config_name: base + env_set: {} + env_copy: [] + config: + override_dirname: + kv_sep: '=' + item_sep: ',' + exclude_keys: [] + runtime: + version: 1.3.2 + version_base: '1.3' + cwd: C:\Users\adminisiterlator\RFdiffusion + config_sources: + - path: hydra.conf + schema: pkg + provider: hydra + - path: C:\Users\adminisiterlator\RFdiffusion\config\inference + schema: file + provider: main + - path: '' + schema: structured + provider: schema + output_dir: C:\Users\adminisiterlator\RFdiffusion\outputs\2023-09-23\15-22-24 + choices: + hydra/env: default + hydra/callbacks: null + hydra/job_logging: default + hydra/hydra_logging: default + hydra/hydra_help: default + hydra/help: default + hydra/sweeper: basic + hydra/launcher: basic + hydra/output: default + verbose: false diff --git a/RFdiffusion/outputs/2023-09-23/15-22-24/.hydra/overrides.yaml b/RFdiffusion/outputs/2023-09-23/15-22-24/.hydra/overrides.yaml new file mode 100644 index 0000000000000000000000000000000000000000..99601a35317632500aace76a8cf657bb88ae3ea8 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-23/15-22-24/.hydra/overrides.yaml @@ -0,0 +1,5 @@ +- inference.output_prefix=./ +- inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb +- contigmap.contigs=[A1-250/0 150-150] +- inference.output_prefix=testoutputs/binder_test +- inference.num_designs=1 diff --git a/RFdiffusion/outputs/2023-09-23/15-22-24/run_inference.log b/RFdiffusion/outputs/2023-09-23/15-22-24/run_inference.log new file mode 100644 index 0000000000000000000000000000000000000000..0f7ff6a5e9d1e174092f2a281b76c86904dddc0e --- /dev/null +++ b/RFdiffusion/outputs/2023-09-23/15-22-24/run_inference.log @@ -0,0 +1,7 @@ +[2023-09-23 15:22:24,604][__main__][INFO] - Found GPU with device_name NVIDIA GeForce RTX 2060. Will run RFdiffusion on NVIDIA GeForce RTX 2060 +[2023-09-23 15:22:24,606][rfdiffusion.inference.model_runners][INFO] - Reading checkpoint from C:\Users\adminisiterlator\RFdiffusion\rfdiffusion\inference/../../models/Base_ckpt.pt +[2023-09-23 15:22:31,611][rfdiffusion.inference.model_runners][INFO] - Loading checkpoint. +[2023-09-23 15:22:41,803][rfdiffusion.diffusion][INFO] - Using cached IGSO3. +[2023-09-23 15:22:41,853][__main__][INFO] - Making design testoutputs/binder_test_0 +[2023-09-23 15:22:41,897][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A1-250/0 150-150'] +[2023-09-23 15:22:42,023][rfdiffusion.inference.model_runners][INFO] - Sequence init: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC diff --git a/RFdiffusion/outputs/2023-09-23/15-29-02/.hydra/config.yaml b/RFdiffusion/outputs/2023-09-23/15-29-02/.hydra/config.yaml new file mode 100644 index 0000000000000000000000000000000000000000..874651b0233297a5cf23fe7112da260a9a8b7115 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-23/15-29-02/.hydra/config.yaml @@ -0,0 +1,125 @@ +inference: + input_pdb: C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + num_designs: 1 + design_startnum: 0 + ckpt_override_path: null + symmetry: null + recenter: true + radius: 10.0 + model_only_neighbors: false + output_prefix: testoutputs/binder_test + write_trajectory: true + scaffold_guided: false + model_runner: SelfConditioning + cautious: true + align_motif: true + symmetric_self_cond: true + final_step: 1 + deterministic: false + trb_save_ckpt_path: null + schedule_directory_path: null + model_directory_path: null +contigmap: + contigs: + - A1-250/0 150-150 + inpaint_seq: null + provide_seq: null + length: null +model: + n_extra_block: 4 + n_main_block: 32 + n_ref_block: 4 + d_msa: 256 + d_msa_full: 64 + d_pair: 128 + d_templ: 64 + n_head_msa: 8 + n_head_pair: 4 + n_head_templ: 4 + d_hidden: 32 + d_hidden_templ: 32 + p_drop: 0.15 + SE3_param_full: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 8 + l0_out_features: 8 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 32 + SE3_param_topk: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 64 + l0_out_features: 64 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 64 + freeze_track_motif: false + use_motif_timestep: false +diffuser: + T: 50 + b_0: 0.01 + b_T: 0.07 + schedule_type: linear + so3_type: igso3 + crd_scale: 0.25 + partial_T: null + so3_schedule_type: linear + min_b: 1.5 + max_b: 2.5 + min_sigma: 0.02 + max_sigma: 1.5 +denoiser: + noise_scale_ca: 1 + final_noise_scale_ca: 1 + ca_noise_schedule_type: constant + noise_scale_frame: 1 + final_noise_scale_frame: 1 + frame_noise_schedule_type: constant +ppi: + hotspot_res: null +potentials: + guiding_potentials: null + guide_scale: 10 + guide_decay: constant + olig_inter_all: null + olig_intra_all: null + olig_custom_contact: null + substrate: null +contig_settings: + ref_idx: null + hal_idx: null + idx_rf: null + inpaint_seq_tensor: null +preprocess: + sidechain_input: false + motif_sidechain_input: true + d_t1d: 22 + d_t2d: 44 + prob_self_cond: 0.0 + str_self_cond: false + predict_previous: false +logging: + inputs: false +scaffoldguided: + scaffoldguided: false + target_pdb: false + target_path: null + scaffold_list: null + scaffold_dir: null + sampled_insertion: 0 + sampled_N: 0 + sampled_C: 0 + ss_mask: 0 + systematic: false + target_ss: null + target_adj: null + mask_loops: true + contig_crop: null diff --git a/RFdiffusion/outputs/2023-09-23/15-29-02/.hydra/hydra.yaml b/RFdiffusion/outputs/2023-09-23/15-29-02/.hydra/hydra.yaml new file mode 100644 index 0000000000000000000000000000000000000000..401067a9ca229bae45ac1ccf4cec48e70f28ff34 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-23/15-29-02/.hydra/hydra.yaml @@ -0,0 +1,159 @@ +hydra: + run: + dir: outputs/${now:%Y-%m-%d}/${now:%H-%M-%S} + sweep: + dir: multirun/${now:%Y-%m-%d}/${now:%H-%M-%S} + subdir: ${hydra.job.num} + launcher: + _target_: hydra._internal.core_plugins.basic_launcher.BasicLauncher + sweeper: + _target_: hydra._internal.core_plugins.basic_sweeper.BasicSweeper + max_batch_size: null + params: null + help: + app_name: ${hydra.job.name} + header: '${hydra.help.app_name} is powered by Hydra. + + ' + footer: 'Powered by Hydra (https://hydra.cc) + + Use --hydra-help to view Hydra specific help + + ' + template: '${hydra.help.header} + + == Configuration groups == + + Compose your configuration from those groups (group=option) + + + $APP_CONFIG_GROUPS + + + == Config == + + Override anything in the config (foo.bar=value) + + + $CONFIG + + + ${hydra.help.footer} + + ' + hydra_help: + template: 'Hydra (${hydra.runtime.version}) + + See https://hydra.cc for more info. + + + == Flags == + + $FLAGS_HELP + + + == Configuration groups == + + Compose your configuration from those groups (For example, append hydra/job_logging=disabled + to command line) + + + $HYDRA_CONFIG_GROUPS + + + Use ''--cfg hydra'' to Show the Hydra config. + + ' + hydra_help: ??? + hydra_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][HYDRA] %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + root: + level: INFO + handlers: + - console + loggers: + logging_example: + level: DEBUG + disable_existing_loggers: false + job_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][%(name)s][%(levelname)s] - %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + file: + class: logging.FileHandler + formatter: simple + filename: ${hydra.runtime.output_dir}/${hydra.job.name}.log + root: + level: INFO + handlers: + - console + - file + disable_existing_loggers: false + env: {} + mode: RUN + searchpath: [] + callbacks: {} + output_subdir: .hydra + overrides: + hydra: + - hydra.mode=RUN + task: + - inference.output_prefix=./ + - inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + - contigmap.contigs=[A1-250/0 150-150] + - inference.output_prefix=testoutputs/binder_test + - inference.num_designs=1 + job: + name: run_inference + chdir: null + override_dirname: contigmap.contigs=[A1-250/0 150-150],inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb,inference.num_designs=1,inference.output_prefix=./,inference.output_prefix=testoutputs/binder_test + id: ??? + num: ??? + config_name: base + env_set: {} + env_copy: [] + config: + override_dirname: + kv_sep: '=' + item_sep: ',' + exclude_keys: [] + runtime: + version: 1.3.2 + version_base: '1.3' + cwd: C:\Users\adminisiterlator\RFdiffusion + config_sources: + - path: hydra.conf + schema: pkg + provider: hydra + - path: C:\Users\adminisiterlator\RFdiffusion\config\inference + schema: file + provider: main + - path: '' + schema: structured + provider: schema + output_dir: C:\Users\adminisiterlator\RFdiffusion\outputs\2023-09-23\15-29-02 + choices: + hydra/env: default + hydra/callbacks: null + hydra/job_logging: default + hydra/hydra_logging: default + hydra/hydra_help: default + hydra/help: default + hydra/sweeper: basic + hydra/launcher: basic + hydra/output: default + verbose: false diff --git a/RFdiffusion/outputs/2023-09-23/15-29-02/.hydra/overrides.yaml b/RFdiffusion/outputs/2023-09-23/15-29-02/.hydra/overrides.yaml new file mode 100644 index 0000000000000000000000000000000000000000..99601a35317632500aace76a8cf657bb88ae3ea8 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-23/15-29-02/.hydra/overrides.yaml @@ -0,0 +1,5 @@ +- inference.output_prefix=./ +- inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb +- contigmap.contigs=[A1-250/0 150-150] +- inference.output_prefix=testoutputs/binder_test +- inference.num_designs=1 diff --git a/RFdiffusion/outputs/2023-09-23/15-29-02/run_inference.log b/RFdiffusion/outputs/2023-09-23/15-29-02/run_inference.log new file mode 100644 index 0000000000000000000000000000000000000000..ed3053d057111f2c40dbc850118c8705b5ecdb25 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-23/15-29-02/run_inference.log @@ -0,0 +1,7 @@ +[2023-09-23 15:29:02,459][__main__][INFO] - Found GPU with device_name NVIDIA GeForce RTX 2060. Will run RFdiffusion on NVIDIA GeForce RTX 2060 +[2023-09-23 15:29:02,460][rfdiffusion.inference.model_runners][INFO] - Reading checkpoint from C:\Users\adminisiterlator\RFdiffusion\rfdiffusion\inference/../../models/Base_ckpt.pt +[2023-09-23 15:29:08,861][rfdiffusion.inference.model_runners][INFO] - Loading checkpoint. +[2023-09-23 15:29:17,763][rfdiffusion.diffusion][INFO] - Using cached IGSO3. +[2023-09-23 15:29:17,832][__main__][INFO] - Making design testoutputs/binder_test_0 +[2023-09-23 15:29:17,880][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A1-250/0 150-150'] +[2023-09-23 15:29:17,984][rfdiffusion.inference.model_runners][INFO] - Sequence init: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC diff --git a/RFdiffusion/outputs/2023-09-23/15-37-42/.hydra/config.yaml b/RFdiffusion/outputs/2023-09-23/15-37-42/.hydra/config.yaml new file mode 100644 index 0000000000000000000000000000000000000000..874651b0233297a5cf23fe7112da260a9a8b7115 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-23/15-37-42/.hydra/config.yaml @@ -0,0 +1,125 @@ +inference: + input_pdb: C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + num_designs: 1 + design_startnum: 0 + ckpt_override_path: null + symmetry: null + recenter: true + radius: 10.0 + model_only_neighbors: false + output_prefix: testoutputs/binder_test + write_trajectory: true + scaffold_guided: false + model_runner: SelfConditioning + cautious: true + align_motif: true + symmetric_self_cond: true + final_step: 1 + deterministic: false + trb_save_ckpt_path: null + schedule_directory_path: null + model_directory_path: null +contigmap: + contigs: + - A1-250/0 150-150 + inpaint_seq: null + provide_seq: null + length: null +model: + n_extra_block: 4 + n_main_block: 32 + n_ref_block: 4 + d_msa: 256 + d_msa_full: 64 + d_pair: 128 + d_templ: 64 + n_head_msa: 8 + n_head_pair: 4 + n_head_templ: 4 + d_hidden: 32 + d_hidden_templ: 32 + p_drop: 0.15 + SE3_param_full: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 8 + l0_out_features: 8 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 32 + SE3_param_topk: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 64 + l0_out_features: 64 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 64 + freeze_track_motif: false + use_motif_timestep: false +diffuser: + T: 50 + b_0: 0.01 + b_T: 0.07 + schedule_type: linear + so3_type: igso3 + crd_scale: 0.25 + partial_T: null + so3_schedule_type: linear + min_b: 1.5 + max_b: 2.5 + min_sigma: 0.02 + max_sigma: 1.5 +denoiser: + noise_scale_ca: 1 + final_noise_scale_ca: 1 + ca_noise_schedule_type: constant + noise_scale_frame: 1 + final_noise_scale_frame: 1 + frame_noise_schedule_type: constant +ppi: + hotspot_res: null +potentials: + guiding_potentials: null + guide_scale: 10 + guide_decay: constant + olig_inter_all: null + olig_intra_all: null + olig_custom_contact: null + substrate: null +contig_settings: + ref_idx: null + hal_idx: null + idx_rf: null + inpaint_seq_tensor: null +preprocess: + sidechain_input: false + motif_sidechain_input: true + d_t1d: 22 + d_t2d: 44 + prob_self_cond: 0.0 + str_self_cond: false + predict_previous: false +logging: + inputs: false +scaffoldguided: + scaffoldguided: false + target_pdb: false + target_path: null + scaffold_list: null + scaffold_dir: null + sampled_insertion: 0 + sampled_N: 0 + sampled_C: 0 + ss_mask: 0 + systematic: false + target_ss: null + target_adj: null + mask_loops: true + contig_crop: null diff --git a/RFdiffusion/outputs/2023-09-23/15-37-42/.hydra/hydra.yaml b/RFdiffusion/outputs/2023-09-23/15-37-42/.hydra/hydra.yaml new file mode 100644 index 0000000000000000000000000000000000000000..49cdfa1f94238cebdd9df8da737f4316daecbe20 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-23/15-37-42/.hydra/hydra.yaml @@ -0,0 +1,159 @@ +hydra: + run: + dir: outputs/${now:%Y-%m-%d}/${now:%H-%M-%S} + sweep: + dir: multirun/${now:%Y-%m-%d}/${now:%H-%M-%S} + subdir: ${hydra.job.num} + launcher: + _target_: hydra._internal.core_plugins.basic_launcher.BasicLauncher + sweeper: + _target_: hydra._internal.core_plugins.basic_sweeper.BasicSweeper + max_batch_size: null + params: null + help: + app_name: ${hydra.job.name} + header: '${hydra.help.app_name} is powered by Hydra. + + ' + footer: 'Powered by Hydra (https://hydra.cc) + + Use --hydra-help to view Hydra specific help + + ' + template: '${hydra.help.header} + + == Configuration groups == + + Compose your configuration from those groups (group=option) + + + $APP_CONFIG_GROUPS + + + == Config == + + Override anything in the config (foo.bar=value) + + + $CONFIG + + + ${hydra.help.footer} + + ' + hydra_help: + template: 'Hydra (${hydra.runtime.version}) + + See https://hydra.cc for more info. + + + == Flags == + + $FLAGS_HELP + + + == Configuration groups == + + Compose your configuration from those groups (For example, append hydra/job_logging=disabled + to command line) + + + $HYDRA_CONFIG_GROUPS + + + Use ''--cfg hydra'' to Show the Hydra config. + + ' + hydra_help: ??? + hydra_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][HYDRA] %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + root: + level: INFO + handlers: + - console + loggers: + logging_example: + level: DEBUG + disable_existing_loggers: false + job_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][%(name)s][%(levelname)s] - %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + file: + class: logging.FileHandler + formatter: simple + filename: ${hydra.runtime.output_dir}/${hydra.job.name}.log + root: + level: INFO + handlers: + - console + - file + disable_existing_loggers: false + env: {} + mode: RUN + searchpath: [] + callbacks: {} + output_subdir: .hydra + overrides: + hydra: + - hydra.mode=RUN + task: + - inference.output_prefix=./ + - inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + - contigmap.contigs=[A1-250/0 150-150] + - inference.output_prefix=testoutputs/binder_test + - inference.num_designs=1 + job: + name: run_inference + chdir: null + override_dirname: contigmap.contigs=[A1-250/0 150-150],inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb,inference.num_designs=1,inference.output_prefix=./,inference.output_prefix=testoutputs/binder_test + id: ??? + num: ??? + config_name: base + env_set: {} + env_copy: [] + config: + override_dirname: + kv_sep: '=' + item_sep: ',' + exclude_keys: [] + runtime: + version: 1.3.2 + version_base: '1.3' + cwd: C:\Users\adminisiterlator\RFdiffusion + config_sources: + - path: hydra.conf + schema: pkg + provider: hydra + - path: C:\Users\adminisiterlator\RFdiffusion\config\inference + schema: file + provider: main + - path: '' + schema: structured + provider: schema + output_dir: C:\Users\adminisiterlator\RFdiffusion\outputs\2023-09-23\15-37-42 + choices: + hydra/env: default + hydra/callbacks: null + hydra/job_logging: default + hydra/hydra_logging: default + hydra/hydra_help: default + hydra/help: default + hydra/sweeper: basic + hydra/launcher: basic + hydra/output: default + verbose: false diff --git a/RFdiffusion/outputs/2023-09-23/15-37-42/.hydra/overrides.yaml b/RFdiffusion/outputs/2023-09-23/15-37-42/.hydra/overrides.yaml new file mode 100644 index 0000000000000000000000000000000000000000..99601a35317632500aace76a8cf657bb88ae3ea8 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-23/15-37-42/.hydra/overrides.yaml @@ -0,0 +1,5 @@ +- inference.output_prefix=./ +- inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb +- contigmap.contigs=[A1-250/0 150-150] +- inference.output_prefix=testoutputs/binder_test +- inference.num_designs=1 diff --git a/RFdiffusion/outputs/2023-09-23/15-37-42/run_inference.log b/RFdiffusion/outputs/2023-09-23/15-37-42/run_inference.log new file mode 100644 index 0000000000000000000000000000000000000000..eb914daf3b086e961ea9815f7fe248b9a74fb85b --- /dev/null +++ b/RFdiffusion/outputs/2023-09-23/15-37-42/run_inference.log @@ -0,0 +1,7 @@ +[2023-09-23 15:37:42,964][__main__][INFO] - Found GPU with device_name NVIDIA GeForce RTX 2060. Will run RFdiffusion on NVIDIA GeForce RTX 2060 +[2023-09-23 15:37:42,967][rfdiffusion.inference.model_runners][INFO] - Reading checkpoint from C:\Users\adminisiterlator\RFdiffusion\rfdiffusion\inference/../../models/Base_ckpt.pt +[2023-09-23 15:37:49,112][rfdiffusion.inference.model_runners][INFO] - Loading checkpoint. +[2023-09-23 15:37:58,243][rfdiffusion.diffusion][INFO] - Using cached IGSO3. +[2023-09-23 15:37:58,322][__main__][INFO] - Making design testoutputs/binder_test_0 +[2023-09-23 15:37:58,367][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A1-250/0 150-150'] +[2023-09-23 15:37:58,541][rfdiffusion.inference.model_runners][INFO] - Sequence init: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC diff --git a/RFdiffusion/outputs/2023-09-23/15-41-16/.hydra/config.yaml b/RFdiffusion/outputs/2023-09-23/15-41-16/.hydra/config.yaml new file mode 100644 index 0000000000000000000000000000000000000000..874651b0233297a5cf23fe7112da260a9a8b7115 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-23/15-41-16/.hydra/config.yaml @@ -0,0 +1,125 @@ +inference: + input_pdb: C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + num_designs: 1 + design_startnum: 0 + ckpt_override_path: null + symmetry: null + recenter: true + radius: 10.0 + model_only_neighbors: false + output_prefix: testoutputs/binder_test + write_trajectory: true + scaffold_guided: false + model_runner: SelfConditioning + cautious: true + align_motif: true + symmetric_self_cond: true + final_step: 1 + deterministic: false + trb_save_ckpt_path: null + schedule_directory_path: null + model_directory_path: null +contigmap: + contigs: + - A1-250/0 150-150 + inpaint_seq: null + provide_seq: null + length: null +model: + n_extra_block: 4 + n_main_block: 32 + n_ref_block: 4 + d_msa: 256 + d_msa_full: 64 + d_pair: 128 + d_templ: 64 + n_head_msa: 8 + n_head_pair: 4 + n_head_templ: 4 + d_hidden: 32 + d_hidden_templ: 32 + p_drop: 0.15 + SE3_param_full: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 8 + l0_out_features: 8 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 32 + SE3_param_topk: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 64 + l0_out_features: 64 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 64 + freeze_track_motif: false + use_motif_timestep: false +diffuser: + T: 50 + b_0: 0.01 + b_T: 0.07 + schedule_type: linear + so3_type: igso3 + crd_scale: 0.25 + partial_T: null + so3_schedule_type: linear + min_b: 1.5 + max_b: 2.5 + min_sigma: 0.02 + max_sigma: 1.5 +denoiser: + noise_scale_ca: 1 + final_noise_scale_ca: 1 + ca_noise_schedule_type: constant + noise_scale_frame: 1 + final_noise_scale_frame: 1 + frame_noise_schedule_type: constant +ppi: + hotspot_res: null +potentials: + guiding_potentials: null + guide_scale: 10 + guide_decay: constant + olig_inter_all: null + olig_intra_all: null + olig_custom_contact: null + substrate: null +contig_settings: + ref_idx: null + hal_idx: null + idx_rf: null + inpaint_seq_tensor: null +preprocess: + sidechain_input: false + motif_sidechain_input: true + d_t1d: 22 + d_t2d: 44 + prob_self_cond: 0.0 + str_self_cond: false + predict_previous: false +logging: + inputs: false +scaffoldguided: + scaffoldguided: false + target_pdb: false + target_path: null + scaffold_list: null + scaffold_dir: null + sampled_insertion: 0 + sampled_N: 0 + sampled_C: 0 + ss_mask: 0 + systematic: false + target_ss: null + target_adj: null + mask_loops: true + contig_crop: null diff --git a/RFdiffusion/outputs/2023-09-23/15-41-16/.hydra/hydra.yaml b/RFdiffusion/outputs/2023-09-23/15-41-16/.hydra/hydra.yaml new file mode 100644 index 0000000000000000000000000000000000000000..8868f29ecd127a5140d64397ee67e6e5e1a60bcf --- /dev/null +++ b/RFdiffusion/outputs/2023-09-23/15-41-16/.hydra/hydra.yaml @@ -0,0 +1,159 @@ +hydra: + run: + dir: outputs/${now:%Y-%m-%d}/${now:%H-%M-%S} + sweep: + dir: multirun/${now:%Y-%m-%d}/${now:%H-%M-%S} + subdir: ${hydra.job.num} + launcher: + _target_: hydra._internal.core_plugins.basic_launcher.BasicLauncher + sweeper: + _target_: hydra._internal.core_plugins.basic_sweeper.BasicSweeper + max_batch_size: null + params: null + help: + app_name: ${hydra.job.name} + header: '${hydra.help.app_name} is powered by Hydra. + + ' + footer: 'Powered by Hydra (https://hydra.cc) + + Use --hydra-help to view Hydra specific help + + ' + template: '${hydra.help.header} + + == Configuration groups == + + Compose your configuration from those groups (group=option) + + + $APP_CONFIG_GROUPS + + + == Config == + + Override anything in the config (foo.bar=value) + + + $CONFIG + + + ${hydra.help.footer} + + ' + hydra_help: + template: 'Hydra (${hydra.runtime.version}) + + See https://hydra.cc for more info. + + + == Flags == + + $FLAGS_HELP + + + == Configuration groups == + + Compose your configuration from those groups (For example, append hydra/job_logging=disabled + to command line) + + + $HYDRA_CONFIG_GROUPS + + + Use ''--cfg hydra'' to Show the Hydra config. + + ' + hydra_help: ??? + hydra_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][HYDRA] %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + root: + level: INFO + handlers: + - console + loggers: + logging_example: + level: DEBUG + disable_existing_loggers: false + job_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][%(name)s][%(levelname)s] - %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + file: + class: logging.FileHandler + formatter: simple + filename: ${hydra.runtime.output_dir}/${hydra.job.name}.log + root: + level: INFO + handlers: + - console + - file + disable_existing_loggers: false + env: {} + mode: RUN + searchpath: [] + callbacks: {} + output_subdir: .hydra + overrides: + hydra: + - hydra.mode=RUN + task: + - inference.output_prefix=./ + - inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + - contigmap.contigs=[A1-250/0 150-150] + - inference.output_prefix=testoutputs/binder_test + - inference.num_designs=1 + job: + name: run_inference + chdir: null + override_dirname: contigmap.contigs=[A1-250/0 150-150],inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb,inference.num_designs=1,inference.output_prefix=./,inference.output_prefix=testoutputs/binder_test + id: ??? + num: ??? + config_name: base + env_set: {} + env_copy: [] + config: + override_dirname: + kv_sep: '=' + item_sep: ',' + exclude_keys: [] + runtime: + version: 1.3.2 + version_base: '1.3' + cwd: C:\Users\adminisiterlator\RFdiffusion + config_sources: + - path: hydra.conf + schema: pkg + provider: hydra + - path: C:\Users\adminisiterlator\RFdiffusion\config\inference + schema: file + provider: main + - path: '' + schema: structured + provider: schema + output_dir: C:\Users\adminisiterlator\RFdiffusion\outputs\2023-09-23\15-41-16 + choices: + hydra/env: default + hydra/callbacks: null + hydra/job_logging: default + hydra/hydra_logging: default + hydra/hydra_help: default + hydra/help: default + hydra/sweeper: basic + hydra/launcher: basic + hydra/output: default + verbose: false diff --git a/RFdiffusion/outputs/2023-09-23/15-41-16/.hydra/overrides.yaml b/RFdiffusion/outputs/2023-09-23/15-41-16/.hydra/overrides.yaml new file mode 100644 index 0000000000000000000000000000000000000000..99601a35317632500aace76a8cf657bb88ae3ea8 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-23/15-41-16/.hydra/overrides.yaml @@ -0,0 +1,5 @@ +- inference.output_prefix=./ +- inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb +- contigmap.contigs=[A1-250/0 150-150] +- inference.output_prefix=testoutputs/binder_test +- inference.num_designs=1 diff --git a/RFdiffusion/outputs/2023-09-23/15-41-16/run_inference.log b/RFdiffusion/outputs/2023-09-23/15-41-16/run_inference.log new file mode 100644 index 0000000000000000000000000000000000000000..a03d92f1ccda24ba3cd63a6558ab72113cdc58af --- /dev/null +++ b/RFdiffusion/outputs/2023-09-23/15-41-16/run_inference.log @@ -0,0 +1,7 @@ +[2023-09-23 15:41:16,539][__main__][INFO] - Found GPU with device_name NVIDIA GeForce RTX 2060. Will run RFdiffusion on NVIDIA GeForce RTX 2060 +[2023-09-23 15:41:16,542][rfdiffusion.inference.model_runners][INFO] - Reading checkpoint from C:\Users\adminisiterlator\RFdiffusion\rfdiffusion\inference/../../models/Base_ckpt.pt +[2023-09-23 15:41:23,294][rfdiffusion.inference.model_runners][INFO] - Loading checkpoint. +[2023-09-23 15:41:32,430][rfdiffusion.diffusion][INFO] - Using cached IGSO3. +[2023-09-23 15:41:32,478][__main__][INFO] - Making design testoutputs/binder_test_0 +[2023-09-23 15:41:32,512][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A1-250/0 150-150'] +[2023-09-23 15:41:32,670][rfdiffusion.inference.model_runners][INFO] - Sequence init: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC diff --git a/RFdiffusion/outputs/2023-09-23/16-18-02/.hydra/config.yaml b/RFdiffusion/outputs/2023-09-23/16-18-02/.hydra/config.yaml new file mode 100644 index 0000000000000000000000000000000000000000..874651b0233297a5cf23fe7112da260a9a8b7115 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-23/16-18-02/.hydra/config.yaml @@ -0,0 +1,125 @@ +inference: + input_pdb: C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + num_designs: 1 + design_startnum: 0 + ckpt_override_path: null + symmetry: null + recenter: true + radius: 10.0 + model_only_neighbors: false + output_prefix: testoutputs/binder_test + write_trajectory: true + scaffold_guided: false + model_runner: SelfConditioning + cautious: true + align_motif: true + symmetric_self_cond: true + final_step: 1 + deterministic: false + trb_save_ckpt_path: null + schedule_directory_path: null + model_directory_path: null +contigmap: + contigs: + - A1-250/0 150-150 + inpaint_seq: null + provide_seq: null + length: null +model: + n_extra_block: 4 + n_main_block: 32 + n_ref_block: 4 + d_msa: 256 + d_msa_full: 64 + d_pair: 128 + d_templ: 64 + n_head_msa: 8 + n_head_pair: 4 + n_head_templ: 4 + d_hidden: 32 + d_hidden_templ: 32 + p_drop: 0.15 + SE3_param_full: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 8 + l0_out_features: 8 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 32 + SE3_param_topk: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 64 + l0_out_features: 64 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 64 + freeze_track_motif: false + use_motif_timestep: false +diffuser: + T: 50 + b_0: 0.01 + b_T: 0.07 + schedule_type: linear + so3_type: igso3 + crd_scale: 0.25 + partial_T: null + so3_schedule_type: linear + min_b: 1.5 + max_b: 2.5 + min_sigma: 0.02 + max_sigma: 1.5 +denoiser: + noise_scale_ca: 1 + final_noise_scale_ca: 1 + ca_noise_schedule_type: constant + noise_scale_frame: 1 + final_noise_scale_frame: 1 + frame_noise_schedule_type: constant +ppi: + hotspot_res: null +potentials: + guiding_potentials: null + guide_scale: 10 + guide_decay: constant + olig_inter_all: null + olig_intra_all: null + olig_custom_contact: null + substrate: null +contig_settings: + ref_idx: null + hal_idx: null + idx_rf: null + inpaint_seq_tensor: null +preprocess: + sidechain_input: false + motif_sidechain_input: true + d_t1d: 22 + d_t2d: 44 + prob_self_cond: 0.0 + str_self_cond: false + predict_previous: false +logging: + inputs: false +scaffoldguided: + scaffoldguided: false + target_pdb: false + target_path: null + scaffold_list: null + scaffold_dir: null + sampled_insertion: 0 + sampled_N: 0 + sampled_C: 0 + ss_mask: 0 + systematic: false + target_ss: null + target_adj: null + mask_loops: true + contig_crop: null diff --git a/RFdiffusion/outputs/2023-09-23/16-18-02/.hydra/hydra.yaml b/RFdiffusion/outputs/2023-09-23/16-18-02/.hydra/hydra.yaml new file mode 100644 index 0000000000000000000000000000000000000000..d44fe0b6efddcdba845f448ae80640e170b5bcff --- /dev/null +++ b/RFdiffusion/outputs/2023-09-23/16-18-02/.hydra/hydra.yaml @@ -0,0 +1,159 @@ +hydra: + run: + dir: outputs/${now:%Y-%m-%d}/${now:%H-%M-%S} + sweep: + dir: multirun/${now:%Y-%m-%d}/${now:%H-%M-%S} + subdir: ${hydra.job.num} + launcher: + _target_: hydra._internal.core_plugins.basic_launcher.BasicLauncher + sweeper: + _target_: hydra._internal.core_plugins.basic_sweeper.BasicSweeper + max_batch_size: null + params: null + help: + app_name: ${hydra.job.name} + header: '${hydra.help.app_name} is powered by Hydra. + + ' + footer: 'Powered by Hydra (https://hydra.cc) + + Use --hydra-help to view Hydra specific help + + ' + template: '${hydra.help.header} + + == Configuration groups == + + Compose your configuration from those groups (group=option) + + + $APP_CONFIG_GROUPS + + + == Config == + + Override anything in the config (foo.bar=value) + + + $CONFIG + + + ${hydra.help.footer} + + ' + hydra_help: + template: 'Hydra (${hydra.runtime.version}) + + See https://hydra.cc for more info. + + + == Flags == + + $FLAGS_HELP + + + == Configuration groups == + + Compose your configuration from those groups (For example, append hydra/job_logging=disabled + to command line) + + + $HYDRA_CONFIG_GROUPS + + + Use ''--cfg hydra'' to Show the Hydra config. + + ' + hydra_help: ??? + hydra_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][HYDRA] %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + root: + level: INFO + handlers: + - console + loggers: + logging_example: + level: DEBUG + disable_existing_loggers: false + job_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][%(name)s][%(levelname)s] - %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + file: + class: logging.FileHandler + formatter: simple + filename: ${hydra.runtime.output_dir}/${hydra.job.name}.log + root: + level: INFO + handlers: + - console + - file + disable_existing_loggers: false + env: {} + mode: RUN + searchpath: [] + callbacks: {} + output_subdir: .hydra + overrides: + hydra: + - hydra.mode=RUN + task: + - inference.output_prefix=./ + - inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + - contigmap.contigs=[A1-250/0 150-150] + - inference.output_prefix=testoutputs/binder_test + - inference.num_designs=1 + job: + name: run_inference + chdir: null + override_dirname: contigmap.contigs=[A1-250/0 150-150],inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb,inference.num_designs=1,inference.output_prefix=./,inference.output_prefix=testoutputs/binder_test + id: ??? + num: ??? + config_name: base + env_set: {} + env_copy: [] + config: + override_dirname: + kv_sep: '=' + item_sep: ',' + exclude_keys: [] + runtime: + version: 1.3.2 + version_base: '1.3' + cwd: C:\Users\adminisiterlator\RFdiffusion + config_sources: + - path: hydra.conf + schema: pkg + provider: hydra + - path: C:\Users\adminisiterlator\RFdiffusion\config\inference + schema: file + provider: main + - path: '' + schema: structured + provider: schema + output_dir: C:\Users\adminisiterlator\RFdiffusion\outputs\2023-09-23\16-18-02 + choices: + hydra/env: default + hydra/callbacks: null + hydra/job_logging: default + hydra/hydra_logging: default + hydra/hydra_help: default + hydra/help: default + hydra/sweeper: basic + hydra/launcher: basic + hydra/output: default + verbose: false diff --git a/RFdiffusion/outputs/2023-09-23/16-18-02/.hydra/overrides.yaml b/RFdiffusion/outputs/2023-09-23/16-18-02/.hydra/overrides.yaml new file mode 100644 index 0000000000000000000000000000000000000000..99601a35317632500aace76a8cf657bb88ae3ea8 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-23/16-18-02/.hydra/overrides.yaml @@ -0,0 +1,5 @@ +- inference.output_prefix=./ +- inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb +- contigmap.contigs=[A1-250/0 150-150] +- inference.output_prefix=testoutputs/binder_test +- inference.num_designs=1 diff --git a/RFdiffusion/outputs/2023-09-23/16-18-02/run_inference.log b/RFdiffusion/outputs/2023-09-23/16-18-02/run_inference.log new file mode 100644 index 0000000000000000000000000000000000000000..f57f6b7b3343d1efdf1a1629e60272a4f1625070 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-23/16-18-02/run_inference.log @@ -0,0 +1,106 @@ +[2023-09-23 16:18:02,629][__main__][INFO] - Found GPU with device_name NVIDIA GeForce RTX 2060. Will run RFdiffusion on NVIDIA GeForce RTX 2060 +[2023-09-23 16:18:02,631][rfdiffusion.inference.model_runners][INFO] - Reading checkpoint from C:\Users\adminisiterlator\RFdiffusion\rfdiffusion\inference/../../models/Base_ckpt.pt +[2023-09-23 16:18:09,253][rfdiffusion.inference.model_runners][INFO] - Loading checkpoint. +[2023-09-23 16:18:18,230][rfdiffusion.diffusion][INFO] - Using cached IGSO3. +[2023-09-23 16:18:18,279][__main__][INFO] - Making design testoutputs/binder_test_0 +[2023-09-23 16:18:18,322][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A1-250/0 150-150'] +[2023-09-23 16:18:18,478][rfdiffusion.inference.model_runners][INFO] - Sequence init: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:18:33,914][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.79 +[2023-09-23 16:18:33,937][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:18:44,248][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.57 +[2023-09-23 16:18:44,258][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:18:54,349][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.59 +[2023-09-23 16:18:54,357][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:19:03,798][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.55 +[2023-09-23 16:19:03,809][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:19:15,098][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.53 +[2023-09-23 16:19:15,117][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:19:28,081][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.54 +[2023-09-23 16:19:28,148][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:19:41,207][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.54 +[2023-09-23 16:19:41,218][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:19:54,337][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.54 +[2023-09-23 16:19:54,349][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:20:07,887][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.54 +[2023-09-23 16:20:07,898][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:20:21,500][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.53 +[2023-09-23 16:20:21,512][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:20:35,249][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.56 +[2023-09-23 16:20:35,261][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:20:48,788][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.53 +[2023-09-23 16:20:48,801][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:21:02,351][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.50 +[2023-09-23 16:21:02,368][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:21:16,531][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.53 +[2023-09-23 16:21:16,545][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:21:30,036][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.52 +[2023-09-23 16:21:30,046][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:21:43,625][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.54 +[2023-09-23 16:21:43,641][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:21:57,541][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.54 +[2023-09-23 16:21:57,558][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:22:10,859][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.53 +[2023-09-23 16:22:10,873][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:22:24,099][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.53 +[2023-09-23 16:22:24,120][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:22:37,304][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.55 +[2023-09-23 16:22:37,313][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:22:50,568][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.60 +[2023-09-23 16:22:50,585][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:23:03,903][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.57 +[2023-09-23 16:23:03,917][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:23:17,100][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.58 +[2023-09-23 16:23:17,113][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:23:30,281][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.59 +[2023-09-23 16:23:30,291][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:23:43,384][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.55 +[2023-09-23 16:23:43,398][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:23:56,523][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.55 +[2023-09-23 16:23:56,535][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:24:09,779][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.54 +[2023-09-23 16:24:09,789][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:24:23,006][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.56 +[2023-09-23 16:24:23,020][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:24:36,259][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.54 +[2023-09-23 16:24:36,270][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:24:49,501][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.51 +[2023-09-23 16:24:49,518][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:25:02,826][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.50 +[2023-09-23 16:25:02,838][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:25:16,143][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.48 +[2023-09-23 16:25:16,151][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:25:29,499][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.49 +[2023-09-23 16:25:29,513][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:25:42,747][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.50 +[2023-09-23 16:25:42,760][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:25:56,014][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.52 +[2023-09-23 16:25:56,027][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:26:09,318][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.55 +[2023-09-23 16:26:09,331][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:26:22,569][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.59 +[2023-09-23 16:26:22,581][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:26:35,873][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.61 +[2023-09-23 16:26:35,884][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:26:49,295][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.66 +[2023-09-23 16:26:49,466][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:27:02,321][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.72 +[2023-09-23 16:27:02,340][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:27:14,014][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.73 +[2023-09-23 16:27:14,026][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:27:25,398][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.74 +[2023-09-23 16:27:25,410][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:27:36,972][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.69 +[2023-09-23 16:27:36,985][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:27:48,874][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.69 +[2023-09-23 16:27:48,888][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:28:00,365][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.75 +[2023-09-23 16:28:00,379][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:28:11,944][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.81 +[2023-09-23 16:28:11,955][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:28:23,255][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.85 +[2023-09-23 16:28:23,277][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:28:34,608][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.85 +[2023-09-23 16:28:34,621][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:28:45,940][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.88 +[2023-09-23 16:28:45,954][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:29:18,719][__main__][INFO] - Finished design in 11.01 minutes diff --git a/RFdiffusion/outputs/2023-09-23/16-33-04/.hydra/config.yaml b/RFdiffusion/outputs/2023-09-23/16-33-04/.hydra/config.yaml new file mode 100644 index 0000000000000000000000000000000000000000..952d7a4e0b106398c7ce6cdb191d9d3d9f8af9b7 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-23/16-33-04/.hydra/config.yaml @@ -0,0 +1,125 @@ +inference: + input_pdb: C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + num_designs: 5 + design_startnum: 0 + ckpt_override_path: null + symmetry: null + recenter: true + radius: 10.0 + model_only_neighbors: false + output_prefix: testoutputs/binder_test + write_trajectory: true + scaffold_guided: false + model_runner: SelfConditioning + cautious: true + align_motif: true + symmetric_self_cond: true + final_step: 1 + deterministic: false + trb_save_ckpt_path: null + schedule_directory_path: null + model_directory_path: null +contigmap: + contigs: + - A1-250/0 150-150 + inpaint_seq: null + provide_seq: null + length: null +model: + n_extra_block: 4 + n_main_block: 32 + n_ref_block: 4 + d_msa: 256 + d_msa_full: 64 + d_pair: 128 + d_templ: 64 + n_head_msa: 8 + n_head_pair: 4 + n_head_templ: 4 + d_hidden: 32 + d_hidden_templ: 32 + p_drop: 0.15 + SE3_param_full: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 8 + l0_out_features: 8 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 32 + SE3_param_topk: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 64 + l0_out_features: 64 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 64 + freeze_track_motif: false + use_motif_timestep: false +diffuser: + T: 50 + b_0: 0.01 + b_T: 0.07 + schedule_type: linear + so3_type: igso3 + crd_scale: 0.25 + partial_T: null + so3_schedule_type: linear + min_b: 1.5 + max_b: 2.5 + min_sigma: 0.02 + max_sigma: 1.5 +denoiser: + noise_scale_ca: 1 + final_noise_scale_ca: 1 + ca_noise_schedule_type: constant + noise_scale_frame: 1 + final_noise_scale_frame: 1 + frame_noise_schedule_type: constant +ppi: + hotspot_res: null +potentials: + guiding_potentials: null + guide_scale: 10 + guide_decay: constant + olig_inter_all: null + olig_intra_all: null + olig_custom_contact: null + substrate: null +contig_settings: + ref_idx: null + hal_idx: null + idx_rf: null + inpaint_seq_tensor: null +preprocess: + sidechain_input: false + motif_sidechain_input: true + d_t1d: 22 + d_t2d: 44 + prob_self_cond: 0.0 + str_self_cond: false + predict_previous: false +logging: + inputs: false +scaffoldguided: + scaffoldguided: false + target_pdb: false + target_path: null + scaffold_list: null + scaffold_dir: null + sampled_insertion: 0 + sampled_N: 0 + sampled_C: 0 + ss_mask: 0 + systematic: false + target_ss: null + target_adj: null + mask_loops: true + contig_crop: null diff --git a/RFdiffusion/outputs/2023-09-23/16-33-04/.hydra/hydra.yaml b/RFdiffusion/outputs/2023-09-23/16-33-04/.hydra/hydra.yaml new file mode 100644 index 0000000000000000000000000000000000000000..7c58155b9887155d1fd10f41458254b68ad41bb1 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-23/16-33-04/.hydra/hydra.yaml @@ -0,0 +1,159 @@ +hydra: + run: + dir: outputs/${now:%Y-%m-%d}/${now:%H-%M-%S} + sweep: + dir: multirun/${now:%Y-%m-%d}/${now:%H-%M-%S} + subdir: ${hydra.job.num} + launcher: + _target_: hydra._internal.core_plugins.basic_launcher.BasicLauncher + sweeper: + _target_: hydra._internal.core_plugins.basic_sweeper.BasicSweeper + max_batch_size: null + params: null + help: + app_name: ${hydra.job.name} + header: '${hydra.help.app_name} is powered by Hydra. + + ' + footer: 'Powered by Hydra (https://hydra.cc) + + Use --hydra-help to view Hydra specific help + + ' + template: '${hydra.help.header} + + == Configuration groups == + + Compose your configuration from those groups (group=option) + + + $APP_CONFIG_GROUPS + + + == Config == + + Override anything in the config (foo.bar=value) + + + $CONFIG + + + ${hydra.help.footer} + + ' + hydra_help: + template: 'Hydra (${hydra.runtime.version}) + + See https://hydra.cc for more info. + + + == Flags == + + $FLAGS_HELP + + + == Configuration groups == + + Compose your configuration from those groups (For example, append hydra/job_logging=disabled + to command line) + + + $HYDRA_CONFIG_GROUPS + + + Use ''--cfg hydra'' to Show the Hydra config. + + ' + hydra_help: ??? + hydra_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][HYDRA] %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + root: + level: INFO + handlers: + - console + loggers: + logging_example: + level: DEBUG + disable_existing_loggers: false + job_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][%(name)s][%(levelname)s] - %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + file: + class: logging.FileHandler + formatter: simple + filename: ${hydra.runtime.output_dir}/${hydra.job.name}.log + root: + level: INFO + handlers: + - console + - file + disable_existing_loggers: false + env: {} + mode: RUN + searchpath: [] + callbacks: {} + output_subdir: .hydra + overrides: + hydra: + - hydra.mode=RUN + task: + - inference.output_prefix=./ + - inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + - contigmap.contigs=[A1-250/0 150-150] + - inference.output_prefix=testoutputs/binder_test + - inference.num_designs=5 + job: + name: run_inference + chdir: null + override_dirname: contigmap.contigs=[A1-250/0 150-150],inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb,inference.num_designs=5,inference.output_prefix=./,inference.output_prefix=testoutputs/binder_test + id: ??? + num: ??? + config_name: base + env_set: {} + env_copy: [] + config: + override_dirname: + kv_sep: '=' + item_sep: ',' + exclude_keys: [] + runtime: + version: 1.3.2 + version_base: '1.3' + cwd: C:\Users\adminisiterlator\RFdiffusion + config_sources: + - path: hydra.conf + schema: pkg + provider: hydra + - path: C:\Users\adminisiterlator\RFdiffusion\config\inference + schema: file + provider: main + - path: '' + schema: structured + provider: schema + output_dir: C:\Users\adminisiterlator\RFdiffusion\outputs\2023-09-23\16-33-04 + choices: + hydra/env: default + hydra/callbacks: null + hydra/job_logging: default + hydra/hydra_logging: default + hydra/hydra_help: default + hydra/help: default + hydra/sweeper: basic + hydra/launcher: basic + hydra/output: default + verbose: false diff --git a/RFdiffusion/outputs/2023-09-23/16-33-04/.hydra/overrides.yaml b/RFdiffusion/outputs/2023-09-23/16-33-04/.hydra/overrides.yaml new file mode 100644 index 0000000000000000000000000000000000000000..0e2f13e0dc3a10cc7a4c48e82c96725722f8e92c --- /dev/null +++ b/RFdiffusion/outputs/2023-09-23/16-33-04/.hydra/overrides.yaml @@ -0,0 +1,5 @@ +- inference.output_prefix=./ +- inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb +- contigmap.contigs=[A1-250/0 150-150] +- inference.output_prefix=testoutputs/binder_test +- inference.num_designs=5 diff --git a/RFdiffusion/outputs/2023-09-23/16-33-04/run_inference.log b/RFdiffusion/outputs/2023-09-23/16-33-04/run_inference.log new file mode 100644 index 0000000000000000000000000000000000000000..5cdb977c89fa9de8f93d3708cf44eab93fe6f429 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-23/16-33-04/run_inference.log @@ -0,0 +1,414 @@ +[2023-09-23 16:33:04,499][__main__][INFO] - Found GPU with device_name NVIDIA GeForce RTX 2060. Will run RFdiffusion on NVIDIA GeForce RTX 2060 +[2023-09-23 16:33:04,500][rfdiffusion.inference.model_runners][INFO] - Reading checkpoint from C:\Users\adminisiterlator\RFdiffusion\rfdiffusion\inference/../../models/Base_ckpt.pt +[2023-09-23 16:33:10,969][rfdiffusion.inference.model_runners][INFO] - Loading checkpoint. +[2023-09-23 16:33:20,631][rfdiffusion.diffusion][INFO] - Using cached IGSO3. +[2023-09-23 16:33:20,695][__main__][INFO] - Making design testoutputs/binder_test_0 +[2023-09-23 16:33:20,696][__main__][INFO] - (cautious mode) Skipping this design because testoutputs/binder_test_0.pdb already exists. +[2023-09-23 16:33:20,696][__main__][INFO] - Making design testoutputs/binder_test_1 +[2023-09-23 16:33:20,755][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A1-250/0 150-150'] +[2023-09-23 16:33:20,873][rfdiffusion.inference.model_runners][INFO] - Sequence init: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:33:37,835][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.80 +[2023-09-23 16:33:37,847][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:33:45,708][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.58 +[2023-09-23 16:33:45,716][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:33:53,892][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.58 +[2023-09-23 16:33:53,900][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:34:02,934][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.57 +[2023-09-23 16:34:02,943][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:34:12,328][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.57 +[2023-09-23 16:34:12,339][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:34:22,249][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.58 +[2023-09-23 16:34:22,262][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:34:33,129][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.59 +[2023-09-23 16:34:33,140][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:34:43,484][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.57 +[2023-09-23 16:34:43,493][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:34:54,331][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.57 +[2023-09-23 16:34:54,340][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:35:05,138][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.58 +[2023-09-23 16:35:05,156][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:35:15,835][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.57 +[2023-09-23 16:35:15,843][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:35:26,530][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.55 +[2023-09-23 16:35:26,539][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:35:37,189][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.53 +[2023-09-23 16:35:37,199][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:35:47,880][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.52 +[2023-09-23 16:35:47,890][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:35:58,501][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.53 +[2023-09-23 16:35:58,510][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:36:09,038][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.54 +[2023-09-23 16:36:09,046][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:36:19,541][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.58 +[2023-09-23 16:36:19,554][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:36:30,138][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.57 +[2023-09-23 16:36:30,150][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:36:40,739][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.53 +[2023-09-23 16:36:40,748][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:36:51,286][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.54 +[2023-09-23 16:36:51,298][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:37:02,320][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.56 +[2023-09-23 16:37:02,330][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:37:13,270][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.55 +[2023-09-23 16:37:13,282][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:37:24,221][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.59 +[2023-09-23 16:37:24,233][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:37:35,160][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.61 +[2023-09-23 16:37:35,172][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:37:46,128][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.60 +[2023-09-23 16:37:46,142][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:37:57,075][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.63 +[2023-09-23 16:37:57,086][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:38:08,540][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.66 +[2023-09-23 16:38:08,554][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:38:19,865][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.67 +[2023-09-23 16:38:19,874][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:38:30,806][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.70 +[2023-09-23 16:38:30,815][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:38:41,738][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.73 +[2023-09-23 16:38:41,749][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:38:52,684][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.71 +[2023-09-23 16:38:52,695][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:39:03,952][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.73 +[2023-09-23 16:39:03,964][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:39:15,289][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.69 +[2023-09-23 16:39:15,298][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:39:26,531][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.66 +[2023-09-23 16:39:26,542][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:39:37,782][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.65 +[2023-09-23 16:39:37,797][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:39:49,131][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.68 +[2023-09-23 16:39:49,140][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:40:00,406][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.69 +[2023-09-23 16:40:00,428][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:40:11,747][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.71 +[2023-09-23 16:40:11,757][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:40:22,984][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.70 +[2023-09-23 16:40:22,994][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:40:34,235][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.70 +[2023-09-23 16:40:34,246][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:40:45,528][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.63 +[2023-09-23 16:40:45,540][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:40:56,812][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.61 +[2023-09-23 16:40:56,825][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:41:08,070][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.61 +[2023-09-23 16:41:08,082][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:41:19,350][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.66 +[2023-09-23 16:41:19,362][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:41:30,599][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.67 +[2023-09-23 16:41:30,611][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:41:41,900][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.70 +[2023-09-23 16:41:41,912][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:41:53,504][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.76 +[2023-09-23 16:41:53,516][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:42:04,847][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.75 +[2023-09-23 16:42:04,858][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:42:16,137][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.77 +[2023-09-23 16:42:16,150][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:42:48,084][__main__][INFO] - Finished design in 9.46 minutes +[2023-09-23 16:42:48,085][__main__][INFO] - Making design testoutputs/binder_test_2 +[2023-09-23 16:42:48,144][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A1-250/0 150-150'] +[2023-09-23 16:42:48,260][rfdiffusion.inference.model_runners][INFO] - Sequence init: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:42:58,899][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.82 +[2023-09-23 16:42:58,908][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:43:09,544][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.59 +[2023-09-23 16:43:09,555][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:43:20,128][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.59 +[2023-09-23 16:43:20,136][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:43:30,697][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.60 +[2023-09-23 16:43:30,709][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:43:41,278][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.58 +[2023-09-23 16:43:41,289][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:43:51,886][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.57 +[2023-09-23 16:43:51,898][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:44:02,495][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.56 +[2023-09-23 16:44:02,505][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:44:13,476][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.55 +[2023-09-23 16:44:13,489][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:44:25,004][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.53 +[2023-09-23 16:44:25,016][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:44:36,682][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.52 +[2023-09-23 16:44:36,695][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:44:48,991][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.53 +[2023-09-23 16:44:49,009][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:45:00,649][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.55 +[2023-09-23 16:45:00,663][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:45:11,984][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.54 +[2023-09-23 16:45:11,996][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:45:23,329][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.55 +[2023-09-23 16:45:23,341][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:45:34,664][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.58 +[2023-09-23 16:45:34,676][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:45:46,218][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.56 +[2023-09-23 16:45:46,230][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:45:57,560][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.55 +[2023-09-23 16:45:57,572][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:46:08,862][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.52 +[2023-09-23 16:46:08,874][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:46:20,151][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.50 +[2023-09-23 16:46:20,162][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:46:31,484][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.47 +[2023-09-23 16:46:31,494][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:46:42,967][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.46 +[2023-09-23 16:46:42,977][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:46:53,638][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.43 +[2023-09-23 16:46:53,650][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:47:04,295][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.44 +[2023-09-23 16:47:04,307][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:47:14,908][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.45 +[2023-09-23 16:47:14,918][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:47:25,548][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.46 +[2023-09-23 16:47:25,558][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:47:36,479][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.43 +[2023-09-23 16:47:36,491][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:47:47,367][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.41 +[2023-09-23 16:47:47,376][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:47:58,179][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.41 +[2023-09-23 16:47:58,193][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:48:09,136][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.39 +[2023-09-23 16:48:09,146][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:48:20,148][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.40 +[2023-09-23 16:48:20,160][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:48:31,100][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.40 +[2023-09-23 16:48:31,111][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:48:41,722][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.42 +[2023-09-23 16:48:41,733][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:48:52,533][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.43 +[2023-09-23 16:48:52,548][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:49:04,006][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.43 +[2023-09-23 16:49:04,016][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:49:15,613][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.44 +[2023-09-23 16:49:15,624][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:49:26,661][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.47 +[2023-09-23 16:49:26,671][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:49:37,847][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.51 +[2023-09-23 16:49:37,859][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:49:48,653][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.53 +[2023-09-23 16:49:48,663][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:49:59,923][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.57 +[2023-09-23 16:49:59,933][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:50:11,647][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.62 +[2023-09-23 16:50:11,657][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:50:23,104][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.65 +[2023-09-23 16:50:23,117][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:50:35,003][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.68 +[2023-09-23 16:50:35,016][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:50:46,465][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.69 +[2023-09-23 16:50:46,474][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:50:57,285][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.75 +[2023-09-23 16:50:57,296][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:51:08,110][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.82 +[2023-09-23 16:51:08,120][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:51:19,674][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.86 +[2023-09-23 16:51:19,688][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:51:30,810][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.84 +[2023-09-23 16:51:30,823][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:51:41,923][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.66 +[2023-09-23 16:51:41,935][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:51:53,212][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.61 +[2023-09-23 16:51:53,220][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:52:25,551][__main__][INFO] - Finished design in 9.62 minutes +[2023-09-23 16:52:25,551][__main__][INFO] - Making design testoutputs/binder_test_3 +[2023-09-23 16:52:25,605][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A1-250/0 150-150'] +[2023-09-23 16:52:25,725][rfdiffusion.inference.model_runners][INFO] - Sequence init: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:52:36,272][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.76 +[2023-09-23 16:52:36,280][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:52:46,787][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.56 +[2023-09-23 16:52:46,795][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:52:57,368][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.55 +[2023-09-23 16:52:57,377][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:53:07,952][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.58 +[2023-09-23 16:53:07,962][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:53:18,532][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.55 +[2023-09-23 16:53:18,542][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:53:29,125][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.57 +[2023-09-23 16:53:29,140][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:53:39,708][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.56 +[2023-09-23 16:53:39,716][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:53:50,288][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.56 +[2023-09-23 16:53:50,297][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:54:00,873][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.55 +[2023-09-23 16:54:00,884][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:54:11,495][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.55 +[2023-09-23 16:54:11,506][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:54:22,103][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.55 +[2023-09-23 16:54:22,112][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:54:32,716][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.55 +[2023-09-23 16:54:32,728][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:54:43,318][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.53 +[2023-09-23 16:54:43,330][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:54:53,935][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.54 +[2023-09-23 16:54:53,948][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:55:04,589][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.55 +[2023-09-23 16:55:04,601][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:55:15,223][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.55 +[2023-09-23 16:55:15,235][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:55:25,854][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.53 +[2023-09-23 16:55:25,866][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:55:36,476][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.51 +[2023-09-23 16:55:36,487][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:55:47,073][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.48 +[2023-09-23 16:55:47,085][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:55:57,733][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.53 +[2023-09-23 16:55:57,743][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:56:08,334][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.54 +[2023-09-23 16:56:08,346][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:56:19,000][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.54 +[2023-09-23 16:56:19,014][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:56:29,639][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.50 +[2023-09-23 16:56:29,654][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:56:40,268][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.45 +[2023-09-23 16:56:40,282][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:56:50,934][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.45 +[2023-09-23 16:56:50,945][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:57:01,564][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.45 +[2023-09-23 16:57:01,577][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:57:12,201][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.43 +[2023-09-23 16:57:12,214][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:57:22,853][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.41 +[2023-09-23 16:57:22,863][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:57:33,517][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.41 +[2023-09-23 16:57:33,528][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:57:44,143][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.41 +[2023-09-23 16:57:44,155][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:57:54,830][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.42 +[2023-09-23 16:57:54,843][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:58:05,493][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.43 +[2023-09-23 16:58:05,505][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:58:16,150][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.43 +[2023-09-23 16:58:16,162][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:58:26,930][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.41 +[2023-09-23 16:58:26,952][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:58:37,600][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.42 +[2023-09-23 16:58:37,612][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:58:48,217][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.43 +[2023-09-23 16:58:48,231][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:58:59,292][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.44 +[2023-09-23 16:58:59,305][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:59:09,944][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.46 +[2023-09-23 16:59:09,957][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:59:20,934][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.48 +[2023-09-23 16:59:20,944][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:59:31,569][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.54 +[2023-09-23 16:59:31,582][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:59:42,466][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.60 +[2023-09-23 16:59:42,475][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 16:59:53,442][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.63 +[2023-09-23 16:59:53,455][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 17:00:04,105][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.67 +[2023-09-23 17:00:04,117][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 17:00:14,730][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.73 +[2023-09-23 17:00:14,743][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 17:00:25,395][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.76 +[2023-09-23 17:00:25,407][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 17:00:36,484][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.82 +[2023-09-23 17:00:36,496][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 17:00:47,142][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.82 +[2023-09-23 17:00:47,154][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 17:00:58,058][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.83 +[2023-09-23 17:00:58,069][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 17:01:08,695][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.86 +[2023-09-23 17:01:08,709][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 17:01:40,763][__main__][INFO] - Finished design in 9.25 minutes +[2023-09-23 17:01:40,764][__main__][INFO] - Making design testoutputs/binder_test_4 +[2023-09-23 17:01:40,844][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A1-250/0 150-150'] +[2023-09-23 17:01:40,972][rfdiffusion.inference.model_runners][INFO] - Sequence init: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 17:01:51,584][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.79 +[2023-09-23 17:01:51,596][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 17:02:02,160][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.57 +[2023-09-23 17:02:02,171][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 17:02:12,711][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.56 +[2023-09-23 17:02:12,721][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 17:02:23,302][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.58 +[2023-09-23 17:02:23,313][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 17:02:33,850][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.56 +[2023-09-23 17:02:33,862][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 17:02:44,455][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.55 +[2023-09-23 17:02:44,465][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 17:02:55,041][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.54 +[2023-09-23 17:02:55,052][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 17:03:05,661][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.52 +[2023-09-23 17:03:05,672][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 17:03:16,256][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.53 +[2023-09-23 17:03:16,267][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 17:03:26,868][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.54 +[2023-09-23 17:03:26,879][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 17:03:37,506][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.53 +[2023-09-23 17:03:37,517][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 17:03:48,404][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.50 +[2023-09-23 17:03:48,537][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 17:03:59,638][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.53 +[2023-09-23 17:03:59,648][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 17:04:10,245][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.55 +[2023-09-23 17:04:10,258][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 17:04:20,889][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.56 +[2023-09-23 17:04:20,900][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 17:04:31,745][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.56 +[2023-09-23 17:04:31,758][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 17:04:42,507][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.52 +[2023-09-23 17:04:42,517][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 17:04:53,683][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.55 +[2023-09-23 17:04:53,698][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 17:05:04,345][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.53 +[2023-09-23 17:05:04,354][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 17:05:14,967][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.49 +[2023-09-23 17:05:14,980][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 17:05:25,619][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.50 +[2023-09-23 17:05:25,632][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 17:05:36,282][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.48 +[2023-09-23 17:05:36,294][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 17:05:46,921][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.49 +[2023-09-23 17:05:46,932][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 17:05:57,532][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.48 +[2023-09-23 17:05:57,545][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 17:06:08,161][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.49 +[2023-09-23 17:06:08,173][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 17:06:18,808][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.53 +[2023-09-23 17:06:18,821][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 17:06:29,416][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.50 +[2023-09-23 17:06:29,429][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 17:06:40,615][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.49 +[2023-09-23 17:06:40,623][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 17:06:51,212][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.50 +[2023-09-23 17:06:51,225][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 17:07:02,073][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.50 +[2023-09-23 17:07:02,085][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 17:07:12,677][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.48 +[2023-09-23 17:07:12,689][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 17:07:23,897][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.45 +[2023-09-23 17:07:23,914][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 17:07:34,521][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.43 +[2023-09-23 17:07:34,533][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 17:07:45,111][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.42 +[2023-09-23 17:07:45,121][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 17:07:55,709][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.42 +[2023-09-23 17:07:55,722][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 17:08:07,299][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.44 +[2023-09-23 17:08:07,309][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 17:08:18,123][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.47 +[2023-09-23 17:08:18,135][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 17:08:28,919][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.50 +[2023-09-23 17:08:28,930][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 17:08:39,825][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.53 +[2023-09-23 17:08:39,841][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 17:08:50,459][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.52 +[2023-09-23 17:08:50,468][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 17:09:01,099][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.50 +[2023-09-23 17:09:01,111][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 17:09:11,709][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.48 +[2023-09-23 17:09:11,719][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 17:09:22,338][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.50 +[2023-09-23 17:09:22,347][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 17:09:33,015][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.54 +[2023-09-23 17:09:33,026][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 17:09:43,606][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.60 +[2023-09-23 17:09:43,617][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 17:09:54,188][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.67 +[2023-09-23 17:09:54,199][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 17:10:04,825][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.76 +[2023-09-23 17:10:04,843][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 17:10:15,955][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.83 +[2023-09-23 17:10:15,966][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 17:10:26,570][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.85 +[2023-09-23 17:10:26,588][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPC +[2023-09-23 17:10:58,632][__main__][INFO] - Finished design in 9.30 minutes diff --git a/RFdiffusion/outputs/2023-09-23/18-45-47/.hydra/config.yaml b/RFdiffusion/outputs/2023-09-23/18-45-47/.hydra/config.yaml new file mode 100644 index 0000000000000000000000000000000000000000..2bf32de9490ce969d64dd6490d65fdb460931bfd --- /dev/null +++ b/RFdiffusion/outputs/2023-09-23/18-45-47/.hydra/config.yaml @@ -0,0 +1,125 @@ +inference: + input_pdb: C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + num_designs: 1 + design_startnum: 0 + ckpt_override_path: null + symmetry: null + recenter: true + radius: 10.0 + model_only_neighbors: false + output_prefix: testoutputs/binder_test + write_trajectory: true + scaffold_guided: false + model_runner: SelfConditioning + cautious: true + align_motif: true + symmetric_self_cond: true + final_step: 1 + deterministic: false + trb_save_ckpt_path: null + schedule_directory_path: null + model_directory_path: null +contigmap: + contigs: + - A1-270/0 20-150 + inpaint_seq: null + provide_seq: null + length: null +model: + n_extra_block: 4 + n_main_block: 32 + n_ref_block: 4 + d_msa: 256 + d_msa_full: 64 + d_pair: 128 + d_templ: 64 + n_head_msa: 8 + n_head_pair: 4 + n_head_templ: 4 + d_hidden: 32 + d_hidden_templ: 32 + p_drop: 0.15 + SE3_param_full: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 8 + l0_out_features: 8 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 32 + SE3_param_topk: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 64 + l0_out_features: 64 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 64 + freeze_track_motif: false + use_motif_timestep: false +diffuser: + T: 50 + b_0: 0.01 + b_T: 0.07 + schedule_type: linear + so3_type: igso3 + crd_scale: 0.25 + partial_T: null + so3_schedule_type: linear + min_b: 1.5 + max_b: 2.5 + min_sigma: 0.02 + max_sigma: 1.5 +denoiser: + noise_scale_ca: 1 + final_noise_scale_ca: 1 + ca_noise_schedule_type: constant + noise_scale_frame: 1 + final_noise_scale_frame: 1 + frame_noise_schedule_type: constant +ppi: + hotspot_res: null +potentials: + guiding_potentials: null + guide_scale: 10 + guide_decay: constant + olig_inter_all: null + olig_intra_all: null + olig_custom_contact: null + substrate: null +contig_settings: + ref_idx: null + hal_idx: null + idx_rf: null + inpaint_seq_tensor: null +preprocess: + sidechain_input: false + motif_sidechain_input: true + d_t1d: 22 + d_t2d: 44 + prob_self_cond: 0.0 + str_self_cond: false + predict_previous: false +logging: + inputs: false +scaffoldguided: + scaffoldguided: false + target_pdb: false + target_path: null + scaffold_list: null + scaffold_dir: null + sampled_insertion: 0 + sampled_N: 0 + sampled_C: 0 + ss_mask: 0 + systematic: false + target_ss: null + target_adj: null + mask_loops: true + contig_crop: null diff --git a/RFdiffusion/outputs/2023-09-23/18-45-47/.hydra/hydra.yaml b/RFdiffusion/outputs/2023-09-23/18-45-47/.hydra/hydra.yaml new file mode 100644 index 0000000000000000000000000000000000000000..b8bbd2d5bc181fa8d3c47b143d894b07b97d1a97 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-23/18-45-47/.hydra/hydra.yaml @@ -0,0 +1,159 @@ +hydra: + run: + dir: outputs/${now:%Y-%m-%d}/${now:%H-%M-%S} + sweep: + dir: multirun/${now:%Y-%m-%d}/${now:%H-%M-%S} + subdir: ${hydra.job.num} + launcher: + _target_: hydra._internal.core_plugins.basic_launcher.BasicLauncher + sweeper: + _target_: hydra._internal.core_plugins.basic_sweeper.BasicSweeper + max_batch_size: null + params: null + help: + app_name: ${hydra.job.name} + header: '${hydra.help.app_name} is powered by Hydra. + + ' + footer: 'Powered by Hydra (https://hydra.cc) + + Use --hydra-help to view Hydra specific help + + ' + template: '${hydra.help.header} + + == Configuration groups == + + Compose your configuration from those groups (group=option) + + + $APP_CONFIG_GROUPS + + + == Config == + + Override anything in the config (foo.bar=value) + + + $CONFIG + + + ${hydra.help.footer} + + ' + hydra_help: + template: 'Hydra (${hydra.runtime.version}) + + See https://hydra.cc for more info. + + + == Flags == + + $FLAGS_HELP + + + == Configuration groups == + + Compose your configuration from those groups (For example, append hydra/job_logging=disabled + to command line) + + + $HYDRA_CONFIG_GROUPS + + + Use ''--cfg hydra'' to Show the Hydra config. + + ' + hydra_help: ??? + hydra_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][HYDRA] %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + root: + level: INFO + handlers: + - console + loggers: + logging_example: + level: DEBUG + disable_existing_loggers: false + job_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][%(name)s][%(levelname)s] - %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + file: + class: logging.FileHandler + formatter: simple + filename: ${hydra.runtime.output_dir}/${hydra.job.name}.log + root: + level: INFO + handlers: + - console + - file + disable_existing_loggers: false + env: {} + mode: RUN + searchpath: [] + callbacks: {} + output_subdir: .hydra + overrides: + hydra: + - hydra.mode=RUN + task: + - inference.output_prefix=./ + - inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + - contigmap.contigs=[A1-270/0 20-150] + - inference.output_prefix=testoutputs/binder_test + - inference.num_designs=1 + job: + name: run_inference + chdir: null + override_dirname: contigmap.contigs=[A1-270/0 20-150],inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb,inference.num_designs=1,inference.output_prefix=./,inference.output_prefix=testoutputs/binder_test + id: ??? + num: ??? + config_name: base + env_set: {} + env_copy: [] + config: + override_dirname: + kv_sep: '=' + item_sep: ',' + exclude_keys: [] + runtime: + version: 1.3.2 + version_base: '1.3' + cwd: C:\Users\adminisiterlator\RFdiffusion + config_sources: + - path: hydra.conf + schema: pkg + provider: hydra + - path: C:\Users\adminisiterlator\RFdiffusion\config\inference + schema: file + provider: main + - path: '' + schema: structured + provider: schema + output_dir: C:\Users\adminisiterlator\RFdiffusion\outputs\2023-09-23\18-45-47 + choices: + hydra/env: default + hydra/callbacks: null + hydra/job_logging: default + hydra/hydra_logging: default + hydra/hydra_help: default + hydra/help: default + hydra/sweeper: basic + hydra/launcher: basic + hydra/output: default + verbose: false diff --git a/RFdiffusion/outputs/2023-09-23/18-45-47/.hydra/overrides.yaml b/RFdiffusion/outputs/2023-09-23/18-45-47/.hydra/overrides.yaml new file mode 100644 index 0000000000000000000000000000000000000000..f3df90fdf47fde7233c7bec108fed7da3dbb2f8a --- /dev/null +++ b/RFdiffusion/outputs/2023-09-23/18-45-47/.hydra/overrides.yaml @@ -0,0 +1,5 @@ +- inference.output_prefix=./ +- inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb +- contigmap.contigs=[A1-270/0 20-150] +- inference.output_prefix=testoutputs/binder_test +- inference.num_designs=1 diff --git a/RFdiffusion/outputs/2023-09-23/18-45-47/run_inference.log b/RFdiffusion/outputs/2023-09-23/18-45-47/run_inference.log new file mode 100644 index 0000000000000000000000000000000000000000..5961824c839b968cb8282a49bca100f5b658b868 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-23/18-45-47/run_inference.log @@ -0,0 +1,6 @@ +[2023-09-23 18:45:47,865][__main__][INFO] - Found GPU with device_name NVIDIA GeForce RTX 2060. Will run RFdiffusion on NVIDIA GeForce RTX 2060 +[2023-09-23 18:45:47,866][rfdiffusion.inference.model_runners][INFO] - Reading checkpoint from C:\Users\adminisiterlator\RFdiffusion\rfdiffusion\inference/../../models/Base_ckpt.pt +[2023-09-23 18:45:53,653][rfdiffusion.inference.model_runners][INFO] - Loading checkpoint. +[2023-09-23 18:46:01,583][rfdiffusion.diffusion][INFO] - Using cached IGSO3. +[2023-09-23 18:46:01,627][__main__][INFO] - Making design testoutputs/binder_test_0 +[2023-09-23 18:46:01,628][__main__][INFO] - (cautious mode) Skipping this design because testoutputs/binder_test_0.pdb already exists. diff --git a/RFdiffusion/outputs/2023-09-23/18-47-10/.hydra/config.yaml b/RFdiffusion/outputs/2023-09-23/18-47-10/.hydra/config.yaml new file mode 100644 index 0000000000000000000000000000000000000000..2bf32de9490ce969d64dd6490d65fdb460931bfd --- /dev/null +++ b/RFdiffusion/outputs/2023-09-23/18-47-10/.hydra/config.yaml @@ -0,0 +1,125 @@ +inference: + input_pdb: C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + num_designs: 1 + design_startnum: 0 + ckpt_override_path: null + symmetry: null + recenter: true + radius: 10.0 + model_only_neighbors: false + output_prefix: testoutputs/binder_test + write_trajectory: true + scaffold_guided: false + model_runner: SelfConditioning + cautious: true + align_motif: true + symmetric_self_cond: true + final_step: 1 + deterministic: false + trb_save_ckpt_path: null + schedule_directory_path: null + model_directory_path: null +contigmap: + contigs: + - A1-270/0 20-150 + inpaint_seq: null + provide_seq: null + length: null +model: + n_extra_block: 4 + n_main_block: 32 + n_ref_block: 4 + d_msa: 256 + d_msa_full: 64 + d_pair: 128 + d_templ: 64 + n_head_msa: 8 + n_head_pair: 4 + n_head_templ: 4 + d_hidden: 32 + d_hidden_templ: 32 + p_drop: 0.15 + SE3_param_full: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 8 + l0_out_features: 8 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 32 + SE3_param_topk: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 64 + l0_out_features: 64 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 64 + freeze_track_motif: false + use_motif_timestep: false +diffuser: + T: 50 + b_0: 0.01 + b_T: 0.07 + schedule_type: linear + so3_type: igso3 + crd_scale: 0.25 + partial_T: null + so3_schedule_type: linear + min_b: 1.5 + max_b: 2.5 + min_sigma: 0.02 + max_sigma: 1.5 +denoiser: + noise_scale_ca: 1 + final_noise_scale_ca: 1 + ca_noise_schedule_type: constant + noise_scale_frame: 1 + final_noise_scale_frame: 1 + frame_noise_schedule_type: constant +ppi: + hotspot_res: null +potentials: + guiding_potentials: null + guide_scale: 10 + guide_decay: constant + olig_inter_all: null + olig_intra_all: null + olig_custom_contact: null + substrate: null +contig_settings: + ref_idx: null + hal_idx: null + idx_rf: null + inpaint_seq_tensor: null +preprocess: + sidechain_input: false + motif_sidechain_input: true + d_t1d: 22 + d_t2d: 44 + prob_self_cond: 0.0 + str_self_cond: false + predict_previous: false +logging: + inputs: false +scaffoldguided: + scaffoldguided: false + target_pdb: false + target_path: null + scaffold_list: null + scaffold_dir: null + sampled_insertion: 0 + sampled_N: 0 + sampled_C: 0 + ss_mask: 0 + systematic: false + target_ss: null + target_adj: null + mask_loops: true + contig_crop: null diff --git a/RFdiffusion/outputs/2023-09-23/18-47-10/.hydra/hydra.yaml b/RFdiffusion/outputs/2023-09-23/18-47-10/.hydra/hydra.yaml new file mode 100644 index 0000000000000000000000000000000000000000..b9adf237d54f646f3e56fa3809543dcf0d11dffa --- /dev/null +++ b/RFdiffusion/outputs/2023-09-23/18-47-10/.hydra/hydra.yaml @@ -0,0 +1,159 @@ +hydra: + run: + dir: outputs/${now:%Y-%m-%d}/${now:%H-%M-%S} + sweep: + dir: multirun/${now:%Y-%m-%d}/${now:%H-%M-%S} + subdir: ${hydra.job.num} + launcher: + _target_: hydra._internal.core_plugins.basic_launcher.BasicLauncher + sweeper: + _target_: hydra._internal.core_plugins.basic_sweeper.BasicSweeper + max_batch_size: null + params: null + help: + app_name: ${hydra.job.name} + header: '${hydra.help.app_name} is powered by Hydra. + + ' + footer: 'Powered by Hydra (https://hydra.cc) + + Use --hydra-help to view Hydra specific help + + ' + template: '${hydra.help.header} + + == Configuration groups == + + Compose your configuration from those groups (group=option) + + + $APP_CONFIG_GROUPS + + + == Config == + + Override anything in the config (foo.bar=value) + + + $CONFIG + + + ${hydra.help.footer} + + ' + hydra_help: + template: 'Hydra (${hydra.runtime.version}) + + See https://hydra.cc for more info. + + + == Flags == + + $FLAGS_HELP + + + == Configuration groups == + + Compose your configuration from those groups (For example, append hydra/job_logging=disabled + to command line) + + + $HYDRA_CONFIG_GROUPS + + + Use ''--cfg hydra'' to Show the Hydra config. + + ' + hydra_help: ??? + hydra_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][HYDRA] %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + root: + level: INFO + handlers: + - console + loggers: + logging_example: + level: DEBUG + disable_existing_loggers: false + job_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][%(name)s][%(levelname)s] - %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + file: + class: logging.FileHandler + formatter: simple + filename: ${hydra.runtime.output_dir}/${hydra.job.name}.log + root: + level: INFO + handlers: + - console + - file + disable_existing_loggers: false + env: {} + mode: RUN + searchpath: [] + callbacks: {} + output_subdir: .hydra + overrides: + hydra: + - hydra.mode=RUN + task: + - inference.output_prefix=./ + - inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + - contigmap.contigs=[A1-270/0 20-150] + - inference.output_prefix=testoutputs/binder_test + - inference.num_designs=1 + job: + name: run_inference + chdir: null + override_dirname: contigmap.contigs=[A1-270/0 20-150],inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb,inference.num_designs=1,inference.output_prefix=./,inference.output_prefix=testoutputs/binder_test + id: ??? + num: ??? + config_name: base + env_set: {} + env_copy: [] + config: + override_dirname: + kv_sep: '=' + item_sep: ',' + exclude_keys: [] + runtime: + version: 1.3.2 + version_base: '1.3' + cwd: C:\Users\adminisiterlator\RFdiffusion + config_sources: + - path: hydra.conf + schema: pkg + provider: hydra + - path: C:\Users\adminisiterlator\RFdiffusion\config\inference + schema: file + provider: main + - path: '' + schema: structured + provider: schema + output_dir: C:\Users\adminisiterlator\RFdiffusion\outputs\2023-09-23\18-47-10 + choices: + hydra/env: default + hydra/callbacks: null + hydra/job_logging: default + hydra/hydra_logging: default + hydra/hydra_help: default + hydra/help: default + hydra/sweeper: basic + hydra/launcher: basic + hydra/output: default + verbose: false diff --git a/RFdiffusion/outputs/2023-09-23/18-47-10/.hydra/overrides.yaml b/RFdiffusion/outputs/2023-09-23/18-47-10/.hydra/overrides.yaml new file mode 100644 index 0000000000000000000000000000000000000000..f3df90fdf47fde7233c7bec108fed7da3dbb2f8a --- /dev/null +++ b/RFdiffusion/outputs/2023-09-23/18-47-10/.hydra/overrides.yaml @@ -0,0 +1,5 @@ +- inference.output_prefix=./ +- inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb +- contigmap.contigs=[A1-270/0 20-150] +- inference.output_prefix=testoutputs/binder_test +- inference.num_designs=1 diff --git a/RFdiffusion/outputs/2023-09-23/18-47-10/run_inference.log b/RFdiffusion/outputs/2023-09-23/18-47-10/run_inference.log new file mode 100644 index 0000000000000000000000000000000000000000..0ce60aec054c07deb44a4e9d2832b0fb982e11f7 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-23/18-47-10/run_inference.log @@ -0,0 +1,106 @@ +[2023-09-23 18:47:10,146][__main__][INFO] - Found GPU with device_name NVIDIA GeForce RTX 2060. Will run RFdiffusion on NVIDIA GeForce RTX 2060 +[2023-09-23 18:47:10,148][rfdiffusion.inference.model_runners][INFO] - Reading checkpoint from C:\Users\adminisiterlator\RFdiffusion\rfdiffusion\inference/../../models/Base_ckpt.pt +[2023-09-23 18:47:15,639][rfdiffusion.inference.model_runners][INFO] - Loading checkpoint. +[2023-09-23 18:47:22,691][rfdiffusion.diffusion][INFO] - Using cached IGSO3. +[2023-09-23 18:47:22,737][__main__][INFO] - Making design testoutputs/binder_test_0 +[2023-09-23 18:47:22,772][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A1-270/0 20-150'] +[2023-09-23 18:47:22,903][rfdiffusion.inference.model_runners][INFO] - Sequence init: ---------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQE +[2023-09-23 18:47:36,629][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.56 +[2023-09-23 18:47:36,647][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ---------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQE +[2023-09-23 18:47:42,397][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.43 +[2023-09-23 18:47:42,403][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ---------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQE +[2023-09-23 18:47:48,160][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.42 +[2023-09-23 18:47:48,168][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ---------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQE +[2023-09-23 18:47:53,888][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.42 +[2023-09-23 18:47:53,897][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ---------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQE +[2023-09-23 18:47:59,660][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.42 +[2023-09-23 18:47:59,667][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ---------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQE +[2023-09-23 18:48:05,424][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.42 +[2023-09-23 18:48:05,431][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ---------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQE +[2023-09-23 18:48:11,235][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.41 +[2023-09-23 18:48:11,243][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ---------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQE +[2023-09-23 18:48:17,388][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.40 +[2023-09-23 18:48:17,397][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ---------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQE +[2023-09-23 18:48:23,800][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.41 +[2023-09-23 18:48:23,810][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ---------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQE +[2023-09-23 18:48:30,365][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.38 +[2023-09-23 18:48:30,375][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ---------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQE +[2023-09-23 18:48:37,397][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.39 +[2023-09-23 18:48:37,406][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ---------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQE +[2023-09-23 18:48:44,547][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.39 +[2023-09-23 18:48:44,554][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ---------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQE +[2023-09-23 18:48:51,511][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.39 +[2023-09-23 18:48:51,520][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ---------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQE +[2023-09-23 18:48:58,722][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.38 +[2023-09-23 18:48:58,732][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ---------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQE +[2023-09-23 18:49:06,639][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.38 +[2023-09-23 18:49:06,649][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ---------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQE +[2023-09-23 18:49:14,067][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.38 +[2023-09-23 18:49:14,075][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ---------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQE +[2023-09-23 18:49:21,705][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.38 +[2023-09-23 18:49:21,711][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ---------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQE +[2023-09-23 18:49:29,414][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.37 +[2023-09-23 18:49:29,422][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ---------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQE +[2023-09-23 18:49:37,050][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.37 +[2023-09-23 18:49:37,061][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ---------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQE +[2023-09-23 18:49:45,220][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.37 +[2023-09-23 18:49:45,226][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ---------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQE +[2023-09-23 18:49:53,092][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.37 +[2023-09-23 18:49:53,102][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ---------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQE +[2023-09-23 18:50:01,023][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.36 +[2023-09-23 18:50:01,031][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ---------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQE +[2023-09-23 18:50:09,698][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.34 +[2023-09-23 18:50:09,706][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ---------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQE +[2023-09-23 18:50:18,714][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.34 +[2023-09-23 18:50:18,723][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ---------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQE +[2023-09-23 18:50:26,742][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.36 +[2023-09-23 18:50:26,751][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ---------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQE +[2023-09-23 18:50:34,790][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.35 +[2023-09-23 18:50:34,797][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ---------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQE +[2023-09-23 18:50:43,532][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.35 +[2023-09-23 18:50:43,541][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ---------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQE +[2023-09-23 18:50:52,067][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.35 +[2023-09-23 18:50:52,078][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ---------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQE +[2023-09-23 18:51:00,654][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.36 +[2023-09-23 18:51:00,663][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ---------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQE +[2023-09-23 18:51:09,177][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.35 +[2023-09-23 18:51:09,189][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ---------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQE +[2023-09-23 18:51:17,676][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.38 +[2023-09-23 18:51:17,685][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ---------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQE +[2023-09-23 18:51:26,110][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.37 +[2023-09-23 18:51:26,119][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ---------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQE +[2023-09-23 18:51:34,580][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.38 +[2023-09-23 18:51:34,589][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ---------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQE +[2023-09-23 18:51:43,060][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.38 +[2023-09-23 18:51:43,068][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ---------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQE +[2023-09-23 18:51:51,978][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.37 +[2023-09-23 18:51:51,989][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ---------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQE +[2023-09-23 18:52:00,884][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.38 +[2023-09-23 18:52:00,893][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ---------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQE +[2023-09-23 18:52:09,804][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.38 +[2023-09-23 18:52:09,811][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ---------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQE +[2023-09-23 18:52:18,748][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.39 +[2023-09-23 18:52:18,758][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ---------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQE +[2023-09-23 18:52:27,294][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.39 +[2023-09-23 18:52:27,304][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ---------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQE +[2023-09-23 18:52:36,348][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.39 +[2023-09-23 18:52:36,360][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ---------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQE +[2023-09-23 18:52:44,782][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.38 +[2023-09-23 18:52:44,791][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ---------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQE +[2023-09-23 18:52:53,816][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.36 +[2023-09-23 18:52:53,824][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ---------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQE +[2023-09-23 18:53:02,859][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.36 +[2023-09-23 18:53:02,868][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ---------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQE +[2023-09-23 18:53:11,302][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.37 +[2023-09-23 18:53:11,310][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ---------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQE +[2023-09-23 18:53:20,051][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.37 +[2023-09-23 18:53:20,061][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ---------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQE +[2023-09-23 18:53:29,053][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.41 +[2023-09-23 18:53:29,062][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ---------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQE +[2023-09-23 18:53:38,094][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.42 +[2023-09-23 18:53:38,101][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ---------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQE +[2023-09-23 18:53:47,089][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.45 +[2023-09-23 18:53:47,099][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ---------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQE +[2023-09-23 18:53:56,120][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.44 +[2023-09-23 18:53:56,130][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ---------------------------------------------------MQPRRQRLPAPWSGPRGPRPTAPLLALLLLLAPVAAPAGSGDPDDPGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQE +[2023-09-23 18:54:20,374][__main__][INFO] - Finished design in 6.96 minutes diff --git a/RFdiffusion/outputs/2023-09-23/19-10-37/.hydra/config.yaml b/RFdiffusion/outputs/2023-09-23/19-10-37/.hydra/config.yaml new file mode 100644 index 0000000000000000000000000000000000000000..33cfed6375e77293e1615ecb4b38ac54e46c75db --- /dev/null +++ b/RFdiffusion/outputs/2023-09-23/19-10-37/.hydra/config.yaml @@ -0,0 +1,125 @@ +inference: + input_pdb: C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + num_designs: 1 + design_startnum: 0 + ckpt_override_path: null + symmetry: null + recenter: true + radius: 10.0 + model_only_neighbors: false + output_prefix: testoutputs/binder_test + write_trajectory: true + scaffold_guided: false + model_runner: SelfConditioning + cautious: true + align_motif: true + symmetric_self_cond: true + final_step: 1 + deterministic: false + trb_save_ckpt_path: null + schedule_directory_path: null + model_directory_path: null +contigmap: + contigs: + - A46-291/0 150-150 + inpaint_seq: null + provide_seq: null + length: null +model: + n_extra_block: 4 + n_main_block: 32 + n_ref_block: 4 + d_msa: 256 + d_msa_full: 64 + d_pair: 128 + d_templ: 64 + n_head_msa: 8 + n_head_pair: 4 + n_head_templ: 4 + d_hidden: 32 + d_hidden_templ: 32 + p_drop: 0.15 + SE3_param_full: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 8 + l0_out_features: 8 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 32 + SE3_param_topk: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 64 + l0_out_features: 64 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 64 + freeze_track_motif: false + use_motif_timestep: false +diffuser: + T: 50 + b_0: 0.01 + b_T: 0.07 + schedule_type: linear + so3_type: igso3 + crd_scale: 0.25 + partial_T: null + so3_schedule_type: linear + min_b: 1.5 + max_b: 2.5 + min_sigma: 0.02 + max_sigma: 1.5 +denoiser: + noise_scale_ca: 1 + final_noise_scale_ca: 1 + ca_noise_schedule_type: constant + noise_scale_frame: 1 + final_noise_scale_frame: 1 + frame_noise_schedule_type: constant +ppi: + hotspot_res: null +potentials: + guiding_potentials: null + guide_scale: 10 + guide_decay: constant + olig_inter_all: null + olig_intra_all: null + olig_custom_contact: null + substrate: null +contig_settings: + ref_idx: null + hal_idx: null + idx_rf: null + inpaint_seq_tensor: null +preprocess: + sidechain_input: false + motif_sidechain_input: true + d_t1d: 22 + d_t2d: 44 + prob_self_cond: 0.0 + str_self_cond: false + predict_previous: false +logging: + inputs: false +scaffoldguided: + scaffoldguided: false + target_pdb: false + target_path: null + scaffold_list: null + scaffold_dir: null + sampled_insertion: 0 + sampled_N: 0 + sampled_C: 0 + ss_mask: 0 + systematic: false + target_ss: null + target_adj: null + mask_loops: true + contig_crop: null diff --git a/RFdiffusion/outputs/2023-09-23/19-10-37/.hydra/hydra.yaml b/RFdiffusion/outputs/2023-09-23/19-10-37/.hydra/hydra.yaml new file mode 100644 index 0000000000000000000000000000000000000000..18654156da6ba83512eab7d2c829793aaf0d5c17 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-23/19-10-37/.hydra/hydra.yaml @@ -0,0 +1,159 @@ +hydra: + run: + dir: outputs/${now:%Y-%m-%d}/${now:%H-%M-%S} + sweep: + dir: multirun/${now:%Y-%m-%d}/${now:%H-%M-%S} + subdir: ${hydra.job.num} + launcher: + _target_: hydra._internal.core_plugins.basic_launcher.BasicLauncher + sweeper: + _target_: hydra._internal.core_plugins.basic_sweeper.BasicSweeper + max_batch_size: null + params: null + help: + app_name: ${hydra.job.name} + header: '${hydra.help.app_name} is powered by Hydra. + + ' + footer: 'Powered by Hydra (https://hydra.cc) + + Use --hydra-help to view Hydra specific help + + ' + template: '${hydra.help.header} + + == Configuration groups == + + Compose your configuration from those groups (group=option) + + + $APP_CONFIG_GROUPS + + + == Config == + + Override anything in the config (foo.bar=value) + + + $CONFIG + + + ${hydra.help.footer} + + ' + hydra_help: + template: 'Hydra (${hydra.runtime.version}) + + See https://hydra.cc for more info. + + + == Flags == + + $FLAGS_HELP + + + == Configuration groups == + + Compose your configuration from those groups (For example, append hydra/job_logging=disabled + to command line) + + + $HYDRA_CONFIG_GROUPS + + + Use ''--cfg hydra'' to Show the Hydra config. + + ' + hydra_help: ??? + hydra_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][HYDRA] %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + root: + level: INFO + handlers: + - console + loggers: + logging_example: + level: DEBUG + disable_existing_loggers: false + job_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][%(name)s][%(levelname)s] - %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + file: + class: logging.FileHandler + formatter: simple + filename: ${hydra.runtime.output_dir}/${hydra.job.name}.log + root: + level: INFO + handlers: + - console + - file + disable_existing_loggers: false + env: {} + mode: RUN + searchpath: [] + callbacks: {} + output_subdir: .hydra + overrides: + hydra: + - hydra.mode=RUN + task: + - inference.output_prefix=./ + - inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + - contigmap.contigs=[A46-291/0 150-150] + - inference.output_prefix=testoutputs/binder_test + - inference.num_designs=1 + job: + name: run_inference + chdir: null + override_dirname: contigmap.contigs=[A46-291/0 150-150],inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb,inference.num_designs=1,inference.output_prefix=./,inference.output_prefix=testoutputs/binder_test + id: ??? + num: ??? + config_name: base + env_set: {} + env_copy: [] + config: + override_dirname: + kv_sep: '=' + item_sep: ',' + exclude_keys: [] + runtime: + version: 1.3.2 + version_base: '1.3' + cwd: C:\Users\adminisiterlator\RFdiffusion + config_sources: + - path: hydra.conf + schema: pkg + provider: hydra + - path: C:\Users\adminisiterlator\RFdiffusion\config\inference + schema: file + provider: main + - path: '' + schema: structured + provider: schema + output_dir: C:\Users\adminisiterlator\RFdiffusion\outputs\2023-09-23\19-10-37 + choices: + hydra/env: default + hydra/callbacks: null + hydra/job_logging: default + hydra/hydra_logging: default + hydra/hydra_help: default + hydra/help: default + hydra/sweeper: basic + hydra/launcher: basic + hydra/output: default + verbose: false diff --git a/RFdiffusion/outputs/2023-09-23/19-10-37/.hydra/overrides.yaml b/RFdiffusion/outputs/2023-09-23/19-10-37/.hydra/overrides.yaml new file mode 100644 index 0000000000000000000000000000000000000000..2928067856ff6b898d2961a411526884ad2c89e6 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-23/19-10-37/.hydra/overrides.yaml @@ -0,0 +1,5 @@ +- inference.output_prefix=./ +- inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb +- contigmap.contigs=[A46-291/0 150-150] +- inference.output_prefix=testoutputs/binder_test +- inference.num_designs=1 diff --git a/RFdiffusion/outputs/2023-09-23/19-10-37/run_inference.log b/RFdiffusion/outputs/2023-09-23/19-10-37/run_inference.log new file mode 100644 index 0000000000000000000000000000000000000000..81b643750abe5adb145d4ad0d14881c31530944f --- /dev/null +++ b/RFdiffusion/outputs/2023-09-23/19-10-37/run_inference.log @@ -0,0 +1,106 @@ +[2023-09-23 19:10:37,110][__main__][INFO] - Found GPU with device_name NVIDIA GeForce RTX 2060. Will run RFdiffusion on NVIDIA GeForce RTX 2060 +[2023-09-23 19:10:37,110][rfdiffusion.inference.model_runners][INFO] - Reading checkpoint from C:\Users\adminisiterlator\RFdiffusion\rfdiffusion\inference/../../models/Base_ckpt.pt +[2023-09-23 19:10:42,655][rfdiffusion.inference.model_runners][INFO] - Loading checkpoint. +[2023-09-23 19:10:49,935][rfdiffusion.diffusion][INFO] - Using cached IGSO3. +[2023-09-23 19:10:49,977][__main__][INFO] - Making design testoutputs/binder_test_0 +[2023-09-23 19:10:50,015][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A46-291/0 150-150'] +[2023-09-23 19:10:50,111][rfdiffusion.inference.model_runners][INFO] - Sequence init: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 19:11:06,112][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.24 +[2023-09-23 19:11:06,120][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 19:11:15,224][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.23 +[2023-09-23 19:11:15,236][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 19:11:24,526][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.22 +[2023-09-23 19:11:24,532][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 19:11:34,268][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.22 +[2023-09-23 19:11:34,275][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 19:11:44,907][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.23 +[2023-09-23 19:11:44,915][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 19:11:55,995][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.22 +[2023-09-23 19:11:56,002][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 19:12:08,117][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.23 +[2023-09-23 19:12:08,126][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 19:12:21,609][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.23 +[2023-09-23 19:12:21,617][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 19:12:35,533][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.23 +[2023-09-23 19:12:35,555][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 19:12:49,141][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.22 +[2023-09-23 19:12:49,152][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 19:13:03,464][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.22 +[2023-09-23 19:13:03,475][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 19:13:19,095][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.22 +[2023-09-23 19:13:19,108][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 19:13:34,803][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.22 +[2023-09-23 19:13:34,824][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 19:13:49,641][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.23 +[2023-09-23 19:13:49,649][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 19:14:04,920][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.23 +[2023-09-23 19:14:04,929][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 19:14:20,385][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.23 +[2023-09-23 19:14:20,399][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 19:14:35,786][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.22 +[2023-09-23 19:14:35,795][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 19:14:51,425][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.23 +[2023-09-23 19:14:51,437][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 19:15:06,945][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.23 +[2023-09-23 19:15:06,959][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 19:15:22,485][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.23 +[2023-09-23 19:15:22,501][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 19:15:38,109][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.23 +[2023-09-23 19:15:38,119][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 19:15:53,643][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.22 +[2023-09-23 19:15:53,654][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 19:16:07,080][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.22 +[2023-09-23 19:16:07,090][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 19:16:21,092][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.22 +[2023-09-23 19:16:21,102][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 19:16:35,141][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.22 +[2023-09-23 19:16:35,151][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 19:16:49,174][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.22 +[2023-09-23 19:16:49,187][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 19:17:03,304][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.22 +[2023-09-23 19:17:03,314][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 19:17:17,328][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.22 +[2023-09-23 19:17:17,340][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 19:17:31,307][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.22 +[2023-09-23 19:17:31,317][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 19:17:45,515][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.23 +[2023-09-23 19:17:45,528][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 19:17:59,742][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.23 +[2023-09-23 19:17:59,752][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 19:18:13,862][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.23 +[2023-09-23 19:18:13,872][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 19:18:27,905][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.23 +[2023-09-23 19:18:27,914][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 19:18:41,887][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.24 +[2023-09-23 19:18:41,893][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 19:18:55,855][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.24 +[2023-09-23 19:18:55,875][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 19:19:09,819][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.23 +[2023-09-23 19:19:09,828][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 19:19:23,770][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.23 +[2023-09-23 19:19:23,775][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 19:19:37,738][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.23 +[2023-09-23 19:19:37,746][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 19:19:51,671][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.23 +[2023-09-23 19:19:51,681][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 19:20:05,607][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.22 +[2023-09-23 19:20:05,616][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 19:20:19,539][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.23 +[2023-09-23 19:20:19,548][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 19:20:33,166][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.23 +[2023-09-23 19:20:33,176][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 19:20:46,739][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.23 +[2023-09-23 19:20:46,751][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 19:21:00,304][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.22 +[2023-09-23 19:21:00,314][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 19:21:13,866][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.22 +[2023-09-23 19:21:13,876][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 19:21:27,432][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.22 +[2023-09-23 19:21:27,442][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 19:21:41,008][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.21 +[2023-09-23 19:21:41,018][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 19:21:54,514][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.21 +[2023-09-23 19:21:54,532][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 19:22:08,055][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.21 +[2023-09-23 19:22:08,065][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 19:22:38,918][__main__][INFO] - Finished design in 11.82 minutes diff --git a/RFdiffusion/outputs/2023-09-23/19-43-58/.hydra/config.yaml b/RFdiffusion/outputs/2023-09-23/19-43-58/.hydra/config.yaml new file mode 100644 index 0000000000000000000000000000000000000000..4983a4e515291620cb86080638ddbabffb23209f --- /dev/null +++ b/RFdiffusion/outputs/2023-09-23/19-43-58/.hydra/config.yaml @@ -0,0 +1,180 @@ +inference: + input_pdb: C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + num_designs: 1 + design_startnum: 0 + ckpt_override_path: null + symmetry: null + recenter: true + radius: 10.0 + model_only_neighbors: false + output_prefix: testoutputs/binder_test + write_trajectory: true + scaffold_guided: false + model_runner: SelfConditioning + cautious: true + align_motif: true + symmetric_self_cond: true + final_step: 1 + deterministic: false + trb_save_ckpt_path: null + schedule_directory_path: null + model_directory_path: null +contigmap: + contigs: + - A46-291/0 150-150 + inpaint_seq: null + provide_seq: null + length: null +model: + n_extra_block: 4 + n_main_block: 32 + n_ref_block: 4 + d_msa: 256 + d_msa_full: 64 + d_pair: 128 + d_templ: 64 + n_head_msa: 8 + n_head_pair: 4 + n_head_templ: 4 + d_hidden: 32 + d_hidden_templ: 32 + p_drop: 0.15 + SE3_param_full: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 8 + l0_out_features: 8 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 32 + SE3_param_topk: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 64 + l0_out_features: 64 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 64 + freeze_track_motif: false + use_motif_timestep: false +diffuser: + T: 50 + b_0: 0.01 + b_T: 0.07 + schedule_type: linear + so3_type: igso3 + crd_scale: 0.25 + partial_T: null + so3_schedule_type: linear + min_b: 1.5 + max_b: 2.5 + min_sigma: 0.02 + max_sigma: 1.5 +denoiser: + noise_scale_ca: 1 + final_noise_scale_ca: 1 + ca_noise_schedule_type: constant + noise_scale_frame: 1 + final_noise_scale_frame: 1 + frame_noise_schedule_type: constant +ppi: + hotspot_res: + - A48 + - A64 + - A73 + - A74 + - A75 + - A76 + - A81 + - A92 + - A93 + - A94 + - A95 + - A97 + - A100 + - A102 + - A110 + - A129 + - A133 + - A134 + - A136 + - A137 + - A138 + - A142 + - A155 + - A158 + - A165 + - A166 + - A168 + - A169 + - A184 + - A189 + - A192 + - A193 + - A205 + - A206 + - A209 + - A212 + - A215 + - A222 + - A223 + - A225 + - A226 + - A227 + - A228 + - A229 + - A230 + - A234 + - A241 + - A251 + - A257 + - A258 + - A259 + - A260 + - A271 + - A275 + - A276 +potentials: + guiding_potentials: null + guide_scale: 10 + guide_decay: constant + olig_inter_all: null + olig_intra_all: null + olig_custom_contact: null + substrate: null +contig_settings: + ref_idx: null + hal_idx: null + idx_rf: null + inpaint_seq_tensor: null +preprocess: + sidechain_input: false + motif_sidechain_input: true + d_t1d: 22 + d_t2d: 44 + prob_self_cond: 0.0 + str_self_cond: false + predict_previous: false +logging: + inputs: false +scaffoldguided: + scaffoldguided: false + target_pdb: false + target_path: null + scaffold_list: null + scaffold_dir: null + sampled_insertion: 0 + sampled_N: 0 + sampled_C: 0 + ss_mask: 0 + systematic: false + target_ss: null + target_adj: null + mask_loops: true + contig_crop: null diff --git a/RFdiffusion/outputs/2023-09-23/19-43-58/.hydra/hydra.yaml b/RFdiffusion/outputs/2023-09-23/19-43-58/.hydra/hydra.yaml new file mode 100644 index 0000000000000000000000000000000000000000..12e6635ac1437076798020392ae67c65c46e989f --- /dev/null +++ b/RFdiffusion/outputs/2023-09-23/19-43-58/.hydra/hydra.yaml @@ -0,0 +1,160 @@ +hydra: + run: + dir: outputs/${now:%Y-%m-%d}/${now:%H-%M-%S} + sweep: + dir: multirun/${now:%Y-%m-%d}/${now:%H-%M-%S} + subdir: ${hydra.job.num} + launcher: + _target_: hydra._internal.core_plugins.basic_launcher.BasicLauncher + sweeper: + _target_: hydra._internal.core_plugins.basic_sweeper.BasicSweeper + max_batch_size: null + params: null + help: + app_name: ${hydra.job.name} + header: '${hydra.help.app_name} is powered by Hydra. + + ' + footer: 'Powered by Hydra (https://hydra.cc) + + Use --hydra-help to view Hydra specific help + + ' + template: '${hydra.help.header} + + == Configuration groups == + + Compose your configuration from those groups (group=option) + + + $APP_CONFIG_GROUPS + + + == Config == + + Override anything in the config (foo.bar=value) + + + $CONFIG + + + ${hydra.help.footer} + + ' + hydra_help: + template: 'Hydra (${hydra.runtime.version}) + + See https://hydra.cc for more info. + + + == Flags == + + $FLAGS_HELP + + + == Configuration groups == + + Compose your configuration from those groups (For example, append hydra/job_logging=disabled + to command line) + + + $HYDRA_CONFIG_GROUPS + + + Use ''--cfg hydra'' to Show the Hydra config. + + ' + hydra_help: ??? + hydra_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][HYDRA] %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + root: + level: INFO + handlers: + - console + loggers: + logging_example: + level: DEBUG + disable_existing_loggers: false + job_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][%(name)s][%(levelname)s] - %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + file: + class: logging.FileHandler + formatter: simple + filename: ${hydra.runtime.output_dir}/${hydra.job.name}.log + root: + level: INFO + handlers: + - console + - file + disable_existing_loggers: false + env: {} + mode: RUN + searchpath: [] + callbacks: {} + output_subdir: .hydra + overrides: + hydra: + - hydra.mode=RUN + task: + - inference.output_prefix=./ + - inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + - contigmap.contigs=[A46-291/0 150-150] + - ppi.hotspot_res=[A48,A64,A73,A74,A75,A76,A81,A92,A93,A94,A95,A97,A100,A102,A110,A129,A133,A134,A136,A137,A138,A142,A155,A158,A165,A166,A168,A169,A184,A189,A192,A193,A205,A206,A209,A212,A215,A222,A223,A225,A226,A227,A228,A229,A230,A234,A241,A251,A257,A258,A259,A260,A271,A275,A276] + - inference.output_prefix=testoutputs/binder_test + - inference.num_designs=1 + job: + name: run_inference + chdir: null + override_dirname: contigmap.contigs=[A46-291/0 150-150],inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb,inference.num_designs=1,inference.output_prefix=./,inference.output_prefix=testoutputs/binder_test,ppi.hotspot_res=[A48,A64,A73,A74,A75,A76,A81,A92,A93,A94,A95,A97,A100,A102,A110,A129,A133,A134,A136,A137,A138,A142,A155,A158,A165,A166,A168,A169,A184,A189,A192,A193,A205,A206,A209,A212,A215,A222,A223,A225,A226,A227,A228,A229,A230,A234,A241,A251,A257,A258,A259,A260,A271,A275,A276] + id: ??? + num: ??? + config_name: base + env_set: {} + env_copy: [] + config: + override_dirname: + kv_sep: '=' + item_sep: ',' + exclude_keys: [] + runtime: + version: 1.3.2 + version_base: '1.3' + cwd: C:\Users\adminisiterlator\RFdiffusion + config_sources: + - path: hydra.conf + schema: pkg + provider: hydra + - path: C:\Users\adminisiterlator\RFdiffusion\config\inference + schema: file + provider: main + - path: '' + schema: structured + provider: schema + output_dir: C:\Users\adminisiterlator\RFdiffusion\outputs\2023-09-23\19-43-58 + choices: + hydra/env: default + hydra/callbacks: null + hydra/job_logging: default + hydra/hydra_logging: default + hydra/hydra_help: default + hydra/help: default + hydra/sweeper: basic + hydra/launcher: basic + hydra/output: default + verbose: false diff --git a/RFdiffusion/outputs/2023-09-23/19-43-58/.hydra/overrides.yaml b/RFdiffusion/outputs/2023-09-23/19-43-58/.hydra/overrides.yaml new file mode 100644 index 0000000000000000000000000000000000000000..cb69f7c30b4fa42798fb64a66538224f46f5a45f --- /dev/null +++ b/RFdiffusion/outputs/2023-09-23/19-43-58/.hydra/overrides.yaml @@ -0,0 +1,6 @@ +- inference.output_prefix=./ +- inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb +- contigmap.contigs=[A46-291/0 150-150] +- ppi.hotspot_res=[A48,A64,A73,A74,A75,A76,A81,A92,A93,A94,A95,A97,A100,A102,A110,A129,A133,A134,A136,A137,A138,A142,A155,A158,A165,A166,A168,A169,A184,A189,A192,A193,A205,A206,A209,A212,A215,A222,A223,A225,A226,A227,A228,A229,A230,A234,A241,A251,A257,A258,A259,A260,A271,A275,A276] +- inference.output_prefix=testoutputs/binder_test +- inference.num_designs=1 diff --git a/RFdiffusion/outputs/2023-09-23/19-43-58/run_inference.log b/RFdiffusion/outputs/2023-09-23/19-43-58/run_inference.log new file mode 100644 index 0000000000000000000000000000000000000000..d8e8822884364064f3791cbae9e851ccb4b7bbf7 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-23/19-43-58/run_inference.log @@ -0,0 +1,2 @@ +[2023-09-23 19:43:58,571][__main__][INFO] - Found GPU with device_name NVIDIA GeForce RTX 2060. Will run RFdiffusion on NVIDIA GeForce RTX 2060 +[2023-09-23 19:43:58,572][rfdiffusion.inference.model_runners][INFO] - Reading checkpoint from C:\Users\adminisiterlator\RFdiffusion\rfdiffusion\inference/../../models/Complex_base_ckpt.pt diff --git a/RFdiffusion/outputs/2023-09-23/19-57-54/.hydra/config.yaml b/RFdiffusion/outputs/2023-09-23/19-57-54/.hydra/config.yaml new file mode 100644 index 0000000000000000000000000000000000000000..4983a4e515291620cb86080638ddbabffb23209f --- /dev/null +++ b/RFdiffusion/outputs/2023-09-23/19-57-54/.hydra/config.yaml @@ -0,0 +1,180 @@ +inference: + input_pdb: C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + num_designs: 1 + design_startnum: 0 + ckpt_override_path: null + symmetry: null + recenter: true + radius: 10.0 + model_only_neighbors: false + output_prefix: testoutputs/binder_test + write_trajectory: true + scaffold_guided: false + model_runner: SelfConditioning + cautious: true + align_motif: true + symmetric_self_cond: true + final_step: 1 + deterministic: false + trb_save_ckpt_path: null + schedule_directory_path: null + model_directory_path: null +contigmap: + contigs: + - A46-291/0 150-150 + inpaint_seq: null + provide_seq: null + length: null +model: + n_extra_block: 4 + n_main_block: 32 + n_ref_block: 4 + d_msa: 256 + d_msa_full: 64 + d_pair: 128 + d_templ: 64 + n_head_msa: 8 + n_head_pair: 4 + n_head_templ: 4 + d_hidden: 32 + d_hidden_templ: 32 + p_drop: 0.15 + SE3_param_full: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 8 + l0_out_features: 8 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 32 + SE3_param_topk: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 64 + l0_out_features: 64 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 64 + freeze_track_motif: false + use_motif_timestep: false +diffuser: + T: 50 + b_0: 0.01 + b_T: 0.07 + schedule_type: linear + so3_type: igso3 + crd_scale: 0.25 + partial_T: null + so3_schedule_type: linear + min_b: 1.5 + max_b: 2.5 + min_sigma: 0.02 + max_sigma: 1.5 +denoiser: + noise_scale_ca: 1 + final_noise_scale_ca: 1 + ca_noise_schedule_type: constant + noise_scale_frame: 1 + final_noise_scale_frame: 1 + frame_noise_schedule_type: constant +ppi: + hotspot_res: + - A48 + - A64 + - A73 + - A74 + - A75 + - A76 + - A81 + - A92 + - A93 + - A94 + - A95 + - A97 + - A100 + - A102 + - A110 + - A129 + - A133 + - A134 + - A136 + - A137 + - A138 + - A142 + - A155 + - A158 + - A165 + - A166 + - A168 + - A169 + - A184 + - A189 + - A192 + - A193 + - A205 + - A206 + - A209 + - A212 + - A215 + - A222 + - A223 + - A225 + - A226 + - A227 + - A228 + - A229 + - A230 + - A234 + - A241 + - A251 + - A257 + - A258 + - A259 + - A260 + - A271 + - A275 + - A276 +potentials: + guiding_potentials: null + guide_scale: 10 + guide_decay: constant + olig_inter_all: null + olig_intra_all: null + olig_custom_contact: null + substrate: null +contig_settings: + ref_idx: null + hal_idx: null + idx_rf: null + inpaint_seq_tensor: null +preprocess: + sidechain_input: false + motif_sidechain_input: true + d_t1d: 22 + d_t2d: 44 + prob_self_cond: 0.0 + str_self_cond: false + predict_previous: false +logging: + inputs: false +scaffoldguided: + scaffoldguided: false + target_pdb: false + target_path: null + scaffold_list: null + scaffold_dir: null + sampled_insertion: 0 + sampled_N: 0 + sampled_C: 0 + ss_mask: 0 + systematic: false + target_ss: null + target_adj: null + mask_loops: true + contig_crop: null diff --git a/RFdiffusion/outputs/2023-09-23/19-57-54/.hydra/hydra.yaml b/RFdiffusion/outputs/2023-09-23/19-57-54/.hydra/hydra.yaml new file mode 100644 index 0000000000000000000000000000000000000000..9e0fa21217cc0fe4a8ae6e01f5ac99401b6b7aac --- /dev/null +++ b/RFdiffusion/outputs/2023-09-23/19-57-54/.hydra/hydra.yaml @@ -0,0 +1,160 @@ +hydra: + run: + dir: outputs/${now:%Y-%m-%d}/${now:%H-%M-%S} + sweep: + dir: multirun/${now:%Y-%m-%d}/${now:%H-%M-%S} + subdir: ${hydra.job.num} + launcher: + _target_: hydra._internal.core_plugins.basic_launcher.BasicLauncher + sweeper: + _target_: hydra._internal.core_plugins.basic_sweeper.BasicSweeper + max_batch_size: null + params: null + help: + app_name: ${hydra.job.name} + header: '${hydra.help.app_name} is powered by Hydra. + + ' + footer: 'Powered by Hydra (https://hydra.cc) + + Use --hydra-help to view Hydra specific help + + ' + template: '${hydra.help.header} + + == Configuration groups == + + Compose your configuration from those groups (group=option) + + + $APP_CONFIG_GROUPS + + + == Config == + + Override anything in the config (foo.bar=value) + + + $CONFIG + + + ${hydra.help.footer} + + ' + hydra_help: + template: 'Hydra (${hydra.runtime.version}) + + See https://hydra.cc for more info. + + + == Flags == + + $FLAGS_HELP + + + == Configuration groups == + + Compose your configuration from those groups (For example, append hydra/job_logging=disabled + to command line) + + + $HYDRA_CONFIG_GROUPS + + + Use ''--cfg hydra'' to Show the Hydra config. + + ' + hydra_help: ??? + hydra_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][HYDRA] %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + root: + level: INFO + handlers: + - console + loggers: + logging_example: + level: DEBUG + disable_existing_loggers: false + job_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][%(name)s][%(levelname)s] - %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + file: + class: logging.FileHandler + formatter: simple + filename: ${hydra.runtime.output_dir}/${hydra.job.name}.log + root: + level: INFO + handlers: + - console + - file + disable_existing_loggers: false + env: {} + mode: RUN + searchpath: [] + callbacks: {} + output_subdir: .hydra + overrides: + hydra: + - hydra.mode=RUN + task: + - inference.output_prefix=./ + - inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + - contigmap.contigs=[A46-291/0 150-150] + - ppi.hotspot_res=[A48,A64,A73,A74,A75,A76,A81,A92,A93,A94,A95,A97,A100,A102,A110,A129,A133,A134,A136,A137,A138,A142,A155,A158,A165,A166,A168,A169,A184,A189,A192,A193,A205,A206,A209,A212,A215,A222,A223,A225,A226,A227,A228,A229,A230,A234,A241,A251,A257,A258,A259,A260,A271,A275,A276] + - inference.output_prefix=testoutputs/binder_test + - inference.num_designs=1 + job: + name: run_inference + chdir: null + override_dirname: contigmap.contigs=[A46-291/0 150-150],inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb,inference.num_designs=1,inference.output_prefix=./,inference.output_prefix=testoutputs/binder_test,ppi.hotspot_res=[A48,A64,A73,A74,A75,A76,A81,A92,A93,A94,A95,A97,A100,A102,A110,A129,A133,A134,A136,A137,A138,A142,A155,A158,A165,A166,A168,A169,A184,A189,A192,A193,A205,A206,A209,A212,A215,A222,A223,A225,A226,A227,A228,A229,A230,A234,A241,A251,A257,A258,A259,A260,A271,A275,A276] + id: ??? + num: ??? + config_name: base + env_set: {} + env_copy: [] + config: + override_dirname: + kv_sep: '=' + item_sep: ',' + exclude_keys: [] + runtime: + version: 1.3.2 + version_base: '1.3' + cwd: C:\Users\adminisiterlator\RFdiffusion + config_sources: + - path: hydra.conf + schema: pkg + provider: hydra + - path: C:\Users\adminisiterlator\RFdiffusion\config\inference + schema: file + provider: main + - path: '' + schema: structured + provider: schema + output_dir: C:\Users\adminisiterlator\RFdiffusion\outputs\2023-09-23\19-57-54 + choices: + hydra/env: default + hydra/callbacks: null + hydra/job_logging: default + hydra/hydra_logging: default + hydra/hydra_help: default + hydra/help: default + hydra/sweeper: basic + hydra/launcher: basic + hydra/output: default + verbose: false diff --git a/RFdiffusion/outputs/2023-09-23/19-57-54/.hydra/overrides.yaml b/RFdiffusion/outputs/2023-09-23/19-57-54/.hydra/overrides.yaml new file mode 100644 index 0000000000000000000000000000000000000000..cb69f7c30b4fa42798fb64a66538224f46f5a45f --- /dev/null +++ b/RFdiffusion/outputs/2023-09-23/19-57-54/.hydra/overrides.yaml @@ -0,0 +1,6 @@ +- inference.output_prefix=./ +- inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb +- contigmap.contigs=[A46-291/0 150-150] +- ppi.hotspot_res=[A48,A64,A73,A74,A75,A76,A81,A92,A93,A94,A95,A97,A100,A102,A110,A129,A133,A134,A136,A137,A138,A142,A155,A158,A165,A166,A168,A169,A184,A189,A192,A193,A205,A206,A209,A212,A215,A222,A223,A225,A226,A227,A228,A229,A230,A234,A241,A251,A257,A258,A259,A260,A271,A275,A276] +- inference.output_prefix=testoutputs/binder_test +- inference.num_designs=1 diff --git a/RFdiffusion/outputs/2023-09-23/19-57-54/run_inference.log b/RFdiffusion/outputs/2023-09-23/19-57-54/run_inference.log new file mode 100644 index 0000000000000000000000000000000000000000..0bac93f1a3b78dc1714b015fbcc0825daa0529c4 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-23/19-57-54/run_inference.log @@ -0,0 +1,2 @@ +[2023-09-23 19:57:54,350][__main__][INFO] - Found GPU with device_name NVIDIA GeForce RTX 2060. Will run RFdiffusion on NVIDIA GeForce RTX 2060 +[2023-09-23 19:57:54,351][rfdiffusion.inference.model_runners][INFO] - Reading checkpoint from C:\Users\adminisiterlator\RFdiffusion\rfdiffusion\inference/../../models/Complex_base_ckpt.pt diff --git a/RFdiffusion/outputs/2023-09-23/20-28-35/.hydra/config.yaml b/RFdiffusion/outputs/2023-09-23/20-28-35/.hydra/config.yaml new file mode 100644 index 0000000000000000000000000000000000000000..4983a4e515291620cb86080638ddbabffb23209f --- /dev/null +++ b/RFdiffusion/outputs/2023-09-23/20-28-35/.hydra/config.yaml @@ -0,0 +1,180 @@ +inference: + input_pdb: C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + num_designs: 1 + design_startnum: 0 + ckpt_override_path: null + symmetry: null + recenter: true + radius: 10.0 + model_only_neighbors: false + output_prefix: testoutputs/binder_test + write_trajectory: true + scaffold_guided: false + model_runner: SelfConditioning + cautious: true + align_motif: true + symmetric_self_cond: true + final_step: 1 + deterministic: false + trb_save_ckpt_path: null + schedule_directory_path: null + model_directory_path: null +contigmap: + contigs: + - A46-291/0 150-150 + inpaint_seq: null + provide_seq: null + length: null +model: + n_extra_block: 4 + n_main_block: 32 + n_ref_block: 4 + d_msa: 256 + d_msa_full: 64 + d_pair: 128 + d_templ: 64 + n_head_msa: 8 + n_head_pair: 4 + n_head_templ: 4 + d_hidden: 32 + d_hidden_templ: 32 + p_drop: 0.15 + SE3_param_full: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 8 + l0_out_features: 8 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 32 + SE3_param_topk: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 64 + l0_out_features: 64 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 64 + freeze_track_motif: false + use_motif_timestep: false +diffuser: + T: 50 + b_0: 0.01 + b_T: 0.07 + schedule_type: linear + so3_type: igso3 + crd_scale: 0.25 + partial_T: null + so3_schedule_type: linear + min_b: 1.5 + max_b: 2.5 + min_sigma: 0.02 + max_sigma: 1.5 +denoiser: + noise_scale_ca: 1 + final_noise_scale_ca: 1 + ca_noise_schedule_type: constant + noise_scale_frame: 1 + final_noise_scale_frame: 1 + frame_noise_schedule_type: constant +ppi: + hotspot_res: + - A48 + - A64 + - A73 + - A74 + - A75 + - A76 + - A81 + - A92 + - A93 + - A94 + - A95 + - A97 + - A100 + - A102 + - A110 + - A129 + - A133 + - A134 + - A136 + - A137 + - A138 + - A142 + - A155 + - A158 + - A165 + - A166 + - A168 + - A169 + - A184 + - A189 + - A192 + - A193 + - A205 + - A206 + - A209 + - A212 + - A215 + - A222 + - A223 + - A225 + - A226 + - A227 + - A228 + - A229 + - A230 + - A234 + - A241 + - A251 + - A257 + - A258 + - A259 + - A260 + - A271 + - A275 + - A276 +potentials: + guiding_potentials: null + guide_scale: 10 + guide_decay: constant + olig_inter_all: null + olig_intra_all: null + olig_custom_contact: null + substrate: null +contig_settings: + ref_idx: null + hal_idx: null + idx_rf: null + inpaint_seq_tensor: null +preprocess: + sidechain_input: false + motif_sidechain_input: true + d_t1d: 22 + d_t2d: 44 + prob_self_cond: 0.0 + str_self_cond: false + predict_previous: false +logging: + inputs: false +scaffoldguided: + scaffoldguided: false + target_pdb: false + target_path: null + scaffold_list: null + scaffold_dir: null + sampled_insertion: 0 + sampled_N: 0 + sampled_C: 0 + ss_mask: 0 + systematic: false + target_ss: null + target_adj: null + mask_loops: true + contig_crop: null diff --git a/RFdiffusion/outputs/2023-09-23/20-28-35/.hydra/hydra.yaml b/RFdiffusion/outputs/2023-09-23/20-28-35/.hydra/hydra.yaml new file mode 100644 index 0000000000000000000000000000000000000000..7ec699e58bbd20d80f71427000657c1971e713ec --- /dev/null +++ b/RFdiffusion/outputs/2023-09-23/20-28-35/.hydra/hydra.yaml @@ -0,0 +1,160 @@ +hydra: + run: + dir: outputs/${now:%Y-%m-%d}/${now:%H-%M-%S} + sweep: + dir: multirun/${now:%Y-%m-%d}/${now:%H-%M-%S} + subdir: ${hydra.job.num} + launcher: + _target_: hydra._internal.core_plugins.basic_launcher.BasicLauncher + sweeper: + _target_: hydra._internal.core_plugins.basic_sweeper.BasicSweeper + max_batch_size: null + params: null + help: + app_name: ${hydra.job.name} + header: '${hydra.help.app_name} is powered by Hydra. + + ' + footer: 'Powered by Hydra (https://hydra.cc) + + Use --hydra-help to view Hydra specific help + + ' + template: '${hydra.help.header} + + == Configuration groups == + + Compose your configuration from those groups (group=option) + + + $APP_CONFIG_GROUPS + + + == Config == + + Override anything in the config (foo.bar=value) + + + $CONFIG + + + ${hydra.help.footer} + + ' + hydra_help: + template: 'Hydra (${hydra.runtime.version}) + + See https://hydra.cc for more info. + + + == Flags == + + $FLAGS_HELP + + + == Configuration groups == + + Compose your configuration from those groups (For example, append hydra/job_logging=disabled + to command line) + + + $HYDRA_CONFIG_GROUPS + + + Use ''--cfg hydra'' to Show the Hydra config. + + ' + hydra_help: ??? + hydra_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][HYDRA] %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + root: + level: INFO + handlers: + - console + loggers: + logging_example: + level: DEBUG + disable_existing_loggers: false + job_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][%(name)s][%(levelname)s] - %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + file: + class: logging.FileHandler + formatter: simple + filename: ${hydra.runtime.output_dir}/${hydra.job.name}.log + root: + level: INFO + handlers: + - console + - file + disable_existing_loggers: false + env: {} + mode: RUN + searchpath: [] + callbacks: {} + output_subdir: .hydra + overrides: + hydra: + - hydra.mode=RUN + task: + - inference.output_prefix=./ + - inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + - contigmap.contigs=[A46-291/0 150-150] + - ppi.hotspot_res=[A48,A64,A73,A74,A75,A76,A81,A92,A93,A94,A95,A97,A100,A102,A110,A129,A133,A134,A136,A137,A138,A142,A155,A158,A165,A166,A168,A169,A184,A189,A192,A193,A205,A206,A209,A212,A215,A222,A223,A225,A226,A227,A228,A229,A230,A234,A241,A251,A257,A258,A259,A260,A271,A275,A276] + - inference.output_prefix=testoutputs/binder_test + - inference.num_designs=1 + job: + name: run_inference + chdir: null + override_dirname: contigmap.contigs=[A46-291/0 150-150],inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb,inference.num_designs=1,inference.output_prefix=./,inference.output_prefix=testoutputs/binder_test,ppi.hotspot_res=[A48,A64,A73,A74,A75,A76,A81,A92,A93,A94,A95,A97,A100,A102,A110,A129,A133,A134,A136,A137,A138,A142,A155,A158,A165,A166,A168,A169,A184,A189,A192,A193,A205,A206,A209,A212,A215,A222,A223,A225,A226,A227,A228,A229,A230,A234,A241,A251,A257,A258,A259,A260,A271,A275,A276] + id: ??? + num: ??? + config_name: base + env_set: {} + env_copy: [] + config: + override_dirname: + kv_sep: '=' + item_sep: ',' + exclude_keys: [] + runtime: + version: 1.3.2 + version_base: '1.3' + cwd: C:\Users\adminisiterlator\RFdiffusion + config_sources: + - path: hydra.conf + schema: pkg + provider: hydra + - path: C:\Users\adminisiterlator\RFdiffusion\config\inference + schema: file + provider: main + - path: '' + schema: structured + provider: schema + output_dir: C:\Users\adminisiterlator\RFdiffusion\outputs\2023-09-23\20-28-35 + choices: + hydra/env: default + hydra/callbacks: null + hydra/job_logging: default + hydra/hydra_logging: default + hydra/hydra_help: default + hydra/help: default + hydra/sweeper: basic + hydra/launcher: basic + hydra/output: default + verbose: false diff --git a/RFdiffusion/outputs/2023-09-23/20-28-35/.hydra/overrides.yaml b/RFdiffusion/outputs/2023-09-23/20-28-35/.hydra/overrides.yaml new file mode 100644 index 0000000000000000000000000000000000000000..cb69f7c30b4fa42798fb64a66538224f46f5a45f --- /dev/null +++ b/RFdiffusion/outputs/2023-09-23/20-28-35/.hydra/overrides.yaml @@ -0,0 +1,6 @@ +- inference.output_prefix=./ +- inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb +- contigmap.contigs=[A46-291/0 150-150] +- ppi.hotspot_res=[A48,A64,A73,A74,A75,A76,A81,A92,A93,A94,A95,A97,A100,A102,A110,A129,A133,A134,A136,A137,A138,A142,A155,A158,A165,A166,A168,A169,A184,A189,A192,A193,A205,A206,A209,A212,A215,A222,A223,A225,A226,A227,A228,A229,A230,A234,A241,A251,A257,A258,A259,A260,A271,A275,A276] +- inference.output_prefix=testoutputs/binder_test +- inference.num_designs=1 diff --git a/RFdiffusion/outputs/2023-09-23/20-28-35/run_inference.log b/RFdiffusion/outputs/2023-09-23/20-28-35/run_inference.log new file mode 100644 index 0000000000000000000000000000000000000000..ca0f1d5e4e72fa98e622ebc2e70669e3e66f2580 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-23/20-28-35/run_inference.log @@ -0,0 +1,6 @@ +[2023-09-23 20:28:35,260][__main__][INFO] - Found GPU with device_name NVIDIA GeForce RTX 2060. Will run RFdiffusion on NVIDIA GeForce RTX 2060 +[2023-09-23 20:28:35,262][rfdiffusion.inference.model_runners][INFO] - Reading checkpoint from C:\Users\adminisiterlator\RFdiffusion\rfdiffusion\inference/../../models/Complex_base_ckpt.pt +[2023-09-23 20:28:41,615][rfdiffusion.inference.model_runners][INFO] - Loading checkpoint. +[2023-09-23 20:28:50,187][rfdiffusion.diffusion][INFO] - Using cached IGSO3. +[2023-09-23 20:28:50,240][__main__][INFO] - Making design testoutputs/binder_test_0 +[2023-09-23 20:28:50,241][__main__][INFO] - (cautious mode) Skipping this design because testoutputs/binder_test_0.pdb already exists. diff --git a/RFdiffusion/outputs/2023-09-23/20-30-29/.hydra/config.yaml b/RFdiffusion/outputs/2023-09-23/20-30-29/.hydra/config.yaml new file mode 100644 index 0000000000000000000000000000000000000000..4983a4e515291620cb86080638ddbabffb23209f --- /dev/null +++ b/RFdiffusion/outputs/2023-09-23/20-30-29/.hydra/config.yaml @@ -0,0 +1,180 @@ +inference: + input_pdb: C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + num_designs: 1 + design_startnum: 0 + ckpt_override_path: null + symmetry: null + recenter: true + radius: 10.0 + model_only_neighbors: false + output_prefix: testoutputs/binder_test + write_trajectory: true + scaffold_guided: false + model_runner: SelfConditioning + cautious: true + align_motif: true + symmetric_self_cond: true + final_step: 1 + deterministic: false + trb_save_ckpt_path: null + schedule_directory_path: null + model_directory_path: null +contigmap: + contigs: + - A46-291/0 150-150 + inpaint_seq: null + provide_seq: null + length: null +model: + n_extra_block: 4 + n_main_block: 32 + n_ref_block: 4 + d_msa: 256 + d_msa_full: 64 + d_pair: 128 + d_templ: 64 + n_head_msa: 8 + n_head_pair: 4 + n_head_templ: 4 + d_hidden: 32 + d_hidden_templ: 32 + p_drop: 0.15 + SE3_param_full: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 8 + l0_out_features: 8 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 32 + SE3_param_topk: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 64 + l0_out_features: 64 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 64 + freeze_track_motif: false + use_motif_timestep: false +diffuser: + T: 50 + b_0: 0.01 + b_T: 0.07 + schedule_type: linear + so3_type: igso3 + crd_scale: 0.25 + partial_T: null + so3_schedule_type: linear + min_b: 1.5 + max_b: 2.5 + min_sigma: 0.02 + max_sigma: 1.5 +denoiser: + noise_scale_ca: 1 + final_noise_scale_ca: 1 + ca_noise_schedule_type: constant + noise_scale_frame: 1 + final_noise_scale_frame: 1 + frame_noise_schedule_type: constant +ppi: + hotspot_res: + - A48 + - A64 + - A73 + - A74 + - A75 + - A76 + - A81 + - A92 + - A93 + - A94 + - A95 + - A97 + - A100 + - A102 + - A110 + - A129 + - A133 + - A134 + - A136 + - A137 + - A138 + - A142 + - A155 + - A158 + - A165 + - A166 + - A168 + - A169 + - A184 + - A189 + - A192 + - A193 + - A205 + - A206 + - A209 + - A212 + - A215 + - A222 + - A223 + - A225 + - A226 + - A227 + - A228 + - A229 + - A230 + - A234 + - A241 + - A251 + - A257 + - A258 + - A259 + - A260 + - A271 + - A275 + - A276 +potentials: + guiding_potentials: null + guide_scale: 10 + guide_decay: constant + olig_inter_all: null + olig_intra_all: null + olig_custom_contact: null + substrate: null +contig_settings: + ref_idx: null + hal_idx: null + idx_rf: null + inpaint_seq_tensor: null +preprocess: + sidechain_input: false + motif_sidechain_input: true + d_t1d: 22 + d_t2d: 44 + prob_self_cond: 0.0 + str_self_cond: false + predict_previous: false +logging: + inputs: false +scaffoldguided: + scaffoldguided: false + target_pdb: false + target_path: null + scaffold_list: null + scaffold_dir: null + sampled_insertion: 0 + sampled_N: 0 + sampled_C: 0 + ss_mask: 0 + systematic: false + target_ss: null + target_adj: null + mask_loops: true + contig_crop: null diff --git a/RFdiffusion/outputs/2023-09-23/20-30-29/.hydra/hydra.yaml b/RFdiffusion/outputs/2023-09-23/20-30-29/.hydra/hydra.yaml new file mode 100644 index 0000000000000000000000000000000000000000..4b53d8c85e7dc85105a2bb0cdad1b6b9c239890c --- /dev/null +++ b/RFdiffusion/outputs/2023-09-23/20-30-29/.hydra/hydra.yaml @@ -0,0 +1,160 @@ +hydra: + run: + dir: outputs/${now:%Y-%m-%d}/${now:%H-%M-%S} + sweep: + dir: multirun/${now:%Y-%m-%d}/${now:%H-%M-%S} + subdir: ${hydra.job.num} + launcher: + _target_: hydra._internal.core_plugins.basic_launcher.BasicLauncher + sweeper: + _target_: hydra._internal.core_plugins.basic_sweeper.BasicSweeper + max_batch_size: null + params: null + help: + app_name: ${hydra.job.name} + header: '${hydra.help.app_name} is powered by Hydra. + + ' + footer: 'Powered by Hydra (https://hydra.cc) + + Use --hydra-help to view Hydra specific help + + ' + template: '${hydra.help.header} + + == Configuration groups == + + Compose your configuration from those groups (group=option) + + + $APP_CONFIG_GROUPS + + + == Config == + + Override anything in the config (foo.bar=value) + + + $CONFIG + + + ${hydra.help.footer} + + ' + hydra_help: + template: 'Hydra (${hydra.runtime.version}) + + See https://hydra.cc for more info. + + + == Flags == + + $FLAGS_HELP + + + == Configuration groups == + + Compose your configuration from those groups (For example, append hydra/job_logging=disabled + to command line) + + + $HYDRA_CONFIG_GROUPS + + + Use ''--cfg hydra'' to Show the Hydra config. + + ' + hydra_help: ??? + hydra_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][HYDRA] %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + root: + level: INFO + handlers: + - console + loggers: + logging_example: + level: DEBUG + disable_existing_loggers: false + job_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][%(name)s][%(levelname)s] - %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + file: + class: logging.FileHandler + formatter: simple + filename: ${hydra.runtime.output_dir}/${hydra.job.name}.log + root: + level: INFO + handlers: + - console + - file + disable_existing_loggers: false + env: {} + mode: RUN + searchpath: [] + callbacks: {} + output_subdir: .hydra + overrides: + hydra: + - hydra.mode=RUN + task: + - inference.output_prefix=./ + - inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + - contigmap.contigs=[A46-291/0 150-150] + - ppi.hotspot_res=[A48,A64,A73,A74,A75,A76,A81,A92,A93,A94,A95,A97,A100,A102,A110,A129,A133,A134,A136,A137,A138,A142,A155,A158,A165,A166,A168,A169,A184,A189,A192,A193,A205,A206,A209,A212,A215,A222,A223,A225,A226,A227,A228,A229,A230,A234,A241,A251,A257,A258,A259,A260,A271,A275,A276] + - inference.output_prefix=testoutputs/binder_test + - inference.num_designs=1 + job: + name: run_inference + chdir: null + override_dirname: contigmap.contigs=[A46-291/0 150-150],inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb,inference.num_designs=1,inference.output_prefix=./,inference.output_prefix=testoutputs/binder_test,ppi.hotspot_res=[A48,A64,A73,A74,A75,A76,A81,A92,A93,A94,A95,A97,A100,A102,A110,A129,A133,A134,A136,A137,A138,A142,A155,A158,A165,A166,A168,A169,A184,A189,A192,A193,A205,A206,A209,A212,A215,A222,A223,A225,A226,A227,A228,A229,A230,A234,A241,A251,A257,A258,A259,A260,A271,A275,A276] + id: ??? + num: ??? + config_name: base + env_set: {} + env_copy: [] + config: + override_dirname: + kv_sep: '=' + item_sep: ',' + exclude_keys: [] + runtime: + version: 1.3.2 + version_base: '1.3' + cwd: C:\Users\adminisiterlator\RFdiffusion + config_sources: + - path: hydra.conf + schema: pkg + provider: hydra + - path: C:\Users\adminisiterlator\RFdiffusion\config\inference + schema: file + provider: main + - path: '' + schema: structured + provider: schema + output_dir: C:\Users\adminisiterlator\RFdiffusion\outputs\2023-09-23\20-30-29 + choices: + hydra/env: default + hydra/callbacks: null + hydra/job_logging: default + hydra/hydra_logging: default + hydra/hydra_help: default + hydra/help: default + hydra/sweeper: basic + hydra/launcher: basic + hydra/output: default + verbose: false diff --git a/RFdiffusion/outputs/2023-09-23/20-30-29/.hydra/overrides.yaml b/RFdiffusion/outputs/2023-09-23/20-30-29/.hydra/overrides.yaml new file mode 100644 index 0000000000000000000000000000000000000000..cb69f7c30b4fa42798fb64a66538224f46f5a45f --- /dev/null +++ b/RFdiffusion/outputs/2023-09-23/20-30-29/.hydra/overrides.yaml @@ -0,0 +1,6 @@ +- inference.output_prefix=./ +- inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb +- contigmap.contigs=[A46-291/0 150-150] +- ppi.hotspot_res=[A48,A64,A73,A74,A75,A76,A81,A92,A93,A94,A95,A97,A100,A102,A110,A129,A133,A134,A136,A137,A138,A142,A155,A158,A165,A166,A168,A169,A184,A189,A192,A193,A205,A206,A209,A212,A215,A222,A223,A225,A226,A227,A228,A229,A230,A234,A241,A251,A257,A258,A259,A260,A271,A275,A276] +- inference.output_prefix=testoutputs/binder_test +- inference.num_designs=1 diff --git a/RFdiffusion/outputs/2023-09-23/20-30-29/run_inference.log b/RFdiffusion/outputs/2023-09-23/20-30-29/run_inference.log new file mode 100644 index 0000000000000000000000000000000000000000..9eee21bb78789eaca4a1aaf989764f2db6910c8a --- /dev/null +++ b/RFdiffusion/outputs/2023-09-23/20-30-29/run_inference.log @@ -0,0 +1,106 @@ +[2023-09-23 20:30:29,346][__main__][INFO] - Found GPU with device_name NVIDIA GeForce RTX 2060. Will run RFdiffusion on NVIDIA GeForce RTX 2060 +[2023-09-23 20:30:29,347][rfdiffusion.inference.model_runners][INFO] - Reading checkpoint from C:\Users\adminisiterlator\RFdiffusion\rfdiffusion\inference/../../models/Complex_base_ckpt.pt +[2023-09-23 20:30:35,109][rfdiffusion.inference.model_runners][INFO] - Loading checkpoint. +[2023-09-23 20:30:42,496][rfdiffusion.diffusion][INFO] - Using cached IGSO3. +[2023-09-23 20:30:42,545][__main__][INFO] - Making design testoutputs/binder_test_0 +[2023-09-23 20:30:42,579][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A46-291/0 150-150'] +[2023-09-23 20:30:42,744][rfdiffusion.inference.model_runners][INFO] - Sequence init: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 20:31:00,762][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2023-09-23 20:31:00,786][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 20:31:10,065][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2023-09-23 20:31:10,075][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 20:31:19,411][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2023-09-23 20:31:19,421][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 20:31:29,742][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2023-09-23 20:31:29,751][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 20:31:41,546][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2023-09-23 20:31:41,555][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 20:31:53,380][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2023-09-23 20:31:53,398][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 20:32:05,227][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2023-09-23 20:32:05,233][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 20:32:18,580][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2023-09-23 20:32:18,588][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 20:32:31,420][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2023-09-23 20:32:31,432][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 20:32:44,389][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2023-09-23 20:32:44,400][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 20:32:59,114][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2023-09-23 20:32:59,126][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 20:33:14,166][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2023-09-23 20:33:14,175][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 20:33:29,168][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2023-09-23 20:33:29,178][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 20:33:44,726][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2023-09-23 20:33:44,736][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 20:34:00,004][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2023-09-23 20:34:00,016][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 20:34:15,227][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2023-09-23 20:34:15,237][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 20:34:30,411][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2023-09-23 20:34:30,420][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 20:34:45,887][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2023-09-23 20:34:45,906][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 20:35:01,055][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2023-09-23 20:35:01,063][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 20:35:16,055][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2023-09-23 20:35:16,066][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 20:35:31,095][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2023-09-23 20:35:31,105][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 20:35:46,155][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2023-09-23 20:35:46,166][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 20:36:01,223][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2023-09-23 20:36:01,235][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 20:36:16,291][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2023-09-23 20:36:16,299][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 20:36:31,294][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2023-09-23 20:36:31,305][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 20:36:46,394][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2023-09-23 20:36:46,414][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 20:37:01,505][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2023-09-23 20:37:01,521][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 20:37:16,577][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2023-09-23 20:37:16,587][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 20:37:31,594][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2023-09-23 20:37:31,604][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 20:37:46,624][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2023-09-23 20:37:46,633][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 20:38:01,608][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2023-09-23 20:38:01,616][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 20:38:16,494][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2023-09-23 20:38:16,504][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 20:38:31,398][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2023-09-23 20:38:31,411][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 20:38:46,210][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2023-09-23 20:38:46,219][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 20:39:01,049][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2023-09-23 20:39:01,066][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 20:39:15,908][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2023-09-23 20:39:15,917][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 20:39:30,676][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2023-09-23 20:39:30,684][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 20:39:45,315][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2023-09-23 20:39:45,324][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 20:39:59,904][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2023-09-23 20:39:59,912][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 20:40:14,574][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2023-09-23 20:40:14,582][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 20:40:29,168][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2023-09-23 20:40:29,176][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 20:40:43,765][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2023-09-23 20:40:43,774][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 20:40:58,395][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2023-09-23 20:40:58,406][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 20:41:13,032][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2023-09-23 20:41:13,044][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 20:41:27,650][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2023-09-23 20:41:27,659][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 20:41:42,205][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2023-09-23 20:41:42,215][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 20:41:56,694][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2023-09-23 20:41:56,704][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 20:42:11,156][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2023-09-23 20:42:11,165][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 20:42:25,706][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2023-09-23 20:42:25,718][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 20:42:58,268][__main__][INFO] - Finished design in 12.26 minutes diff --git a/RFdiffusion/outputs/2023-09-23/20-49-36/.hydra/config.yaml b/RFdiffusion/outputs/2023-09-23/20-49-36/.hydra/config.yaml new file mode 100644 index 0000000000000000000000000000000000000000..9e148273ca9d60b23b5665d4347cbcc3d92c9173 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-23/20-49-36/.hydra/config.yaml @@ -0,0 +1,125 @@ +inference: + input_pdb: null + num_designs: 4 + design_startnum: 0 + ckpt_override_path: null + symmetry: null + recenter: true + radius: 10.0 + model_only_neighbors: false + output_prefix: testoutputs/randomtest + write_trajectory: true + scaffold_guided: false + model_runner: SelfConditioning + cautious: true + align_motif: true + symmetric_self_cond: true + final_step: 1 + deterministic: false + trb_save_ckpt_path: null + schedule_directory_path: null + model_directory_path: null +contigmap: + contigs: + - 150-150 + inpaint_seq: null + provide_seq: null + length: null +model: + n_extra_block: 4 + n_main_block: 32 + n_ref_block: 4 + d_msa: 256 + d_msa_full: 64 + d_pair: 128 + d_templ: 64 + n_head_msa: 8 + n_head_pair: 4 + n_head_templ: 4 + d_hidden: 32 + d_hidden_templ: 32 + p_drop: 0.15 + SE3_param_full: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 8 + l0_out_features: 8 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 32 + SE3_param_topk: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 64 + l0_out_features: 64 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 64 + freeze_track_motif: false + use_motif_timestep: false +diffuser: + T: 50 + b_0: 0.01 + b_T: 0.07 + schedule_type: linear + so3_type: igso3 + crd_scale: 0.25 + partial_T: null + so3_schedule_type: linear + min_b: 1.5 + max_b: 2.5 + min_sigma: 0.02 + max_sigma: 1.5 +denoiser: + noise_scale_ca: 1 + final_noise_scale_ca: 1 + ca_noise_schedule_type: constant + noise_scale_frame: 1 + final_noise_scale_frame: 1 + frame_noise_schedule_type: constant +ppi: + hotspot_res: null +potentials: + guiding_potentials: null + guide_scale: 10 + guide_decay: constant + olig_inter_all: null + olig_intra_all: null + olig_custom_contact: null + substrate: null +contig_settings: + ref_idx: null + hal_idx: null + idx_rf: null + inpaint_seq_tensor: null +preprocess: + sidechain_input: false + motif_sidechain_input: true + d_t1d: 22 + d_t2d: 44 + prob_self_cond: 0.0 + str_self_cond: false + predict_previous: false +logging: + inputs: false +scaffoldguided: + scaffoldguided: false + target_pdb: false + target_path: null + scaffold_list: null + scaffold_dir: null + sampled_insertion: 0 + sampled_N: 0 + sampled_C: 0 + ss_mask: 0 + systematic: false + target_ss: null + target_adj: null + mask_loops: true + contig_crop: null diff --git a/RFdiffusion/outputs/2023-09-23/20-49-36/.hydra/hydra.yaml b/RFdiffusion/outputs/2023-09-23/20-49-36/.hydra/hydra.yaml new file mode 100644 index 0000000000000000000000000000000000000000..86f9482598e05aa668ad9d32c9af62b0336c2003 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-23/20-49-36/.hydra/hydra.yaml @@ -0,0 +1,157 @@ +hydra: + run: + dir: outputs/${now:%Y-%m-%d}/${now:%H-%M-%S} + sweep: + dir: multirun/${now:%Y-%m-%d}/${now:%H-%M-%S} + subdir: ${hydra.job.num} + launcher: + _target_: hydra._internal.core_plugins.basic_launcher.BasicLauncher + sweeper: + _target_: hydra._internal.core_plugins.basic_sweeper.BasicSweeper + max_batch_size: null + params: null + help: + app_name: ${hydra.job.name} + header: '${hydra.help.app_name} is powered by Hydra. + + ' + footer: 'Powered by Hydra (https://hydra.cc) + + Use --hydra-help to view Hydra specific help + + ' + template: '${hydra.help.header} + + == Configuration groups == + + Compose your configuration from those groups (group=option) + + + $APP_CONFIG_GROUPS + + + == Config == + + Override anything in the config (foo.bar=value) + + + $CONFIG + + + ${hydra.help.footer} + + ' + hydra_help: + template: 'Hydra (${hydra.runtime.version}) + + See https://hydra.cc for more info. + + + == Flags == + + $FLAGS_HELP + + + == Configuration groups == + + Compose your configuration from those groups (For example, append hydra/job_logging=disabled + to command line) + + + $HYDRA_CONFIG_GROUPS + + + Use ''--cfg hydra'' to Show the Hydra config. + + ' + hydra_help: ??? + hydra_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][HYDRA] %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + root: + level: INFO + handlers: + - console + loggers: + logging_example: + level: DEBUG + disable_existing_loggers: false + job_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][%(name)s][%(levelname)s] - %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + file: + class: logging.FileHandler + formatter: simple + filename: ${hydra.runtime.output_dir}/${hydra.job.name}.log + root: + level: INFO + handlers: + - console + - file + disable_existing_loggers: false + env: {} + mode: RUN + searchpath: [] + callbacks: {} + output_subdir: .hydra + overrides: + hydra: + - hydra.mode=RUN + task: + - contigmap.contigs=[150-150] + - inference.output_prefix=testoutputs/randomtest + - inference.num_designs=4 + job: + name: run_inference + chdir: null + override_dirname: contigmap.contigs=[150-150],inference.num_designs=4,inference.output_prefix=testoutputs/randomtest + id: ??? + num: ??? + config_name: base + env_set: {} + env_copy: [] + config: + override_dirname: + kv_sep: '=' + item_sep: ',' + exclude_keys: [] + runtime: + version: 1.3.2 + version_base: '1.3' + cwd: C:\Users\adminisiterlator\RFdiffusion + config_sources: + - path: hydra.conf + schema: pkg + provider: hydra + - path: C:\Users\adminisiterlator\RFdiffusion\config\inference + schema: file + provider: main + - path: '' + schema: structured + provider: schema + output_dir: C:\Users\adminisiterlator\RFdiffusion\outputs\2023-09-23\20-49-36 + choices: + hydra/env: default + hydra/callbacks: null + hydra/job_logging: default + hydra/hydra_logging: default + hydra/hydra_help: default + hydra/help: default + hydra/sweeper: basic + hydra/launcher: basic + hydra/output: default + verbose: false diff --git a/RFdiffusion/outputs/2023-09-23/20-49-36/.hydra/overrides.yaml b/RFdiffusion/outputs/2023-09-23/20-49-36/.hydra/overrides.yaml new file mode 100644 index 0000000000000000000000000000000000000000..0f9370c60768e1393236821e9ef7c93fe4853395 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-23/20-49-36/.hydra/overrides.yaml @@ -0,0 +1,3 @@ +- contigmap.contigs=[150-150] +- inference.output_prefix=testoutputs/randomtest +- inference.num_designs=4 diff --git a/RFdiffusion/outputs/2023-09-23/20-49-36/run_inference.log b/RFdiffusion/outputs/2023-09-23/20-49-36/run_inference.log new file mode 100644 index 0000000000000000000000000000000000000000..154cfd5ab86c1d03f5c5df521eacc269e17a1c73 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-23/20-49-36/run_inference.log @@ -0,0 +1,216 @@ +[2023-09-23 20:49:36,544][__main__][INFO] - Found GPU with device_name NVIDIA GeForce RTX 2060. Will run RFdiffusion on NVIDIA GeForce RTX 2060 +[2023-09-23 20:49:36,545][rfdiffusion.inference.model_runners][INFO] - Reading checkpoint from C:\Users\adminisiterlator\RFdiffusion\rfdiffusion\inference/../../models/Base_ckpt.pt +[2023-09-23 20:49:42,690][rfdiffusion.inference.model_runners][INFO] - Loading checkpoint. +[2023-09-23 20:49:51,309][rfdiffusion.diffusion][INFO] - Using cached IGSO3. +[2023-09-23 20:49:51,330][__main__][INFO] - Making design testoutputs/randomtest_0 +[2023-09-23 20:49:51,338][rfdiffusion.inference.model_runners][INFO] - Using contig: ['150-150'] +[2023-09-23 20:49:51,387][rfdiffusion.inference.model_runners][INFO] - Sequence init: ------------------------------------------------------------------------------------------------------------------------------------------------------ +[2023-09-23 20:50:01,452][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------ +[2023-09-23 20:50:03,157][rfdiffusion.inference.model_runners][INFO] - 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Making design testoutputs/randomtest_1 +[2023-09-23 20:51:36,271][rfdiffusion.inference.model_runners][INFO] - Using contig: ['150-150'] +[2023-09-23 20:51:36,324][rfdiffusion.inference.model_runners][INFO] - Sequence init: ------------------------------------------------------------------------------------------------------------------------------------------------------ +[2023-09-23 20:51:38,210][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------ +[2023-09-23 20:51:40,128][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------ +[2023-09-23 20:51:42,116][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------ +[2023-09-23 20:51:44,131][rfdiffusion.inference.model_runners][INFO] - 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A46-291/0 150-150 + inpaint_seq: null + provide_seq: null + length: null +model: + n_extra_block: 4 + n_main_block: 32 + n_ref_block: 4 + d_msa: 256 + d_msa_full: 64 + d_pair: 128 + d_templ: 64 + n_head_msa: 8 + n_head_pair: 4 + n_head_templ: 4 + d_hidden: 32 + d_hidden_templ: 32 + p_drop: 0.15 + SE3_param_full: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 8 + l0_out_features: 8 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 32 + SE3_param_topk: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 64 + l0_out_features: 64 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 64 + freeze_track_motif: false + use_motif_timestep: false +diffuser: + T: 50 + b_0: 0.01 + b_T: 0.07 + schedule_type: linear + so3_type: igso3 + crd_scale: 0.25 + partial_T: null + so3_schedule_type: linear + min_b: 1.5 + max_b: 2.5 + min_sigma: 0.02 + max_sigma: 1.5 +denoiser: + noise_scale_ca: 1 + final_noise_scale_ca: 1 + ca_noise_schedule_type: constant + noise_scale_frame: 1 + final_noise_scale_frame: 1 + frame_noise_schedule_type: constant +ppi: + hotspot_res: + - A48 + - A64 + - A73 + - A74 + - A75 + - A76 + - A81 + - A92 + - A93 + - A94 + - A95 + - A97 + - A100 + - A102 + - A110 + - A129 + - A133 + - A134 + - A136 + - A137 + - A138 + - A142 + - A155 + - A158 + - A165 + - A166 + - A168 + - A169 + - A184 + - A189 + - A192 + - A193 + - A205 + - A206 + - A209 + - A212 + - A215 + - A222 + - A223 + - A225 + - A226 + - A227 + - A228 + - A229 + - A230 + - A234 + - A241 + - A251 + - A257 + - A258 + - A259 + - A260 + - A271 + - A275 + - A276 +potentials: + guiding_potentials: null + guide_scale: 10 + guide_decay: constant + olig_inter_all: null + olig_intra_all: null + olig_custom_contact: null + substrate: null +contig_settings: + ref_idx: null + hal_idx: null + idx_rf: null + inpaint_seq_tensor: null +preprocess: + sidechain_input: false + motif_sidechain_input: true + d_t1d: 22 + d_t2d: 44 + prob_self_cond: 0.0 + str_self_cond: false + predict_previous: false +logging: + inputs: false +scaffoldguided: + scaffoldguided: false + target_pdb: false + target_path: null + scaffold_list: null + scaffold_dir: null + sampled_insertion: 0 + sampled_N: 0 + sampled_C: 0 + ss_mask: 0 + systematic: false + target_ss: null + target_adj: null + mask_loops: true + contig_crop: null diff --git a/RFdiffusion/outputs/2023-09-23/22-18-25/.hydra/hydra.yaml b/RFdiffusion/outputs/2023-09-23/22-18-25/.hydra/hydra.yaml new file mode 100644 index 0000000000000000000000000000000000000000..6aa6ffea35e0159370774a4b5d99bb19956643ce --- /dev/null +++ b/RFdiffusion/outputs/2023-09-23/22-18-25/.hydra/hydra.yaml @@ -0,0 +1,160 @@ +hydra: + run: + dir: outputs/${now:%Y-%m-%d}/${now:%H-%M-%S} + sweep: + dir: multirun/${now:%Y-%m-%d}/${now:%H-%M-%S} + subdir: ${hydra.job.num} + launcher: + _target_: hydra._internal.core_plugins.basic_launcher.BasicLauncher + sweeper: + _target_: hydra._internal.core_plugins.basic_sweeper.BasicSweeper + max_batch_size: null + params: null + help: + app_name: ${hydra.job.name} + header: '${hydra.help.app_name} is powered by Hydra. + + ' + footer: 'Powered by Hydra (https://hydra.cc) + + Use --hydra-help to view Hydra specific help + + ' + template: '${hydra.help.header} + + == Configuration groups == + + Compose your configuration from those groups (group=option) + + + $APP_CONFIG_GROUPS + + + == Config == + + Override anything in the config (foo.bar=value) + + + $CONFIG + + + ${hydra.help.footer} + + ' + hydra_help: + template: 'Hydra (${hydra.runtime.version}) + + See https://hydra.cc for more info. + + + == Flags == + + $FLAGS_HELP + + + == Configuration groups == + + Compose your configuration from those groups (For example, append hydra/job_logging=disabled + to command line) + + + $HYDRA_CONFIG_GROUPS + + + Use ''--cfg hydra'' to Show the Hydra config. + + ' + hydra_help: ??? + hydra_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][HYDRA] %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + root: + level: INFO + handlers: + - console + loggers: + logging_example: + level: DEBUG + disable_existing_loggers: false + job_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][%(name)s][%(levelname)s] - %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + file: + class: logging.FileHandler + formatter: simple + filename: ${hydra.runtime.output_dir}/${hydra.job.name}.log + root: + level: INFO + handlers: + - console + - file + disable_existing_loggers: false + env: {} + mode: RUN + searchpath: [] + callbacks: {} + output_subdir: .hydra + overrides: + hydra: + - hydra.mode=RUN + task: + - inference.output_prefix=./ + - inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + - contigmap.contigs=[A46-291/0 150-150] + - ppi.hotspot_res=[A48,A64,A73,A74,A75,A76,A81,A92,A93,A94,A95,A97,A100,A102,A110,A129,A133,A134,A136,A137,A138,A142,A155,A158,A165,A166,A168,A169,A184,A189,A192,A193,A205,A206,A209,A212,A215,A222,A223,A225,A226,A227,A228,A229,A230,A234,A241,A251,A257,A258,A259,A260,A271,A275,A276] + - inference.output_prefix=testoutputs/binder_test + - inference.num_designs=1 + job: + name: run_inference + chdir: null + override_dirname: contigmap.contigs=[A46-291/0 150-150],inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb,inference.num_designs=1,inference.output_prefix=./,inference.output_prefix=testoutputs/binder_test,ppi.hotspot_res=[A48,A64,A73,A74,A75,A76,A81,A92,A93,A94,A95,A97,A100,A102,A110,A129,A133,A134,A136,A137,A138,A142,A155,A158,A165,A166,A168,A169,A184,A189,A192,A193,A205,A206,A209,A212,A215,A222,A223,A225,A226,A227,A228,A229,A230,A234,A241,A251,A257,A258,A259,A260,A271,A275,A276] + id: ??? + num: ??? + config_name: base + env_set: {} + env_copy: [] + config: + override_dirname: + kv_sep: '=' + item_sep: ',' + exclude_keys: [] + runtime: + version: 1.3.2 + version_base: '1.3' + cwd: C:\Users\adminisiterlator\RFdiffusion + config_sources: + - path: hydra.conf + schema: pkg + provider: hydra + - path: C:\Users\adminisiterlator\RFdiffusion\config\inference + schema: file + provider: main + - path: '' + schema: structured + provider: schema + output_dir: C:\Users\adminisiterlator\RFdiffusion\outputs\2023-09-23\22-18-25 + choices: + hydra/env: default + hydra/callbacks: null + hydra/job_logging: default + hydra/hydra_logging: default + hydra/hydra_help: default + hydra/help: default + hydra/sweeper: basic + hydra/launcher: basic + hydra/output: default + verbose: false diff --git a/RFdiffusion/outputs/2023-09-23/22-18-25/.hydra/overrides.yaml b/RFdiffusion/outputs/2023-09-23/22-18-25/.hydra/overrides.yaml new file mode 100644 index 0000000000000000000000000000000000000000..cb69f7c30b4fa42798fb64a66538224f46f5a45f --- /dev/null +++ b/RFdiffusion/outputs/2023-09-23/22-18-25/.hydra/overrides.yaml @@ -0,0 +1,6 @@ +- inference.output_prefix=./ +- inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb +- contigmap.contigs=[A46-291/0 150-150] +- ppi.hotspot_res=[A48,A64,A73,A74,A75,A76,A81,A92,A93,A94,A95,A97,A100,A102,A110,A129,A133,A134,A136,A137,A138,A142,A155,A158,A165,A166,A168,A169,A184,A189,A192,A193,A205,A206,A209,A212,A215,A222,A223,A225,A226,A227,A228,A229,A230,A234,A241,A251,A257,A258,A259,A260,A271,A275,A276] +- inference.output_prefix=testoutputs/binder_test +- inference.num_designs=1 diff --git a/RFdiffusion/outputs/2023-09-23/22-18-25/run_inference.log b/RFdiffusion/outputs/2023-09-23/22-18-25/run_inference.log new file mode 100644 index 0000000000000000000000000000000000000000..2dc758ba518f46ec6ce543ea150e20a47252fbb8 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-23/22-18-25/run_inference.log @@ -0,0 +1,106 @@ +[2023-09-23 22:18:25,176][__main__][INFO] - Found GPU with device_name NVIDIA GeForce RTX 2060. Will run RFdiffusion on NVIDIA GeForce RTX 2060 +[2023-09-23 22:18:25,178][rfdiffusion.inference.model_runners][INFO] - Reading checkpoint from C:\Users\adminisiterlator\RFdiffusion\rfdiffusion\inference/../../models/Complex_base_ckpt.pt +[2023-09-23 22:18:31,289][rfdiffusion.inference.model_runners][INFO] - Loading checkpoint. +[2023-09-23 22:18:38,778][rfdiffusion.diffusion][INFO] - Using cached IGSO3. +[2023-09-23 22:18:38,846][__main__][INFO] - Making design testoutputs/binder_test_0 +[2023-09-23 22:18:38,881][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A46-291/0 150-150'] +[2023-09-23 22:18:38,970][rfdiffusion.inference.model_runners][INFO] - Sequence init: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 22:18:55,827][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2023-09-23 22:18:55,835][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 22:19:05,300][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2023-09-23 22:19:05,307][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 22:19:15,593][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2023-09-23 22:19:15,622][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 22:19:27,266][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2023-09-23 22:19:27,278][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 22:19:39,847][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2023-09-23 22:19:39,856][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 22:19:53,749][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2023-09-23 22:19:53,758][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 22:20:07,446][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2023-09-23 22:20:07,456][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 22:20:21,192][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2023-09-23 22:20:21,202][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 22:20:36,185][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2023-09-23 22:20:36,194][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 22:20:51,551][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2023-09-23 22:20:51,564][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 22:21:06,475][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2023-09-23 22:21:06,485][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 22:21:22,460][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2023-09-23 22:21:22,470][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 22:21:37,187][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2023-09-23 22:21:37,196][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 22:21:52,564][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2023-09-23 22:21:52,573][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 22:22:07,600][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2023-09-23 22:22:07,611][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 22:22:22,493][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2023-09-23 22:22:22,500][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 22:22:37,364][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2023-09-23 22:22:37,372][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 22:22:52,280][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2023-09-23 22:22:52,289][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 22:23:07,132][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2023-09-23 22:23:07,141][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 22:23:22,027][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2023-09-23 22:23:22,039][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 22:23:36,857][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2023-09-23 22:23:36,865][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 22:23:51,587][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2023-09-23 22:23:51,596][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 22:24:06,333][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2023-09-23 22:24:06,343][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 22:24:21,054][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2023-09-23 22:24:21,061][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 22:24:35,717][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2023-09-23 22:24:35,726][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 22:24:50,362][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2023-09-23 22:24:50,371][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 22:25:05,160][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2023-09-23 22:25:05,171][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 22:25:20,104][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2023-09-23 22:25:20,113][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 22:25:35,032][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2023-09-23 22:25:35,042][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 22:25:49,951][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2023-09-23 22:25:49,959][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 22:26:04,848][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2023-09-23 22:26:04,857][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 22:26:19,686][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2023-09-23 22:26:19,694][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 22:26:34,652][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2023-09-23 22:26:34,661][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 22:26:49,502][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2023-09-23 22:26:49,509][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 22:27:04,343][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2023-09-23 22:27:04,353][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 22:27:19,152][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2023-09-23 22:27:19,159][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 22:27:34,018][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2023-09-23 22:27:34,026][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 22:27:48,886][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2023-09-23 22:27:48,898][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 22:28:03,818][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2023-09-23 22:28:03,826][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 22:28:18,731][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2023-09-23 22:28:18,740][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 22:28:33,584][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2023-09-23 22:28:33,596][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 22:28:48,441][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2023-09-23 22:28:48,448][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 22:29:03,382][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2023-09-23 22:29:03,398][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 22:29:18,196][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2023-09-23 22:29:18,205][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 22:29:33,045][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2023-09-23 22:29:33,055][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 22:29:47,874][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2023-09-23 22:29:47,881][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 22:30:02,767][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2023-09-23 22:30:02,776][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 22:30:17,545][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2023-09-23 22:30:17,554][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 22:30:32,392][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2023-09-23 22:30:32,402][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 22:31:05,009][__main__][INFO] - Finished design in 12.44 minutes diff --git a/RFdiffusion/outputs/2023-09-23/23-46-57/.hydra/config.yaml b/RFdiffusion/outputs/2023-09-23/23-46-57/.hydra/config.yaml new file mode 100644 index 0000000000000000000000000000000000000000..a2ac4fbd5d522659c86729e787eb8356ee9246ae --- /dev/null +++ b/RFdiffusion/outputs/2023-09-23/23-46-57/.hydra/config.yaml @@ -0,0 +1,180 @@ +inference: + input_pdb: C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + num_designs: 3 + design_startnum: 0 + ckpt_override_path: null + symmetry: null + recenter: true + radius: 10.0 + model_only_neighbors: false + output_prefix: testoutputs/binder_test + write_trajectory: true + scaffold_guided: false + model_runner: SelfConditioning + cautious: true + align_motif: true + symmetric_self_cond: true + final_step: 1 + deterministic: false + trb_save_ckpt_path: null + schedule_directory_path: null + model_directory_path: null +contigmap: + contigs: + - A46-291/0 150-150 + inpaint_seq: null + provide_seq: null + length: null +model: + n_extra_block: 4 + n_main_block: 32 + n_ref_block: 4 + d_msa: 256 + d_msa_full: 64 + d_pair: 128 + d_templ: 64 + n_head_msa: 8 + n_head_pair: 4 + n_head_templ: 4 + d_hidden: 32 + d_hidden_templ: 32 + p_drop: 0.15 + SE3_param_full: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 8 + l0_out_features: 8 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 32 + SE3_param_topk: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 64 + l0_out_features: 64 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 64 + freeze_track_motif: false + use_motif_timestep: false +diffuser: + T: 50 + b_0: 0.01 + b_T: 0.07 + schedule_type: linear + so3_type: igso3 + crd_scale: 0.25 + partial_T: null + so3_schedule_type: linear + min_b: 1.5 + max_b: 2.5 + min_sigma: 0.02 + max_sigma: 1.5 +denoiser: + noise_scale_ca: 1 + final_noise_scale_ca: 1 + ca_noise_schedule_type: constant + noise_scale_frame: 1 + final_noise_scale_frame: 1 + frame_noise_schedule_type: constant +ppi: + hotspot_res: + - A48 + - A64 + - A73 + - A74 + - A75 + - A76 + - A81 + - A92 + - A93 + - A94 + - A95 + - A97 + - A100 + - A102 + - A110 + - A129 + - A133 + - A134 + - A136 + - A137 + - A138 + - A142 + - A155 + - A158 + - A165 + - A166 + - A168 + - A169 + - A184 + - A189 + - A192 + - A193 + - A205 + - A206 + - A209 + - A212 + - A215 + - A222 + - A223 + - A225 + - A226 + - A227 + - A228 + - A229 + - A230 + - A234 + - A241 + - A251 + - A257 + - A258 + - A259 + - A260 + - A271 + - A275 + - A276 +potentials: + guiding_potentials: null + guide_scale: 10 + guide_decay: constant + olig_inter_all: null + olig_intra_all: null + olig_custom_contact: null + substrate: null +contig_settings: + ref_idx: null + hal_idx: null + idx_rf: null + inpaint_seq_tensor: null +preprocess: + sidechain_input: false + motif_sidechain_input: true + d_t1d: 22 + d_t2d: 44 + prob_self_cond: 0.0 + str_self_cond: false + predict_previous: false +logging: + inputs: false +scaffoldguided: + scaffoldguided: false + target_pdb: false + target_path: null + scaffold_list: null + scaffold_dir: null + sampled_insertion: 0 + sampled_N: 0 + sampled_C: 0 + ss_mask: 0 + systematic: false + target_ss: null + target_adj: null + mask_loops: true + contig_crop: null diff --git a/RFdiffusion/outputs/2023-09-23/23-46-57/.hydra/hydra.yaml b/RFdiffusion/outputs/2023-09-23/23-46-57/.hydra/hydra.yaml new file mode 100644 index 0000000000000000000000000000000000000000..2602538fc5a59afee5f04891dc1bbb0e75ddb57b --- /dev/null +++ b/RFdiffusion/outputs/2023-09-23/23-46-57/.hydra/hydra.yaml @@ -0,0 +1,160 @@ +hydra: + run: + dir: outputs/${now:%Y-%m-%d}/${now:%H-%M-%S} + sweep: + dir: multirun/${now:%Y-%m-%d}/${now:%H-%M-%S} + subdir: ${hydra.job.num} + launcher: + _target_: hydra._internal.core_plugins.basic_launcher.BasicLauncher + sweeper: + _target_: hydra._internal.core_plugins.basic_sweeper.BasicSweeper + max_batch_size: null + params: null + help: + app_name: ${hydra.job.name} + header: '${hydra.help.app_name} is powered by Hydra. + + ' + footer: 'Powered by Hydra (https://hydra.cc) + + Use --hydra-help to view Hydra specific help + + ' + template: '${hydra.help.header} + + == Configuration groups == + + Compose your configuration from those groups (group=option) + + + $APP_CONFIG_GROUPS + + + == Config == + + Override anything in the config (foo.bar=value) + + + $CONFIG + + + ${hydra.help.footer} + + ' + hydra_help: + template: 'Hydra (${hydra.runtime.version}) + + See https://hydra.cc for more info. + + + == Flags == + + $FLAGS_HELP + + + == Configuration groups == + + Compose your configuration from those groups (For example, append hydra/job_logging=disabled + to command line) + + + $HYDRA_CONFIG_GROUPS + + + Use ''--cfg hydra'' to Show the Hydra config. + + ' + hydra_help: ??? + hydra_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][HYDRA] %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + root: + level: INFO + handlers: + - console + loggers: + logging_example: + level: DEBUG + disable_existing_loggers: false + job_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][%(name)s][%(levelname)s] - %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + file: + class: logging.FileHandler + formatter: simple + filename: ${hydra.runtime.output_dir}/${hydra.job.name}.log + root: + level: INFO + handlers: + - console + - file + disable_existing_loggers: false + env: {} + mode: RUN + searchpath: [] + callbacks: {} + output_subdir: .hydra + overrides: + hydra: + - hydra.mode=RUN + task: + - inference.output_prefix=./ + - inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + - contigmap.contigs=[A46-291/0 150-150] + - ppi.hotspot_res=[A48,A64,A73,A74,A75,A76,A81,A92,A93,A94,A95,A97,A100,A102,A110,A129,A133,A134,A136,A137,A138,A142,A155,A158,A165,A166,A168,A169,A184,A189,A192,A193,A205,A206,A209,A212,A215,A222,A223,A225,A226,A227,A228,A229,A230,A234,A241,A251,A257,A258,A259,A260,A271,A275,A276] + - inference.output_prefix=testoutputs/binder_test + - inference.num_designs=3 + job: + name: run_inference + chdir: null + override_dirname: contigmap.contigs=[A46-291/0 150-150],inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb,inference.num_designs=3,inference.output_prefix=./,inference.output_prefix=testoutputs/binder_test,ppi.hotspot_res=[A48,A64,A73,A74,A75,A76,A81,A92,A93,A94,A95,A97,A100,A102,A110,A129,A133,A134,A136,A137,A138,A142,A155,A158,A165,A166,A168,A169,A184,A189,A192,A193,A205,A206,A209,A212,A215,A222,A223,A225,A226,A227,A228,A229,A230,A234,A241,A251,A257,A258,A259,A260,A271,A275,A276] + id: ??? + num: ??? + config_name: base + env_set: {} + env_copy: [] + config: + override_dirname: + kv_sep: '=' + item_sep: ',' + exclude_keys: [] + runtime: + version: 1.3.2 + version_base: '1.3' + cwd: C:\Users\adminisiterlator\RFdiffusion + config_sources: + - path: hydra.conf + schema: pkg + provider: hydra + - path: C:\Users\adminisiterlator\RFdiffusion\config\inference + schema: file + provider: main + - path: '' + schema: structured + provider: schema + output_dir: C:\Users\adminisiterlator\RFdiffusion\outputs\2023-09-23\23-46-57 + choices: + hydra/env: default + hydra/callbacks: null + hydra/job_logging: default + hydra/hydra_logging: default + hydra/hydra_help: default + hydra/help: default + hydra/sweeper: basic + hydra/launcher: basic + hydra/output: default + verbose: false diff --git a/RFdiffusion/outputs/2023-09-23/23-46-57/.hydra/overrides.yaml b/RFdiffusion/outputs/2023-09-23/23-46-57/.hydra/overrides.yaml new file mode 100644 index 0000000000000000000000000000000000000000..b7c03c4051d5b196a78305e4cee1475e972ffef9 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-23/23-46-57/.hydra/overrides.yaml @@ -0,0 +1,6 @@ +- inference.output_prefix=./ +- inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb +- contigmap.contigs=[A46-291/0 150-150] +- ppi.hotspot_res=[A48,A64,A73,A74,A75,A76,A81,A92,A93,A94,A95,A97,A100,A102,A110,A129,A133,A134,A136,A137,A138,A142,A155,A158,A165,A166,A168,A169,A184,A189,A192,A193,A205,A206,A209,A212,A215,A222,A223,A225,A226,A227,A228,A229,A230,A234,A241,A251,A257,A258,A259,A260,A271,A275,A276] +- inference.output_prefix=testoutputs/binder_test +- inference.num_designs=3 diff --git a/RFdiffusion/outputs/2023-09-23/23-46-57/run_inference.log b/RFdiffusion/outputs/2023-09-23/23-46-57/run_inference.log new file mode 100644 index 0000000000000000000000000000000000000000..047fd4b238d3f87da91d8b20ceb96305165b5840 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-23/23-46-57/run_inference.log @@ -0,0 +1,103 @@ +[2023-09-23 23:46:57,365][__main__][INFO] - Found GPU with device_name NVIDIA GeForce RTX 2060. Will run RFdiffusion on NVIDIA GeForce RTX 2060 +[2023-09-23 23:47:01,825][rfdiffusion.inference.model_runners][INFO] - Reading checkpoint from C:\Users\adminisiterlator\RFdiffusion\rfdiffusion\inference/../../models/Complex_base_ckpt.pt +[2023-09-23 23:47:08,476][rfdiffusion.inference.model_runners][INFO] - Loading checkpoint. +[2023-09-23 23:47:17,603][rfdiffusion.diffusion][INFO] - Using cached IGSO3. +[2023-09-23 23:47:17,657][__main__][INFO] - Making design testoutputs/binder_test_0 +[2023-09-23 23:47:17,699][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A46-291/0 150-150'] +[2023-09-23 23:47:17,847][rfdiffusion.inference.model_runners][INFO] - Sequence init: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 23:48:03,097][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2023-09-23 23:48:03,125][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 23:48:38,259][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2023-09-23 23:48:38,269][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 23:49:13,366][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2023-09-23 23:49:13,374][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 23:49:48,443][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2023-09-23 23:49:48,450][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 23:50:23,519][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2023-09-23 23:50:23,530][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 23:50:59,415][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2023-09-23 23:50:59,423][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 23:51:34,456][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2023-09-23 23:51:34,464][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 23:52:10,229][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2023-09-23 23:52:10,236][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 23:52:46,004][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2023-09-23 23:52:46,013][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 23:53:21,825][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2023-09-23 23:53:21,832][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 23:53:56,895][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2023-09-23 23:53:56,901][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 23:54:32,712][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2023-09-23 23:54:32,717][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 23:55:08,516][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2023-09-23 23:55:08,523][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 23:55:44,296][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2023-09-23 23:55:44,304][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 23:56:20,829][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2023-09-23 23:56:20,836][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 23:56:57,238][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2023-09-23 23:56:57,245][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 23:57:33,660][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2023-09-23 23:57:33,666][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 23:58:10,022][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2023-09-23 23:58:10,030][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 23:58:46,391][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2023-09-23 23:58:46,397][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 23:59:22,905][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2023-09-23 23:59:22,917][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-23 23:59:59,465][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2023-09-23 23:59:59,472][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-24 00:00:35,878][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2023-09-24 00:00:35,883][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-24 00:01:12,276][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2023-09-24 00:01:12,282][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-24 00:01:48,941][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2023-09-24 00:01:48,947][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-24 00:02:25,355][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2023-09-24 00:02:25,361][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-24 00:03:01,764][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2023-09-24 00:03:01,771][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-24 00:03:38,164][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2023-09-24 00:03:38,172][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-24 00:04:14,576][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2023-09-24 00:04:14,584][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-24 00:04:51,062][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2023-09-24 00:04:51,069][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-24 00:05:27,441][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2023-09-24 00:05:27,457][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-24 00:06:03,865][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2023-09-24 00:06:03,875][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-24 00:06:40,270][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2023-09-24 00:06:40,279][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-24 00:07:16,686][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2023-09-24 00:07:16,703][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-24 00:07:53,426][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2023-09-24 00:07:53,440][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-24 00:08:29,798][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2023-09-24 00:08:29,813][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-24 00:09:06,181][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2023-09-24 00:09:06,196][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-24 00:09:42,527][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2023-09-24 00:09:42,535][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-24 00:10:18,946][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2023-09-24 00:10:18,955][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-24 00:10:55,306][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2023-09-24 00:10:55,323][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-24 00:11:31,699][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2023-09-24 00:11:31,714][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-24 00:12:08,064][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2023-09-24 00:12:08,071][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-24 00:12:44,414][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2023-09-24 00:12:44,429][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-24 00:13:21,063][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2023-09-24 00:13:21,071][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-24 00:13:57,949][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2023-09-24 00:13:57,962][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-24 00:14:34,343][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2023-09-24 00:14:34,360][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-24 12:36:24,035][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2023-09-24 12:36:24,136][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-24 12:36:32,388][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2023-09-24 12:36:32,393][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-24 12:36:40,954][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2023-09-24 12:36:40,959][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL diff --git a/RFdiffusion/outputs/2023-09-24/12-38-24/.hydra/config.yaml b/RFdiffusion/outputs/2023-09-24/12-38-24/.hydra/config.yaml new file mode 100644 index 0000000000000000000000000000000000000000..b0c3f9e70b64c0fa44d014a91a41a40361673a1a --- /dev/null +++ b/RFdiffusion/outputs/2023-09-24/12-38-24/.hydra/config.yaml @@ -0,0 +1,180 @@ +inference: + input_pdb: C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + num_designs: 1 + design_startnum: 0 + ckpt_override_path: null + symmetry: null + recenter: true + radius: 10.0 + model_only_neighbors: false + output_prefix: testoutputs/binder_test + write_trajectory: true + scaffold_guided: false + model_runner: SelfConditioning + cautious: true + align_motif: true + symmetric_self_cond: true + final_step: 1 + deterministic: false + trb_save_ckpt_path: null + schedule_directory_path: null + model_directory_path: null +contigmap: + contigs: + - A46-291/0 400-400 + inpaint_seq: null + provide_seq: null + length: null +model: + n_extra_block: 4 + n_main_block: 32 + n_ref_block: 4 + d_msa: 256 + d_msa_full: 64 + d_pair: 128 + d_templ: 64 + n_head_msa: 8 + n_head_pair: 4 + n_head_templ: 4 + d_hidden: 32 + d_hidden_templ: 32 + p_drop: 0.15 + SE3_param_full: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 8 + l0_out_features: 8 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 32 + SE3_param_topk: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 64 + l0_out_features: 64 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 64 + freeze_track_motif: false + use_motif_timestep: false +diffuser: + T: 50 + b_0: 0.01 + b_T: 0.07 + schedule_type: linear + so3_type: igso3 + crd_scale: 0.25 + partial_T: null + so3_schedule_type: linear + min_b: 1.5 + max_b: 2.5 + min_sigma: 0.02 + max_sigma: 1.5 +denoiser: + noise_scale_ca: 1 + final_noise_scale_ca: 1 + ca_noise_schedule_type: constant + noise_scale_frame: 1 + final_noise_scale_frame: 1 + frame_noise_schedule_type: constant +ppi: + hotspot_res: + - A48 + - A64 + - A73 + - A74 + - A75 + - A76 + - A81 + - A92 + - A93 + - A94 + - A95 + - A97 + - A100 + - A102 + - A110 + - A129 + - A133 + - A134 + - A136 + - A137 + - A138 + - A142 + - A155 + - A158 + - A165 + - A166 + - A168 + - A169 + - A184 + - A189 + - A192 + - A193 + - A205 + - A206 + - A209 + - A212 + - A215 + - A222 + - A223 + - A225 + - A226 + - A227 + - A228 + - A229 + - A230 + - A234 + - A241 + - A251 + - A257 + - A258 + - A259 + - A260 + - A271 + - A275 + - A276 +potentials: + guiding_potentials: null + guide_scale: 10 + guide_decay: constant + olig_inter_all: null + olig_intra_all: null + olig_custom_contact: null + substrate: null +contig_settings: + ref_idx: null + hal_idx: null + idx_rf: null + inpaint_seq_tensor: null +preprocess: + sidechain_input: false + motif_sidechain_input: true + d_t1d: 22 + d_t2d: 44 + prob_self_cond: 0.0 + str_self_cond: false + predict_previous: false +logging: + inputs: false +scaffoldguided: + scaffoldguided: false + target_pdb: false + target_path: null + scaffold_list: null + scaffold_dir: null + sampled_insertion: 0 + sampled_N: 0 + sampled_C: 0 + ss_mask: 0 + systematic: false + target_ss: null + target_adj: null + mask_loops: true + contig_crop: null diff --git a/RFdiffusion/outputs/2023-09-24/12-38-24/.hydra/hydra.yaml b/RFdiffusion/outputs/2023-09-24/12-38-24/.hydra/hydra.yaml new file mode 100644 index 0000000000000000000000000000000000000000..f0fc9d94093c254ad1401c49d3a3bbb3f2159455 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-24/12-38-24/.hydra/hydra.yaml @@ -0,0 +1,160 @@ +hydra: + run: + dir: outputs/${now:%Y-%m-%d}/${now:%H-%M-%S} + sweep: + dir: multirun/${now:%Y-%m-%d}/${now:%H-%M-%S} + subdir: ${hydra.job.num} + launcher: + _target_: hydra._internal.core_plugins.basic_launcher.BasicLauncher + sweeper: + _target_: hydra._internal.core_plugins.basic_sweeper.BasicSweeper + max_batch_size: null + params: null + help: + app_name: ${hydra.job.name} + header: '${hydra.help.app_name} is powered by Hydra. + + ' + footer: 'Powered by Hydra (https://hydra.cc) + + Use --hydra-help to view Hydra specific help + + ' + template: '${hydra.help.header} + + == Configuration groups == + + Compose your configuration from those groups (group=option) + + + $APP_CONFIG_GROUPS + + + == Config == + + Override anything in the config (foo.bar=value) + + + $CONFIG + + + ${hydra.help.footer} + + ' + hydra_help: + template: 'Hydra (${hydra.runtime.version}) + + See https://hydra.cc for more info. + + + == Flags == + + $FLAGS_HELP + + + == Configuration groups == + + Compose your configuration from those groups (For example, append hydra/job_logging=disabled + to command line) + + + $HYDRA_CONFIG_GROUPS + + + Use ''--cfg hydra'' to Show the Hydra config. + + ' + hydra_help: ??? + hydra_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][HYDRA] %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + root: + level: INFO + handlers: + - console + loggers: + logging_example: + level: DEBUG + disable_existing_loggers: false + job_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][%(name)s][%(levelname)s] - %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + file: + class: logging.FileHandler + formatter: simple + filename: ${hydra.runtime.output_dir}/${hydra.job.name}.log + root: + level: INFO + handlers: + - console + - file + disable_existing_loggers: false + env: {} + mode: RUN + searchpath: [] + callbacks: {} + output_subdir: .hydra + overrides: + hydra: + - hydra.mode=RUN + task: + - inference.output_prefix=./ + - inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + - contigmap.contigs=[A46-291/0 400-400] + - ppi.hotspot_res=[A48,A64,A73,A74,A75,A76,A81,A92,A93,A94,A95,A97,A100,A102,A110,A129,A133,A134,A136,A137,A138,A142,A155,A158,A165,A166,A168,A169,A184,A189,A192,A193,A205,A206,A209,A212,A215,A222,A223,A225,A226,A227,A228,A229,A230,A234,A241,A251,A257,A258,A259,A260,A271,A275,A276] + - inference.output_prefix=testoutputs/binder_test + - inference.num_designs=1 + job: + name: run_inference + chdir: null + override_dirname: contigmap.contigs=[A46-291/0 400-400],inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb,inference.num_designs=1,inference.output_prefix=./,inference.output_prefix=testoutputs/binder_test,ppi.hotspot_res=[A48,A64,A73,A74,A75,A76,A81,A92,A93,A94,A95,A97,A100,A102,A110,A129,A133,A134,A136,A137,A138,A142,A155,A158,A165,A166,A168,A169,A184,A189,A192,A193,A205,A206,A209,A212,A215,A222,A223,A225,A226,A227,A228,A229,A230,A234,A241,A251,A257,A258,A259,A260,A271,A275,A276] + id: ??? + num: ??? + config_name: base + env_set: {} + env_copy: [] + config: + override_dirname: + kv_sep: '=' + item_sep: ',' + exclude_keys: [] + runtime: + version: 1.3.2 + version_base: '1.3' + cwd: C:\Users\adminisiterlator\RFdiffusion + config_sources: + - path: hydra.conf + schema: pkg + provider: hydra + - path: C:\Users\adminisiterlator\RFdiffusion\config\inference + schema: file + provider: main + - path: '' + schema: structured + provider: schema + output_dir: C:\Users\adminisiterlator\RFdiffusion\outputs\2023-09-24\12-38-24 + choices: + hydra/env: default + hydra/callbacks: null + hydra/job_logging: default + hydra/hydra_logging: default + hydra/hydra_help: default + hydra/help: default + hydra/sweeper: basic + hydra/launcher: basic + hydra/output: default + verbose: false diff --git a/RFdiffusion/outputs/2023-09-24/12-38-24/.hydra/overrides.yaml b/RFdiffusion/outputs/2023-09-24/12-38-24/.hydra/overrides.yaml new file mode 100644 index 0000000000000000000000000000000000000000..9df9e7e30a8c96b9dbc76d4592c9ab98d5a8f14f --- /dev/null +++ b/RFdiffusion/outputs/2023-09-24/12-38-24/.hydra/overrides.yaml @@ -0,0 +1,6 @@ +- inference.output_prefix=./ +- inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb +- contigmap.contigs=[A46-291/0 400-400] +- ppi.hotspot_res=[A48,A64,A73,A74,A75,A76,A81,A92,A93,A94,A95,A97,A100,A102,A110,A129,A133,A134,A136,A137,A138,A142,A155,A158,A165,A166,A168,A169,A184,A189,A192,A193,A205,A206,A209,A212,A215,A222,A223,A225,A226,A227,A228,A229,A230,A234,A241,A251,A257,A258,A259,A260,A271,A275,A276] +- inference.output_prefix=testoutputs/binder_test +- inference.num_designs=1 diff --git a/RFdiffusion/outputs/2023-09-24/12-38-24/run_inference.log b/RFdiffusion/outputs/2023-09-24/12-38-24/run_inference.log new file mode 100644 index 0000000000000000000000000000000000000000..644761984fcf3debd0fd9cbd092497ee49a8e32a --- /dev/null +++ b/RFdiffusion/outputs/2023-09-24/12-38-24/run_inference.log @@ -0,0 +1,106 @@ +[2023-09-24 12:38:24,377][__main__][INFO] - Found GPU with device_name NVIDIA GeForce RTX 2060. Will run RFdiffusion on NVIDIA GeForce RTX 2060 +[2023-09-24 12:38:24,379][rfdiffusion.inference.model_runners][INFO] - Reading checkpoint from C:\Users\adminisiterlator\RFdiffusion\rfdiffusion\inference/../../models/Complex_base_ckpt.pt +[2023-09-24 12:38:29,808][rfdiffusion.inference.model_runners][INFO] - Loading checkpoint. +[2023-09-24 12:38:36,703][rfdiffusion.diffusion][INFO] - Using cached IGSO3. +[2023-09-24 12:38:36,747][__main__][INFO] - Making design testoutputs/binder_test_0 +[2023-09-24 12:38:36,778][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A46-291/0 400-400'] +[2023-09-24 12:38:36,890][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-24 12:39:22,568][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.16 +[2023-09-24 12:39:22,590][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-24 12:40:00,121][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.16 +[2023-09-24 12:40:00,131][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-24 12:40:39,501][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2023-09-24 12:40:39,515][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-24 12:41:20,260][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2023-09-24 12:41:20,271][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-24 12:42:03,069][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2023-09-24 12:42:03,079][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-24 12:42:47,665][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2023-09-24 12:42:47,672][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-24 12:43:33,659][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2023-09-24 12:43:33,669][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-24 12:44:20,600][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2023-09-24 12:44:20,613][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-24 12:45:08,850][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.16 +[2023-09-24 12:45:08,861][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-24 12:45:57,102][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.16 +[2023-09-24 12:45:57,114][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-24 12:46:46,926][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.16 +[2023-09-24 12:46:46,942][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-24 12:47:36,710][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.16 +[2023-09-24 12:47:36,751][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-24 12:48:20,406][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.16 +[2023-09-24 12:48:20,419][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-24 12:49:10,596][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.16 +[2023-09-24 12:49:10,607][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-24 12:50:02,278][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.16 +[2023-09-24 12:50:02,288][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-24 12:50:53,892][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.16 +[2023-09-24 12:50:53,915][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-24 12:51:45,647][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.16 +[2023-09-24 12:51:45,662][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-24 12:52:37,446][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2023-09-24 12:52:37,470][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-24 12:53:29,393][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.16 +[2023-09-24 12:53:29,408][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-24 12:54:21,316][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.16 +[2023-09-24 12:54:21,326][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-24 12:55:13,200][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.16 +[2023-09-24 12:55:13,222][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-24 12:56:05,192][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.16 +[2023-09-24 12:56:05,212][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-24 12:56:56,743][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.16 +[2023-09-24 12:56:56,756][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-24 12:57:25,072][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2023-09-24 12:57:25,083][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-24 12:57:53,104][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2023-09-24 12:57:53,115][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-24 12:58:20,902][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2023-09-24 12:58:20,917][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-24 12:58:48,756][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.16 +[2023-09-24 12:58:48,780][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-24 12:59:16,673][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2023-09-24 12:59:16,684][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-24 12:59:44,531][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.16 +[2023-09-24 12:59:44,544][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-24 13:00:12,395][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.16 +[2023-09-24 13:00:12,408][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-24 13:00:40,291][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.16 +[2023-09-24 13:00:40,305][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-24 13:01:08,156][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2023-09-24 13:01:08,171][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-24 13:01:36,060][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.16 +[2023-09-24 13:01:36,071][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-24 13:02:03,970][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.16 +[2023-09-24 13:02:03,986][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-24 13:02:31,815][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.16 +[2023-09-24 13:02:31,833][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-24 13:02:59,672][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2023-09-24 13:02:59,684][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-24 13:03:27,462][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2023-09-24 13:03:27,485][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-24 13:03:55,332][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2023-09-24 13:03:55,354][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-24 13:04:23,275][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2023-09-24 13:04:23,297][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-24 13:04:51,384][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2023-09-24 13:04:51,398][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-24 13:05:19,216][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2023-09-24 13:05:19,234][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-24 13:05:47,129][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2023-09-24 13:05:47,143][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-24 13:06:14,989][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2023-09-24 13:06:15,000][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-24 13:06:43,102][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2023-09-24 13:06:43,122][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-24 13:07:11,177][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2023-09-24 13:07:11,191][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-24 13:07:38,921][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2023-09-24 13:07:38,933][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-24 13:08:08,607][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2023-09-24 13:08:08,628][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-24 13:08:37,454][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2023-09-24 13:08:37,476][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-24 13:09:06,215][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2023-09-24 13:09:06,228][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-24 13:09:57,993][__main__][INFO] - Finished design in 31.35 minutes diff --git a/RFdiffusion/outputs/2023-09-28/13-27-00/.hydra/config.yaml b/RFdiffusion/outputs/2023-09-28/13-27-00/.hydra/config.yaml new file mode 100644 index 0000000000000000000000000000000000000000..154a2c37374546920e6b1286840ba61b34756d7b --- /dev/null +++ b/RFdiffusion/outputs/2023-09-28/13-27-00/.hydra/config.yaml @@ -0,0 +1,180 @@ +inference: + input_pdb: C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + num_designs: 1 + design_startnum: 0 + ckpt_override_path: models/Complex_beta_ckpt.pt + symmetry: null + recenter: true + radius: 10.0 + model_only_neighbors: false + output_prefix: testoutputs/binder_test + write_trajectory: true + scaffold_guided: false + model_runner: SelfConditioning + cautious: true + align_motif: true + symmetric_self_cond: true + final_step: 1 + deterministic: false + trb_save_ckpt_path: null + schedule_directory_path: null + model_directory_path: null +contigmap: + contigs: + - A46-291/0 400-400 + inpaint_seq: null + provide_seq: null + length: null +model: + n_extra_block: 4 + n_main_block: 32 + n_ref_block: 4 + d_msa: 256 + d_msa_full: 64 + d_pair: 128 + d_templ: 64 + n_head_msa: 8 + n_head_pair: 4 + n_head_templ: 4 + d_hidden: 32 + d_hidden_templ: 32 + p_drop: 0.15 + SE3_param_full: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 8 + l0_out_features: 8 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 32 + SE3_param_topk: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 64 + l0_out_features: 64 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 64 + freeze_track_motif: false + use_motif_timestep: false +diffuser: + T: 50 + b_0: 0.01 + b_T: 0.07 + schedule_type: linear + so3_type: igso3 + crd_scale: 0.25 + partial_T: null + so3_schedule_type: linear + min_b: 1.5 + max_b: 2.5 + min_sigma: 0.02 + max_sigma: 1.5 +denoiser: + noise_scale_ca: 1 + final_noise_scale_ca: 1 + ca_noise_schedule_type: constant + noise_scale_frame: 1 + final_noise_scale_frame: 1 + frame_noise_schedule_type: constant +ppi: + hotspot_res: + - A48 + - A64 + - A73 + - A74 + - A75 + - A76 + - A81 + - A92 + - A93 + - A94 + - A95 + - A97 + - A100 + - A102 + - A110 + - A129 + - A133 + - A134 + - A136 + - A137 + - A138 + - A142 + - A155 + - A158 + - A165 + - A166 + - A168 + - A169 + - A184 + - A189 + - A192 + - A193 + - A205 + - A206 + - A209 + - A212 + - A215 + - A222 + - A223 + - A225 + - A226 + - A227 + - A228 + - A229 + - A230 + - A234 + - A241 + - A251 + - A257 + - A258 + - A259 + - A260 + - A271 + - A275 + - A276 +potentials: + guiding_potentials: null + guide_scale: 10 + guide_decay: constant + olig_inter_all: null + olig_intra_all: null + olig_custom_contact: null + substrate: null +contig_settings: + ref_idx: null + hal_idx: null + idx_rf: null + inpaint_seq_tensor: null +preprocess: + sidechain_input: false + motif_sidechain_input: true + d_t1d: 22 + d_t2d: 44 + prob_self_cond: 0.0 + str_self_cond: false + predict_previous: false +logging: + inputs: false +scaffoldguided: + scaffoldguided: false + target_pdb: false + target_path: null + scaffold_list: null + scaffold_dir: null + sampled_insertion: 0 + sampled_N: 0 + sampled_C: 0 + ss_mask: 0 + systematic: false + target_ss: null + target_adj: null + mask_loops: true + contig_crop: null diff --git a/RFdiffusion/outputs/2023-09-28/13-27-00/.hydra/hydra.yaml b/RFdiffusion/outputs/2023-09-28/13-27-00/.hydra/hydra.yaml new file mode 100644 index 0000000000000000000000000000000000000000..3fc89a37177e2906295a300e0fcc30183ddb3fd5 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-28/13-27-00/.hydra/hydra.yaml @@ -0,0 +1,161 @@ +hydra: + run: + dir: outputs/${now:%Y-%m-%d}/${now:%H-%M-%S} + sweep: + dir: multirun/${now:%Y-%m-%d}/${now:%H-%M-%S} + subdir: ${hydra.job.num} + launcher: + _target_: hydra._internal.core_plugins.basic_launcher.BasicLauncher + sweeper: + _target_: hydra._internal.core_plugins.basic_sweeper.BasicSweeper + max_batch_size: null + params: null + help: + app_name: ${hydra.job.name} + header: '${hydra.help.app_name} is powered by Hydra. + + ' + footer: 'Powered by Hydra (https://hydra.cc) + + Use --hydra-help to view Hydra specific help + + ' + template: '${hydra.help.header} + + == Configuration groups == + + Compose your configuration from those groups (group=option) + + + $APP_CONFIG_GROUPS + + + == Config == + + Override anything in the config (foo.bar=value) + + + $CONFIG + + + ${hydra.help.footer} + + ' + hydra_help: + template: 'Hydra (${hydra.runtime.version}) + + See https://hydra.cc for more info. + + + == Flags == + + $FLAGS_HELP + + + == Configuration groups == + + Compose your configuration from those groups (For example, append hydra/job_logging=disabled + to command line) + + + $HYDRA_CONFIG_GROUPS + + + Use ''--cfg hydra'' to Show the Hydra config. + + ' + hydra_help: ??? + hydra_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][HYDRA] %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + root: + level: INFO + handlers: + - console + loggers: + logging_example: + level: DEBUG + disable_existing_loggers: false + job_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][%(name)s][%(levelname)s] - %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + file: + class: logging.FileHandler + formatter: simple + filename: ${hydra.runtime.output_dir}/${hydra.job.name}.log + root: + level: INFO + handlers: + - console + - file + disable_existing_loggers: false + env: {} + mode: RUN + searchpath: [] + callbacks: {} + output_subdir: .hydra + overrides: + hydra: + - hydra.mode=RUN + task: + - inference.output_prefix=./ + - inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + - contigmap.contigs=[A46-291/0 400-400] + - ppi.hotspot_res=[A48,A64,A73,A74,A75,A76,A81,A92,A93,A94,A95,A97,A100,A102,A110,A129,A133,A134,A136,A137,A138,A142,A155,A158,A165,A166,A168,A169,A184,A189,A192,A193,A205,A206,A209,A212,A215,A222,A223,A225,A226,A227,A228,A229,A230,A234,A241,A251,A257,A258,A259,A260,A271,A275,A276] + - inference.output_prefix=testoutputs/binder_test + - inference.ckpt_override_path=models/Complex_beta_ckpt.pt + - inference.num_designs=1 + job: + name: run_inference + chdir: null + override_dirname: contigmap.contigs=[A46-291/0 400-400],inference.ckpt_override_path=models/Complex_beta_ckpt.pt,inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb,inference.num_designs=1,inference.output_prefix=./,inference.output_prefix=testoutputs/binder_test,ppi.hotspot_res=[A48,A64,A73,A74,A75,A76,A81,A92,A93,A94,A95,A97,A100,A102,A110,A129,A133,A134,A136,A137,A138,A142,A155,A158,A165,A166,A168,A169,A184,A189,A192,A193,A205,A206,A209,A212,A215,A222,A223,A225,A226,A227,A228,A229,A230,A234,A241,A251,A257,A258,A259,A260,A271,A275,A276] + id: ??? + num: ??? + config_name: base + env_set: {} + env_copy: [] + config: + override_dirname: + kv_sep: '=' + item_sep: ',' + exclude_keys: [] + runtime: + version: 1.3.2 + version_base: '1.3' + cwd: C:\Users\adminisiterlator\RFdiffusion + config_sources: + - path: hydra.conf + schema: pkg + provider: hydra + - path: C:\Users\adminisiterlator\RFdiffusion\config\inference + schema: file + provider: main + - path: '' + schema: structured + provider: schema + output_dir: C:\Users\adminisiterlator\RFdiffusion\outputs\2023-09-28\13-27-00 + choices: + hydra/env: default + hydra/callbacks: null + hydra/job_logging: default + hydra/hydra_logging: default + hydra/hydra_help: default + hydra/help: default + hydra/sweeper: basic + hydra/launcher: basic + hydra/output: default + verbose: false diff --git a/RFdiffusion/outputs/2023-09-28/13-27-00/.hydra/overrides.yaml b/RFdiffusion/outputs/2023-09-28/13-27-00/.hydra/overrides.yaml new file mode 100644 index 0000000000000000000000000000000000000000..1b29d61237a415f121b477e814fb24bd59d00baf --- /dev/null +++ b/RFdiffusion/outputs/2023-09-28/13-27-00/.hydra/overrides.yaml @@ -0,0 +1,7 @@ +- inference.output_prefix=./ +- inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb +- contigmap.contigs=[A46-291/0 400-400] +- ppi.hotspot_res=[A48,A64,A73,A74,A75,A76,A81,A92,A93,A94,A95,A97,A100,A102,A110,A129,A133,A134,A136,A137,A138,A142,A155,A158,A165,A166,A168,A169,A184,A189,A192,A193,A205,A206,A209,A212,A215,A222,A223,A225,A226,A227,A228,A229,A230,A234,A241,A251,A257,A258,A259,A260,A271,A275,A276] +- inference.output_prefix=testoutputs/binder_test +- inference.ckpt_override_path=models/Complex_beta_ckpt.pt +- inference.num_designs=1 diff --git a/RFdiffusion/outputs/2023-09-28/13-27-00/run_inference.log b/RFdiffusion/outputs/2023-09-28/13-27-00/run_inference.log new file mode 100644 index 0000000000000000000000000000000000000000..5a6718ce0b4a2e75d9ce7883d7ae1e9631b63f5e --- /dev/null +++ b/RFdiffusion/outputs/2023-09-28/13-27-00/run_inference.log @@ -0,0 +1,6 @@ +[2023-09-28 13:27:00,314][__main__][INFO] - Found GPU with device_name NVIDIA GeForce RTX 2060. Will run RFdiffusion on NVIDIA GeForce RTX 2060 +[2023-09-28 13:27:00,316][rfdiffusion.inference.model_runners][INFO] - Reading checkpoint from models/Complex_beta_ckpt.pt +[2023-09-28 13:27:06,452][rfdiffusion.inference.model_runners][INFO] - Loading checkpoint. +[2023-09-28 13:27:15,453][rfdiffusion.diffusion][INFO] - Using cached IGSO3. +[2023-09-28 13:27:15,509][__main__][INFO] - Making design testoutputs/binder_test_0 +[2023-09-28 13:27:15,511][__main__][INFO] - (cautious mode) Skipping this design because testoutputs/binder_test_0.pdb already exists. diff --git a/RFdiffusion/outputs/2023-09-28/13-28-14/.hydra/config.yaml b/RFdiffusion/outputs/2023-09-28/13-28-14/.hydra/config.yaml new file mode 100644 index 0000000000000000000000000000000000000000..154a2c37374546920e6b1286840ba61b34756d7b --- /dev/null +++ b/RFdiffusion/outputs/2023-09-28/13-28-14/.hydra/config.yaml @@ -0,0 +1,180 @@ +inference: + input_pdb: C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + num_designs: 1 + design_startnum: 0 + ckpt_override_path: models/Complex_beta_ckpt.pt + symmetry: null + recenter: true + radius: 10.0 + model_only_neighbors: false + output_prefix: testoutputs/binder_test + write_trajectory: true + scaffold_guided: false + model_runner: SelfConditioning + cautious: true + align_motif: true + symmetric_self_cond: true + final_step: 1 + deterministic: false + trb_save_ckpt_path: null + schedule_directory_path: null + model_directory_path: null +contigmap: + contigs: + - A46-291/0 400-400 + inpaint_seq: null + provide_seq: null + length: null +model: + n_extra_block: 4 + n_main_block: 32 + n_ref_block: 4 + d_msa: 256 + d_msa_full: 64 + d_pair: 128 + d_templ: 64 + n_head_msa: 8 + n_head_pair: 4 + n_head_templ: 4 + d_hidden: 32 + d_hidden_templ: 32 + p_drop: 0.15 + SE3_param_full: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 8 + l0_out_features: 8 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 32 + SE3_param_topk: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 64 + l0_out_features: 64 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 64 + freeze_track_motif: false + use_motif_timestep: false +diffuser: + T: 50 + b_0: 0.01 + b_T: 0.07 + schedule_type: linear + so3_type: igso3 + crd_scale: 0.25 + partial_T: null + so3_schedule_type: linear + min_b: 1.5 + max_b: 2.5 + min_sigma: 0.02 + max_sigma: 1.5 +denoiser: + noise_scale_ca: 1 + final_noise_scale_ca: 1 + ca_noise_schedule_type: constant + noise_scale_frame: 1 + final_noise_scale_frame: 1 + frame_noise_schedule_type: constant +ppi: + hotspot_res: + - A48 + - A64 + - A73 + - A74 + - A75 + - A76 + - A81 + - A92 + - A93 + - A94 + - A95 + - A97 + - A100 + - A102 + - A110 + - A129 + - A133 + - A134 + - A136 + - A137 + - A138 + - A142 + - A155 + - A158 + - A165 + - A166 + - A168 + - A169 + - A184 + - A189 + - A192 + - A193 + - A205 + - A206 + - A209 + - A212 + - A215 + - A222 + - A223 + - A225 + - A226 + - A227 + - A228 + - A229 + - A230 + - A234 + - A241 + - A251 + - A257 + - A258 + - A259 + - A260 + - A271 + - A275 + - A276 +potentials: + guiding_potentials: null + guide_scale: 10 + guide_decay: constant + olig_inter_all: null + olig_intra_all: null + olig_custom_contact: null + substrate: null +contig_settings: + ref_idx: null + hal_idx: null + idx_rf: null + inpaint_seq_tensor: null +preprocess: + sidechain_input: false + motif_sidechain_input: true + d_t1d: 22 + d_t2d: 44 + prob_self_cond: 0.0 + str_self_cond: false + predict_previous: false +logging: + inputs: false +scaffoldguided: + scaffoldguided: false + target_pdb: false + target_path: null + scaffold_list: null + scaffold_dir: null + sampled_insertion: 0 + sampled_N: 0 + sampled_C: 0 + ss_mask: 0 + systematic: false + target_ss: null + target_adj: null + mask_loops: true + contig_crop: null diff --git a/RFdiffusion/outputs/2023-09-28/13-28-14/.hydra/hydra.yaml b/RFdiffusion/outputs/2023-09-28/13-28-14/.hydra/hydra.yaml new file mode 100644 index 0000000000000000000000000000000000000000..0dcce24e5146f940faa58bb170a68e4c7e877824 --- /dev/null +++ b/RFdiffusion/outputs/2023-09-28/13-28-14/.hydra/hydra.yaml @@ -0,0 +1,161 @@ +hydra: + run: + dir: outputs/${now:%Y-%m-%d}/${now:%H-%M-%S} + sweep: + dir: multirun/${now:%Y-%m-%d}/${now:%H-%M-%S} + subdir: ${hydra.job.num} + launcher: + _target_: hydra._internal.core_plugins.basic_launcher.BasicLauncher + sweeper: + _target_: hydra._internal.core_plugins.basic_sweeper.BasicSweeper + max_batch_size: null + params: null + help: + app_name: ${hydra.job.name} + header: '${hydra.help.app_name} is powered by Hydra. + + ' + footer: 'Powered by Hydra (https://hydra.cc) + + Use --hydra-help to view Hydra specific help + + ' + template: '${hydra.help.header} + + == Configuration groups == + + Compose your configuration from those groups (group=option) + + + $APP_CONFIG_GROUPS + + + == Config == + + Override anything in the config (foo.bar=value) + + + $CONFIG + + + ${hydra.help.footer} + + ' + hydra_help: + template: 'Hydra (${hydra.runtime.version}) + + See https://hydra.cc for more info. + + + == Flags == + + $FLAGS_HELP + + + == Configuration groups == + + Compose your configuration from those groups (For example, append hydra/job_logging=disabled + to command line) + + + $HYDRA_CONFIG_GROUPS + + + Use ''--cfg hydra'' to Show the Hydra config. + + ' + hydra_help: ??? + hydra_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][HYDRA] %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + root: + level: INFO + handlers: + - console + loggers: + logging_example: + level: DEBUG + disable_existing_loggers: false + job_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][%(name)s][%(levelname)s] - %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + file: + class: logging.FileHandler + formatter: simple + filename: ${hydra.runtime.output_dir}/${hydra.job.name}.log + root: + level: INFO + handlers: + - console + - file + disable_existing_loggers: false + env: {} + mode: RUN + searchpath: [] + callbacks: {} + output_subdir: .hydra + overrides: + hydra: + - hydra.mode=RUN + task: + - inference.output_prefix=./ + - inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + - contigmap.contigs=[A46-291/0 400-400] + - ppi.hotspot_res=[A48,A64,A73,A74,A75,A76,A81,A92,A93,A94,A95,A97,A100,A102,A110,A129,A133,A134,A136,A137,A138,A142,A155,A158,A165,A166,A168,A169,A184,A189,A192,A193,A205,A206,A209,A212,A215,A222,A223,A225,A226,A227,A228,A229,A230,A234,A241,A251,A257,A258,A259,A260,A271,A275,A276] + - inference.output_prefix=testoutputs/binder_test + - inference.ckpt_override_path=models/Complex_beta_ckpt.pt + - inference.num_designs=1 + job: + name: run_inference + chdir: null + override_dirname: contigmap.contigs=[A46-291/0 400-400],inference.ckpt_override_path=models/Complex_beta_ckpt.pt,inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb,inference.num_designs=1,inference.output_prefix=./,inference.output_prefix=testoutputs/binder_test,ppi.hotspot_res=[A48,A64,A73,A74,A75,A76,A81,A92,A93,A94,A95,A97,A100,A102,A110,A129,A133,A134,A136,A137,A138,A142,A155,A158,A165,A166,A168,A169,A184,A189,A192,A193,A205,A206,A209,A212,A215,A222,A223,A225,A226,A227,A228,A229,A230,A234,A241,A251,A257,A258,A259,A260,A271,A275,A276] + id: ??? + num: ??? + config_name: base + env_set: {} + env_copy: [] + config: + override_dirname: + kv_sep: '=' + item_sep: ',' + exclude_keys: [] + runtime: + version: 1.3.2 + version_base: '1.3' + cwd: C:\Users\adminisiterlator\RFdiffusion + config_sources: + - path: hydra.conf + schema: pkg + provider: hydra + - path: C:\Users\adminisiterlator\RFdiffusion\config\inference + schema: file + provider: main + - path: '' + schema: structured + provider: schema + output_dir: C:\Users\adminisiterlator\RFdiffusion\outputs\2023-09-28\13-28-14 + choices: + hydra/env: default + hydra/callbacks: null + hydra/job_logging: default + hydra/hydra_logging: default + hydra/hydra_help: default + hydra/help: default + hydra/sweeper: basic + hydra/launcher: basic + hydra/output: default + verbose: false diff --git a/RFdiffusion/outputs/2023-09-28/13-28-14/.hydra/overrides.yaml b/RFdiffusion/outputs/2023-09-28/13-28-14/.hydra/overrides.yaml new file mode 100644 index 0000000000000000000000000000000000000000..1b29d61237a415f121b477e814fb24bd59d00baf --- /dev/null +++ b/RFdiffusion/outputs/2023-09-28/13-28-14/.hydra/overrides.yaml @@ -0,0 +1,7 @@ +- inference.output_prefix=./ +- inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb +- contigmap.contigs=[A46-291/0 400-400] +- ppi.hotspot_res=[A48,A64,A73,A74,A75,A76,A81,A92,A93,A94,A95,A97,A100,A102,A110,A129,A133,A134,A136,A137,A138,A142,A155,A158,A165,A166,A168,A169,A184,A189,A192,A193,A205,A206,A209,A212,A215,A222,A223,A225,A226,A227,A228,A229,A230,A234,A241,A251,A257,A258,A259,A260,A271,A275,A276] +- inference.output_prefix=testoutputs/binder_test +- inference.ckpt_override_path=models/Complex_beta_ckpt.pt +- inference.num_designs=1 diff --git a/RFdiffusion/outputs/2023-09-28/13-28-14/run_inference.log b/RFdiffusion/outputs/2023-09-28/13-28-14/run_inference.log new file mode 100644 index 0000000000000000000000000000000000000000..125088c4554c0a000f91b79910e57dba513048dd --- /dev/null +++ b/RFdiffusion/outputs/2023-09-28/13-28-14/run_inference.log @@ -0,0 +1,106 @@ +[2023-09-28 13:28:15,113][__main__][INFO] - Found GPU with device_name NVIDIA GeForce RTX 2060. Will run RFdiffusion on NVIDIA GeForce RTX 2060 +[2023-09-28 13:28:15,116][rfdiffusion.inference.model_runners][INFO] - Reading checkpoint from models/Complex_beta_ckpt.pt +[2023-09-28 13:28:20,853][rfdiffusion.inference.model_runners][INFO] - Loading checkpoint. +[2023-09-28 13:28:29,325][rfdiffusion.diffusion][INFO] - Using cached IGSO3. +[2023-09-28 13:28:29,396][__main__][INFO] - Making design testoutputs/binder_test_0 +[2023-09-28 13:28:29,464][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A46-291/0 400-400'] +[2023-09-28 13:28:29,722][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-28 13:29:08,228][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.19 +[2023-09-28 13:29:08,253][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-28 13:29:39,094][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.16 +[2023-09-28 13:29:39,106][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-28 13:30:13,324][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.17 +[2023-09-28 13:30:13,335][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-28 13:30:48,664][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.17 +[2023-09-28 13:30:48,680][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-28 13:31:23,774][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.17 +[2023-09-28 13:31:23,786][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-28 13:31:58,685][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.16 +[2023-09-28 13:31:58,695][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-28 13:32:33,882][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.16 +[2023-09-28 13:32:33,898][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-28 13:33:09,142][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.16 +[2023-09-28 13:33:09,157][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-28 13:33:45,897][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.16 +[2023-09-28 13:33:45,959][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-28 13:35:11,153][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.16 +[2023-09-28 13:35:11,168][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-28 13:36:40,806][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.16 +[2023-09-28 13:36:40,818][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-28 13:38:09,663][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.17 +[2023-09-28 13:38:09,678][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-28 13:39:38,511][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.16 +[2023-09-28 13:39:38,525][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-28 13:41:07,823][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.16 +[2023-09-28 13:41:07,836][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-28 13:42:37,131][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.17 +[2023-09-28 13:42:37,147][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-28 13:44:06,679][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.17 +[2023-09-28 13:44:06,735][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-28 13:45:36,411][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.17 +[2023-09-28 13:45:36,430][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-28 13:47:05,533][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.17 +[2023-09-28 13:47:05,547][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-28 13:48:34,281][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.18 +[2023-09-28 13:48:34,304][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-28 13:50:02,739][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.17 +[2023-09-28 13:50:02,762][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-28 13:51:31,241][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.17 +[2023-09-28 13:51:31,265][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-28 13:53:00,110][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.17 +[2023-09-28 13:53:00,127][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-28 13:54:28,826][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.18 +[2023-09-28 13:54:28,838][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-28 13:55:57,161][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.17 +[2023-09-28 13:55:57,178][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-28 13:57:25,657][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.17 +[2023-09-28 13:57:25,678][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-28 13:58:54,044][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.16 +[2023-09-28 13:58:54,058][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-28 14:00:22,198][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.16 +[2023-09-28 14:00:22,210][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-28 14:01:43,023][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.16 +[2023-09-28 14:01:43,042][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-28 14:02:58,998][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.16 +[2023-09-28 14:02:59,017][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-28 14:04:14,866][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.16 +[2023-09-28 14:04:14,878][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-28 14:05:31,019][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2023-09-28 14:05:31,035][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-28 14:06:47,211][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.16 +[2023-09-28 14:06:47,232][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-28 14:08:02,928][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.16 +[2023-09-28 14:08:02,949][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-28 14:09:18,803][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.16 +[2023-09-28 14:09:18,814][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-28 14:10:34,932][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.16 +[2023-09-28 14:10:34,953][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-28 14:11:51,104][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.16 +[2023-09-28 14:11:51,124][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-28 14:13:07,020][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.16 +[2023-09-28 14:13:07,032][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-28 14:14:23,009][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.17 +[2023-09-28 14:14:23,021][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-28 14:15:39,226][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.16 +[2023-09-28 14:15:39,244][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-28 14:16:54,972][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.16 +[2023-09-28 14:16:54,992][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-28 14:18:10,894][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.16 +[2023-09-28 14:18:10,906][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-28 14:19:26,329][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.16 +[2023-09-28 14:19:26,341][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-28 14:20:42,286][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2023-09-28 14:20:42,296][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-28 14:21:58,234][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.16 +[2023-09-28 14:21:58,254][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-28 14:23:13,959][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.16 +[2023-09-28 14:23:13,979][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-28 14:24:29,970][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.16 +[2023-09-28 14:24:29,982][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-28 14:25:45,661][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2023-09-28 14:25:45,671][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-28 14:27:01,197][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2023-09-28 14:27:01,214][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-28 14:28:16,914][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2023-09-28 14:28:16,935][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-09-28 14:29:53,082][__main__][INFO] - Finished design in 61.39 minutes diff --git a/RFdiffusion/outputs/2023-10-04/12-39-46/.hydra/config.yaml b/RFdiffusion/outputs/2023-10-04/12-39-46/.hydra/config.yaml new file mode 100644 index 0000000000000000000000000000000000000000..7a2f5cac7d39bc68b800277b6fa353e8e3fa6b83 --- /dev/null +++ b/RFdiffusion/outputs/2023-10-04/12-39-46/.hydra/config.yaml @@ -0,0 +1,180 @@ +inference: + input_pdb: C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + num_designs: 10 + design_startnum: 0 + ckpt_override_path: models/Complex_beta_ckpt.pt + symmetry: null + recenter: true + radius: 10.0 + model_only_neighbors: false + output_prefix: testoutputs/binder_test + write_trajectory: true + scaffold_guided: false + model_runner: SelfConditioning + cautious: true + align_motif: true + symmetric_self_cond: true + final_step: 1 + deterministic: false + trb_save_ckpt_path: null + schedule_directory_path: null + model_directory_path: null +contigmap: + contigs: + - A46-291/0 400-400 + inpaint_seq: null + provide_seq: null + length: null +model: + n_extra_block: 4 + n_main_block: 32 + n_ref_block: 4 + d_msa: 256 + d_msa_full: 64 + d_pair: 128 + d_templ: 64 + n_head_msa: 8 + n_head_pair: 4 + n_head_templ: 4 + d_hidden: 32 + d_hidden_templ: 32 + p_drop: 0.15 + SE3_param_full: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 8 + l0_out_features: 8 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 32 + SE3_param_topk: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 64 + l0_out_features: 64 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 64 + freeze_track_motif: false + use_motif_timestep: false +diffuser: + T: 50 + b_0: 0.01 + b_T: 0.07 + schedule_type: linear + so3_type: igso3 + crd_scale: 0.25 + partial_T: null + so3_schedule_type: linear + min_b: 1.5 + max_b: 2.5 + min_sigma: 0.02 + max_sigma: 1.5 +denoiser: + noise_scale_ca: 1 + final_noise_scale_ca: 1 + ca_noise_schedule_type: constant + noise_scale_frame: 1 + final_noise_scale_frame: 1 + frame_noise_schedule_type: constant +ppi: + hotspot_res: + - A48 + - A64 + - A73 + - A74 + - A75 + - A76 + - A81 + - A92 + - A93 + - A94 + - A95 + - A97 + - A100 + - A102 + - A110 + - A129 + - A133 + - A134 + - A136 + - A137 + - A138 + - A142 + - A155 + - A158 + - A165 + - A166 + - A168 + - A169 + - A184 + - A189 + - A192 + - A193 + - A205 + - A206 + - A209 + - A212 + - A215 + - A222 + - A223 + - A225 + - A226 + - A227 + - A228 + - A229 + - A230 + - A234 + - A241 + - A251 + - A257 + - A258 + - A259 + - A260 + - A271 + - A275 + - A276 +potentials: + guiding_potentials: null + guide_scale: 10 + guide_decay: constant + olig_inter_all: null + olig_intra_all: null + olig_custom_contact: null + substrate: null +contig_settings: + ref_idx: null + hal_idx: null + idx_rf: null + inpaint_seq_tensor: null +preprocess: + sidechain_input: false + motif_sidechain_input: true + d_t1d: 22 + d_t2d: 44 + prob_self_cond: 0.0 + str_self_cond: false + predict_previous: false +logging: + inputs: false +scaffoldguided: + scaffoldguided: false + target_pdb: false + target_path: null + scaffold_list: null + scaffold_dir: null + sampled_insertion: 0 + sampled_N: 0 + sampled_C: 0 + ss_mask: 0 + systematic: false + target_ss: null + target_adj: null + mask_loops: true + contig_crop: null diff --git a/RFdiffusion/outputs/2023-10-04/12-39-46/.hydra/hydra.yaml b/RFdiffusion/outputs/2023-10-04/12-39-46/.hydra/hydra.yaml new file mode 100644 index 0000000000000000000000000000000000000000..66f4ecce47d3bb0db31f81bb73effcc826a58540 --- /dev/null +++ b/RFdiffusion/outputs/2023-10-04/12-39-46/.hydra/hydra.yaml @@ -0,0 +1,161 @@ +hydra: + run: + dir: outputs/${now:%Y-%m-%d}/${now:%H-%M-%S} + sweep: + dir: multirun/${now:%Y-%m-%d}/${now:%H-%M-%S} + subdir: ${hydra.job.num} + launcher: + _target_: hydra._internal.core_plugins.basic_launcher.BasicLauncher + sweeper: + _target_: hydra._internal.core_plugins.basic_sweeper.BasicSweeper + max_batch_size: null + params: null + help: + app_name: ${hydra.job.name} + header: '${hydra.help.app_name} is powered by Hydra. + + ' + footer: 'Powered by Hydra (https://hydra.cc) + + Use --hydra-help to view Hydra specific help + + ' + template: '${hydra.help.header} + + == Configuration groups == + + Compose your configuration from those groups (group=option) + + + $APP_CONFIG_GROUPS + + + == Config == + + Override anything in the config (foo.bar=value) + + + $CONFIG + + + ${hydra.help.footer} + + ' + hydra_help: + template: 'Hydra (${hydra.runtime.version}) + + See https://hydra.cc for more info. + + + == Flags == + + $FLAGS_HELP + + + == Configuration groups == + + Compose your configuration from those groups (For example, append hydra/job_logging=disabled + to command line) + + + $HYDRA_CONFIG_GROUPS + + + Use ''--cfg hydra'' to Show the Hydra config. + + ' + hydra_help: ??? + hydra_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][HYDRA] %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + root: + level: INFO + handlers: + - console + loggers: + logging_example: + level: DEBUG + disable_existing_loggers: false + job_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][%(name)s][%(levelname)s] - %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + file: + class: logging.FileHandler + formatter: simple + filename: ${hydra.runtime.output_dir}/${hydra.job.name}.log + root: + level: INFO + handlers: + - console + - file + disable_existing_loggers: false + env: {} + mode: RUN + searchpath: [] + callbacks: {} + output_subdir: .hydra + overrides: + hydra: + - hydra.mode=RUN + task: + - inference.output_prefix=./ + - inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + - contigmap.contigs=[A46-291/0 400-400] + - ppi.hotspot_res=[A48,A64,A73,A74,A75,A76,A81,A92,A93,A94,A95,A97,A100,A102,A110,A129,A133,A134,A136,A137,A138,A142,A155,A158,A165,A166,A168,A169,A184,A189,A192,A193,A205,A206,A209,A212,A215,A222,A223,A225,A226,A227,A228,A229,A230,A234,A241,A251,A257,A258,A259,A260,A271,A275,A276] + - inference.output_prefix=testoutputs/binder_test + - inference.ckpt_override_path=models/Complex_beta_ckpt.pt + - inference.num_designs=10 + job: + name: run_inference + chdir: null + override_dirname: contigmap.contigs=[A46-291/0 400-400],inference.ckpt_override_path=models/Complex_beta_ckpt.pt,inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb,inference.num_designs=10,inference.output_prefix=./,inference.output_prefix=testoutputs/binder_test,ppi.hotspot_res=[A48,A64,A73,A74,A75,A76,A81,A92,A93,A94,A95,A97,A100,A102,A110,A129,A133,A134,A136,A137,A138,A142,A155,A158,A165,A166,A168,A169,A184,A189,A192,A193,A205,A206,A209,A212,A215,A222,A223,A225,A226,A227,A228,A229,A230,A234,A241,A251,A257,A258,A259,A260,A271,A275,A276] + id: ??? + num: ??? + config_name: base + env_set: {} + env_copy: [] + config: + override_dirname: + kv_sep: '=' + item_sep: ',' + exclude_keys: [] + runtime: + version: 1.3.2 + version_base: '1.3' + cwd: C:\Users\adminisiterlator\RFdiffusion + config_sources: + - path: hydra.conf + schema: pkg + provider: hydra + - path: C:\Users\adminisiterlator\RFdiffusion\config\inference + schema: file + provider: main + - path: '' + schema: structured + provider: schema + output_dir: C:\Users\adminisiterlator\RFdiffusion\outputs\2023-10-04\12-39-46 + choices: + hydra/env: default + hydra/callbacks: null + hydra/job_logging: default + hydra/hydra_logging: default + hydra/hydra_help: default + hydra/help: default + hydra/sweeper: basic + hydra/launcher: basic + hydra/output: default + verbose: false diff --git a/RFdiffusion/outputs/2023-10-04/12-39-46/.hydra/overrides.yaml b/RFdiffusion/outputs/2023-10-04/12-39-46/.hydra/overrides.yaml new file mode 100644 index 0000000000000000000000000000000000000000..3e7371f2165186f96ea658478c953d8b7291fd10 --- /dev/null +++ b/RFdiffusion/outputs/2023-10-04/12-39-46/.hydra/overrides.yaml @@ -0,0 +1,7 @@ +- inference.output_prefix=./ +- inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb +- contigmap.contigs=[A46-291/0 400-400] +- ppi.hotspot_res=[A48,A64,A73,A74,A75,A76,A81,A92,A93,A94,A95,A97,A100,A102,A110,A129,A133,A134,A136,A137,A138,A142,A155,A158,A165,A166,A168,A169,A184,A189,A192,A193,A205,A206,A209,A212,A215,A222,A223,A225,A226,A227,A228,A229,A230,A234,A241,A251,A257,A258,A259,A260,A271,A275,A276] +- inference.output_prefix=testoutputs/binder_test +- inference.ckpt_override_path=models/Complex_beta_ckpt.pt +- inference.num_designs=10 diff --git a/RFdiffusion/outputs/2023-10-04/12-39-46/run_inference.log b/RFdiffusion/outputs/2023-10-04/12-39-46/run_inference.log new file mode 100644 index 0000000000000000000000000000000000000000..208f125749d304d79b3e095e8829c6f031a684ee --- /dev/null +++ b/RFdiffusion/outputs/2023-10-04/12-39-46/run_inference.log @@ -0,0 +1,239 @@ +[2023-10-04 12:39:46,493][__main__][INFO] - Found GPU with device_name NVIDIA GeForce RTX 2060. Will run RFdiffusion on NVIDIA GeForce RTX 2060 +[2023-10-04 12:39:46,495][rfdiffusion.inference.model_runners][INFO] - Reading checkpoint from models/Complex_beta_ckpt.pt +[2023-10-04 12:39:51,393][rfdiffusion.inference.model_runners][INFO] - Loading checkpoint. +[2023-10-04 12:39:58,336][rfdiffusion.diffusion][INFO] - Using cached IGSO3. +[2023-10-04 12:39:58,386][__main__][INFO] - Making design testoutputs/binder_test_0 +[2023-10-04 12:39:58,387][__main__][INFO] - (cautious mode) Skipping this design because testoutputs/binder_test_0.pdb already exists. +[2023-10-04 12:39:58,387][__main__][INFO] - Making design testoutputs/binder_test_1 +[2023-10-04 12:39:58,415][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A46-291/0 400-400'] +[2023-10-04 12:39:58,553][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 12:40:28,860][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.19 +[2023-10-04 12:40:28,882][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 12:40:51,210][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.17 +[2023-10-04 12:40:51,219][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 12:41:13,302][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.17 +[2023-10-04 12:41:13,315][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 12:41:35,194][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.17 +[2023-10-04 12:41:35,205][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 12:41:57,275][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.18 +[2023-10-04 12:41:57,281][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 12:42:20,829][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.19 +[2023-10-04 12:42:20,837][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 12:42:45,371][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.18 +[2023-10-04 12:42:45,381][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 12:43:09,407][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.18 +[2023-10-04 12:43:09,415][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 12:43:34,583][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.18 +[2023-10-04 12:43:34,593][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 12:44:01,064][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.19 +[2023-10-04 12:44:01,074][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 12:44:28,761][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.19 +[2023-10-04 12:44:28,772][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 12:44:56,615][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.22 +[2023-10-04 12:44:56,626][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 12:45:24,268][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.20 +[2023-10-04 12:45:24,283][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 12:45:52,257][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.22 +[2023-10-04 12:45:52,267][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 12:46:20,819][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.24 +[2023-10-04 12:46:20,830][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 12:46:48,872][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.22 +[2023-10-04 12:46:48,882][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 12:47:18,338][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.21 +[2023-10-04 12:47:18,354][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 12:47:48,330][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.22 +[2023-10-04 12:47:48,342][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 12:48:16,853][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.23 +[2023-10-04 12:48:16,870][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 12:48:45,120][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.22 +[2023-10-04 12:48:45,139][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 12:49:15,284][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.24 +[2023-10-04 12:49:15,294][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 12:49:45,376][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.23 +[2023-10-04 12:49:45,388][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 12:50:15,464][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.24 +[2023-10-04 12:50:15,478][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 12:50:44,855][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.23 +[2023-10-04 12:50:44,869][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 12:51:14,581][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.24 +[2023-10-04 12:51:14,593][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 12:51:44,110][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.22 +[2023-10-04 12:51:44,121][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 12:52:13,580][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.22 +[2023-10-04 12:52:13,593][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 12:52:42,965][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.21 +[2023-10-04 12:52:42,976][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 12:53:12,107][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.21 +[2023-10-04 12:53:12,121][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 12:53:41,426][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.22 +[2023-10-04 12:53:41,452][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 12:54:10,721][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.22 +[2023-10-04 12:54:10,734][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 12:54:40,033][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.23 +[2023-10-04 12:54:40,047][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 12:55:09,189][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.24 +[2023-10-04 12:55:09,207][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 12:55:38,465][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.25 +[2023-10-04 12:55:38,476][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 12:56:07,790][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.24 +[2023-10-04 12:56:07,801][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 12:56:37,072][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.26 +[2023-10-04 12:56:37,094][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 12:57:06,365][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.24 +[2023-10-04 12:57:06,385][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 12:57:35,611][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.21 +[2023-10-04 12:57:35,634][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 12:58:04,849][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.21 +[2023-10-04 12:58:04,859][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 12:58:34,147][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.21 +[2023-10-04 12:58:34,167][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 12:59:03,324][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.21 +[2023-10-04 12:59:03,336][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 12:59:32,600][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.20 +[2023-10-04 12:59:32,620][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 13:00:01,781][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.19 +[2023-10-04 13:00:01,795][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 13:00:30,945][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.18 +[2023-10-04 13:00:30,960][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 13:01:00,088][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.17 +[2023-10-04 13:01:00,097][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 13:01:29,207][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.17 +[2023-10-04 13:01:29,216][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 13:01:58,305][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.17 +[2023-10-04 13:01:58,323][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 13:02:27,506][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.18 +[2023-10-04 13:02:27,525][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 13:02:56,787][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.18 +[2023-10-04 13:02:56,807][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 13:03:45,956][__main__][INFO] - Finished design in 23.79 minutes +[2023-10-04 13:03:45,957][__main__][INFO] - Making design testoutputs/binder_test_2 +[2023-10-04 13:03:46,032][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A46-291/0 400-400'] +[2023-10-04 13:03:46,214][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 13:04:11,400][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.19 +[2023-10-04 13:04:11,412][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 13:04:39,638][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.17 +[2023-10-04 13:04:39,652][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 13:05:07,839][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.17 +[2023-10-04 13:05:07,850][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 13:05:35,877][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.17 +[2023-10-04 13:05:35,887][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 13:06:04,145][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.17 +[2023-10-04 13:06:04,157][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 13:06:32,216][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.17 +[2023-10-04 13:06:32,235][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 13:07:00,237][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.17 +[2023-10-04 13:07:00,251][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 13:07:28,126][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.18 +[2023-10-04 13:07:28,138][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 13:07:56,002][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.18 +[2023-10-04 13:07:56,017][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 13:08:23,900][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.18 +[2023-10-04 13:08:23,912][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 13:08:51,779][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.17 +[2023-10-04 13:08:51,792][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 13:09:19,662][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.17 +[2023-10-04 13:09:19,675][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 13:09:47,485][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.17 +[2023-10-04 13:09:47,499][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 13:10:15,319][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.19 +[2023-10-04 13:10:15,331][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 13:10:43,199][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.18 +[2023-10-04 13:10:43,214][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 13:11:11,215][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.19 +[2023-10-04 13:11:11,223][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 13:11:39,156][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.17 +[2023-10-04 13:11:39,167][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 13:12:07,009][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.19 +[2023-10-04 13:12:07,021][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 13:12:34,882][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.18 +[2023-10-04 13:12:34,892][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 13:13:02,717][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.17 +[2023-10-04 13:13:02,726][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 13:13:30,544][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.17 +[2023-10-04 13:13:30,554][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 13:13:58,392][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.18 +[2023-10-04 13:13:58,401][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 13:14:26,272][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.18 +[2023-10-04 13:14:26,289][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 13:14:54,103][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.18 +[2023-10-04 13:14:54,112][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 13:15:21,953][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.18 +[2023-10-04 13:15:21,963][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 13:15:49,866][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.18 +[2023-10-04 13:15:49,873][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 13:16:17,637][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.18 +[2023-10-04 13:16:17,648][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 13:16:45,489][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.20 +[2023-10-04 13:16:45,500][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 13:17:13,308][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.20 +[2023-10-04 13:17:13,321][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 13:17:41,136][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.19 +[2023-10-04 13:17:41,148][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 13:18:08,993][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.19 +[2023-10-04 13:18:09,000][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 13:18:36,839][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.20 +[2023-10-04 13:18:36,860][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 13:19:04,668][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.19 +[2023-10-04 13:19:04,682][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 13:19:32,485][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.19 +[2023-10-04 13:19:32,496][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 13:20:00,287][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.19 +[2023-10-04 13:20:00,299][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 13:20:28,093][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.17 +[2023-10-04 13:20:28,105][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 13:20:55,872][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.17 +[2023-10-04 13:20:55,884][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 13:21:23,582][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.18 +[2023-10-04 13:21:23,594][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 13:21:51,390][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.17 +[2023-10-04 13:21:51,400][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 13:22:19,122][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.17 +[2023-10-04 13:22:19,133][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 13:22:46,835][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.17 +[2023-10-04 13:22:46,845][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 13:23:14,647][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.17 +[2023-10-04 13:23:14,661][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 13:23:42,410][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.16 +[2023-10-04 13:23:42,427][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 13:24:10,097][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.16 +[2023-10-04 13:24:10,110][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 13:24:37,874][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.16 +[2023-10-04 13:24:37,897][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 13:25:05,578][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.16 +[2023-10-04 13:25:05,588][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 13:25:33,196][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.16 +[2023-10-04 13:25:33,208][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 13:26:00,905][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.16 +[2023-10-04 13:26:00,921][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 13:26:28,590][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.16 +[2023-10-04 13:26:28,601][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 13:27:16,693][__main__][INFO] - Finished design in 23.51 minutes +[2023-10-04 13:27:16,694][__main__][INFO] - Making design testoutputs/binder_test_3 +[2023-10-04 13:27:16,742][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A46-291/0 400-400'] +[2023-10-04 13:27:16,876][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 13:27:43,714][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.18 +[2023-10-04 13:27:43,735][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 13:28:11,808][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.17 +[2023-10-04 13:28:11,819][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 13:28:39,924][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.17 +[2023-10-04 13:28:39,939][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 13:29:08,020][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.17 +[2023-10-04 13:29:08,029][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 13:29:36,010][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.17 +[2023-10-04 13:29:36,021][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 13:30:07,821][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.17 +[2023-10-04 13:30:07,833][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 13:32:24,543][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.17 +[2023-10-04 13:32:24,629][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 13:33:04,258][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.17 +[2023-10-04 13:33:04,271][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 13:33:43,869][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.17 +[2023-10-04 13:33:43,878][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 13:34:23,267][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.18 +[2023-10-04 13:34:23,279][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 13:35:13,406][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.19 +[2023-10-04 13:35:13,421][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 13:40:08,216][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.18 +[2023-10-04 13:40:08,298][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-04 13:44:46,432][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.20 +[2023-10-04 13:44:46,442][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL diff --git a/RFdiffusion/outputs/2023-10-10/21-21-13/.hydra/config.yaml b/RFdiffusion/outputs/2023-10-10/21-21-13/.hydra/config.yaml new file mode 100644 index 0000000000000000000000000000000000000000..76ea1b85486ec3613bcaef1140a0b8aaad2a2b04 --- /dev/null +++ b/RFdiffusion/outputs/2023-10-10/21-21-13/.hydra/config.yaml @@ -0,0 +1,125 @@ +inference: + input_pdb: C:\Users\adminisiterlator\Desktop\covid19new.pdb + num_designs: 1 + design_startnum: 0 + ckpt_override_path: null + symmetry: null + recenter: true + radius: 10.0 + model_only_neighbors: false + output_prefix: ./ + write_trajectory: true + scaffold_guided: false + model_runner: SelfConditioning + cautious: true + align_motif: true + symmetric_self_cond: true + final_step: 1 + deterministic: false + trb_save_ckpt_path: null + schedule_directory_path: null + model_directory_path: null +contigmap: + contigs: + - covid19new-1/0 100-100 + inpaint_seq: null + provide_seq: null + length: null +model: + n_extra_block: 4 + n_main_block: 32 + n_ref_block: 4 + d_msa: 256 + d_msa_full: 64 + d_pair: 128 + d_templ: 64 + n_head_msa: 8 + n_head_pair: 4 + n_head_templ: 4 + d_hidden: 32 + d_hidden_templ: 32 + p_drop: 0.15 + SE3_param_full: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 8 + l0_out_features: 8 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 32 + SE3_param_topk: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 64 + l0_out_features: 64 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 64 + freeze_track_motif: false + use_motif_timestep: false +diffuser: + T: 50 + b_0: 0.01 + b_T: 0.07 + schedule_type: linear + so3_type: igso3 + crd_scale: 0.25 + partial_T: null + so3_schedule_type: linear + min_b: 1.5 + max_b: 2.5 + min_sigma: 0.02 + max_sigma: 1.5 +denoiser: + noise_scale_ca: 1 + final_noise_scale_ca: 1 + ca_noise_schedule_type: constant + noise_scale_frame: 1 + final_noise_scale_frame: 1 + frame_noise_schedule_type: constant +ppi: + hotspot_res: null +potentials: + guiding_potentials: null + guide_scale: 10 + guide_decay: constant + olig_inter_all: null + olig_intra_all: null + olig_custom_contact: null + substrate: null +contig_settings: + ref_idx: null + hal_idx: null + idx_rf: null + inpaint_seq_tensor: null +preprocess: + sidechain_input: false + motif_sidechain_input: true + d_t1d: 22 + d_t2d: 44 + prob_self_cond: 0.0 + str_self_cond: false + predict_previous: false +logging: + inputs: false +scaffoldguided: + scaffoldguided: false + target_pdb: false + target_path: null + scaffold_list: null + scaffold_dir: null + sampled_insertion: 0 + sampled_N: 0 + sampled_C: 0 + ss_mask: 0 + systematic: false + target_ss: null + target_adj: null + mask_loops: true + contig_crop: null diff --git a/RFdiffusion/outputs/2023-10-10/21-21-13/.hydra/hydra.yaml b/RFdiffusion/outputs/2023-10-10/21-21-13/.hydra/hydra.yaml new file mode 100644 index 0000000000000000000000000000000000000000..c618e17ed9b595dc8790af35fb2b4e4a67551fbd --- /dev/null +++ b/RFdiffusion/outputs/2023-10-10/21-21-13/.hydra/hydra.yaml @@ -0,0 +1,158 @@ +hydra: + run: + dir: outputs/${now:%Y-%m-%d}/${now:%H-%M-%S} + sweep: + dir: multirun/${now:%Y-%m-%d}/${now:%H-%M-%S} + subdir: ${hydra.job.num} + launcher: + _target_: hydra._internal.core_plugins.basic_launcher.BasicLauncher + sweeper: + _target_: hydra._internal.core_plugins.basic_sweeper.BasicSweeper + max_batch_size: null + params: null + help: + app_name: ${hydra.job.name} + header: '${hydra.help.app_name} is powered by Hydra. + + ' + footer: 'Powered by Hydra (https://hydra.cc) + + Use --hydra-help to view Hydra specific help + + ' + template: '${hydra.help.header} + + == Configuration groups == + + Compose your configuration from those groups (group=option) + + + $APP_CONFIG_GROUPS + + + == Config == + + Override anything in the config (foo.bar=value) + + + $CONFIG + + + ${hydra.help.footer} + + ' + hydra_help: + template: 'Hydra (${hydra.runtime.version}) + + See https://hydra.cc for more info. + + + == Flags == + + $FLAGS_HELP + + + == Configuration groups == + + Compose your configuration from those groups (For example, append hydra/job_logging=disabled + to command line) + + + $HYDRA_CONFIG_GROUPS + + + Use ''--cfg hydra'' to Show the Hydra config. + + ' + hydra_help: ??? + hydra_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][HYDRA] %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + root: + level: INFO + handlers: + - console + loggers: + logging_example: + level: DEBUG + disable_existing_loggers: false + job_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][%(name)s][%(levelname)s] - %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + file: + class: logging.FileHandler + formatter: simple + filename: ${hydra.runtime.output_dir}/${hydra.job.name}.log + root: + level: INFO + handlers: + - console + - file + disable_existing_loggers: false + env: {} + mode: RUN + searchpath: [] + callbacks: {} + output_subdir: .hydra + overrides: + hydra: + - hydra.mode=RUN + task: + - contigmap.contigs=[covid19new-1/0 100-100] + - inference.output_prefix=./ + - inference.input_pdb=C:\Users\adminisiterlator\Desktop\covid19new.pdb + - inference.num_designs=1 + job: + name: run_inference + chdir: null + override_dirname: contigmap.contigs=[covid19new-1/0 100-100],inference.input_pdb=C:\Users\adminisiterlator\Desktop\covid19new.pdb,inference.num_designs=1,inference.output_prefix=./ + id: ??? + num: ??? + config_name: base + env_set: {} + env_copy: [] + config: + override_dirname: + kv_sep: '=' + item_sep: ',' + exclude_keys: [] + runtime: + version: 1.3.2 + version_base: '1.3' + cwd: C:\Users\adminisiterlator\RFdiffusion + config_sources: + - path: hydra.conf + schema: pkg + provider: hydra + - path: C:\Users\adminisiterlator\RFdiffusion\config\inference + schema: file + provider: main + - path: '' + schema: structured + provider: schema + output_dir: C:\Users\adminisiterlator\RFdiffusion\outputs\2023-10-10\21-21-13 + choices: + hydra/env: default + hydra/callbacks: null + hydra/job_logging: default + hydra/hydra_logging: default + hydra/hydra_help: default + hydra/help: default + hydra/sweeper: basic + hydra/launcher: basic + hydra/output: default + verbose: false diff --git a/RFdiffusion/outputs/2023-10-10/21-21-13/.hydra/overrides.yaml b/RFdiffusion/outputs/2023-10-10/21-21-13/.hydra/overrides.yaml new file mode 100644 index 0000000000000000000000000000000000000000..1e1f99aa222e90ba3ab4ed099ebf1200af23dccf --- /dev/null +++ b/RFdiffusion/outputs/2023-10-10/21-21-13/.hydra/overrides.yaml @@ -0,0 +1,4 @@ +- contigmap.contigs=[covid19new-1/0 100-100] +- inference.output_prefix=./ +- inference.input_pdb=C:\Users\adminisiterlator\Desktop\covid19new.pdb +- inference.num_designs=1 diff --git a/RFdiffusion/outputs/2023-10-10/21-21-13/run_inference.log b/RFdiffusion/outputs/2023-10-10/21-21-13/run_inference.log new file mode 100644 index 0000000000000000000000000000000000000000..74075b22fd34f3613b2cc1ef1a3521e021e70ff8 --- /dev/null +++ b/RFdiffusion/outputs/2023-10-10/21-21-13/run_inference.log @@ -0,0 +1,6 @@ +[2023-10-10 21:21:13,560][__main__][INFO] - Found GPU with device_name NVIDIA GeForce RTX 2060. Will run RFdiffusion on NVIDIA GeForce RTX 2060 +[2023-10-10 21:21:13,561][rfdiffusion.inference.model_runners][INFO] - Reading checkpoint from C:\Users\adminisiterlator\RFdiffusion\rfdiffusion\inference/../../models/Base_ckpt.pt +[2023-10-10 21:21:18,115][rfdiffusion.inference.model_runners][INFO] - Loading checkpoint. +[2023-10-10 21:21:24,439][rfdiffusion.diffusion][INFO] - Using cached IGSO3. +[2023-10-10 21:21:24,456][__main__][INFO] - Making design ./_0 +[2023-10-10 21:21:24,457][rfdiffusion.inference.model_runners][INFO] - Using contig: ['covid19new-1/0 100-100'] diff --git a/RFdiffusion/outputs/2023-10-10/21-22-17/.hydra/config.yaml b/RFdiffusion/outputs/2023-10-10/21-22-17/.hydra/config.yaml new file mode 100644 index 0000000000000000000000000000000000000000..9440905b460a5f7ac6e865888366eb4065275a40 --- /dev/null +++ b/RFdiffusion/outputs/2023-10-10/21-22-17/.hydra/config.yaml @@ -0,0 +1,125 @@ +inference: + input_pdb: C:\Users\adminisiterlator\Desktop\covid19new.pdb + num_designs: 1 + design_startnum: 0 + ckpt_override_path: null + symmetry: null + recenter: true + radius: 10.0 + model_only_neighbors: false + output_prefix: ./ + write_trajectory: true + scaffold_guided: false + model_runner: SelfConditioning + cautious: true + align_motif: true + symmetric_self_cond: true + final_step: 1 + deterministic: false + trb_save_ckpt_path: null + schedule_directory_path: null + model_directory_path: null +contigmap: + contigs: + - A-1/0 100-100 + inpaint_seq: null + provide_seq: null + length: null +model: + n_extra_block: 4 + n_main_block: 32 + n_ref_block: 4 + d_msa: 256 + d_msa_full: 64 + d_pair: 128 + d_templ: 64 + n_head_msa: 8 + n_head_pair: 4 + n_head_templ: 4 + d_hidden: 32 + d_hidden_templ: 32 + p_drop: 0.15 + SE3_param_full: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 8 + l0_out_features: 8 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 32 + SE3_param_topk: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 64 + l0_out_features: 64 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 64 + freeze_track_motif: false + use_motif_timestep: false +diffuser: + T: 50 + b_0: 0.01 + b_T: 0.07 + schedule_type: linear + so3_type: igso3 + crd_scale: 0.25 + partial_T: null + so3_schedule_type: linear + min_b: 1.5 + max_b: 2.5 + min_sigma: 0.02 + max_sigma: 1.5 +denoiser: + noise_scale_ca: 1 + final_noise_scale_ca: 1 + ca_noise_schedule_type: constant + noise_scale_frame: 1 + final_noise_scale_frame: 1 + frame_noise_schedule_type: constant +ppi: + hotspot_res: null +potentials: + guiding_potentials: null + guide_scale: 10 + guide_decay: constant + olig_inter_all: null + olig_intra_all: null + olig_custom_contact: null + substrate: null +contig_settings: + ref_idx: null + hal_idx: null + idx_rf: null + inpaint_seq_tensor: null +preprocess: + sidechain_input: false + motif_sidechain_input: true + d_t1d: 22 + d_t2d: 44 + prob_self_cond: 0.0 + str_self_cond: false + predict_previous: false +logging: + inputs: false +scaffoldguided: + scaffoldguided: false + target_pdb: false + target_path: null + scaffold_list: null + scaffold_dir: null + sampled_insertion: 0 + sampled_N: 0 + sampled_C: 0 + ss_mask: 0 + systematic: false + target_ss: null + target_adj: null + mask_loops: true + contig_crop: null diff --git a/RFdiffusion/outputs/2023-10-10/21-22-17/.hydra/hydra.yaml b/RFdiffusion/outputs/2023-10-10/21-22-17/.hydra/hydra.yaml new file mode 100644 index 0000000000000000000000000000000000000000..9dc11bc9316570c4193e529b34b700fcd45bcb4a --- /dev/null +++ b/RFdiffusion/outputs/2023-10-10/21-22-17/.hydra/hydra.yaml @@ -0,0 +1,158 @@ +hydra: + run: + dir: outputs/${now:%Y-%m-%d}/${now:%H-%M-%S} + sweep: + dir: multirun/${now:%Y-%m-%d}/${now:%H-%M-%S} + subdir: ${hydra.job.num} + launcher: + _target_: hydra._internal.core_plugins.basic_launcher.BasicLauncher + sweeper: + _target_: hydra._internal.core_plugins.basic_sweeper.BasicSweeper + max_batch_size: null + params: null + help: + app_name: ${hydra.job.name} + header: '${hydra.help.app_name} is powered by Hydra. + + ' + footer: 'Powered by Hydra (https://hydra.cc) + + Use --hydra-help to view Hydra specific help + + ' + template: '${hydra.help.header} + + == Configuration groups == + + Compose your configuration from those groups (group=option) + + + $APP_CONFIG_GROUPS + + + == Config == + + Override anything in the config (foo.bar=value) + + + $CONFIG + + + ${hydra.help.footer} + + ' + hydra_help: + template: 'Hydra (${hydra.runtime.version}) + + See https://hydra.cc for more info. + + + == Flags == + + $FLAGS_HELP + + + == Configuration groups == + + Compose your configuration from those groups (For example, append hydra/job_logging=disabled + to command line) + + + $HYDRA_CONFIG_GROUPS + + + Use ''--cfg hydra'' to Show the Hydra config. + + ' + hydra_help: ??? + hydra_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][HYDRA] %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + root: + level: INFO + handlers: + - console + loggers: + logging_example: + level: DEBUG + disable_existing_loggers: false + job_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][%(name)s][%(levelname)s] - %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + file: + class: logging.FileHandler + formatter: simple + filename: ${hydra.runtime.output_dir}/${hydra.job.name}.log + root: + level: INFO + handlers: + - console + - file + disable_existing_loggers: false + env: {} + mode: RUN + searchpath: [] + callbacks: {} + output_subdir: .hydra + overrides: + hydra: + - hydra.mode=RUN + task: + - contigmap.contigs=[A-1/0 100-100] + - inference.output_prefix=./ + - inference.input_pdb=C:\Users\adminisiterlator\Desktop\covid19new.pdb + - inference.num_designs=1 + job: + name: run_inference + chdir: null + override_dirname: contigmap.contigs=[A-1/0 100-100],inference.input_pdb=C:\Users\adminisiterlator\Desktop\covid19new.pdb,inference.num_designs=1,inference.output_prefix=./ + id: ??? + num: ??? + config_name: base + env_set: {} + env_copy: [] + config: + override_dirname: + kv_sep: '=' + item_sep: ',' + exclude_keys: [] + runtime: + version: 1.3.2 + version_base: '1.3' + cwd: C:\Users\adminisiterlator\RFdiffusion + config_sources: + - path: hydra.conf + schema: pkg + provider: hydra + - path: C:\Users\adminisiterlator\RFdiffusion\config\inference + schema: file + provider: main + - path: '' + schema: structured + provider: schema + output_dir: C:\Users\adminisiterlator\RFdiffusion\outputs\2023-10-10\21-22-17 + choices: + hydra/env: default + hydra/callbacks: null + hydra/job_logging: default + hydra/hydra_logging: default + hydra/hydra_help: default + hydra/help: default + hydra/sweeper: basic + hydra/launcher: basic + hydra/output: default + verbose: false diff --git a/RFdiffusion/outputs/2023-10-10/21-22-17/.hydra/overrides.yaml b/RFdiffusion/outputs/2023-10-10/21-22-17/.hydra/overrides.yaml new file mode 100644 index 0000000000000000000000000000000000000000..394d6beefbe4c1996fb4c589a39f2e94bc0db533 --- /dev/null +++ b/RFdiffusion/outputs/2023-10-10/21-22-17/.hydra/overrides.yaml @@ -0,0 +1,4 @@ +- contigmap.contigs=[A-1/0 100-100] +- inference.output_prefix=./ +- inference.input_pdb=C:\Users\adminisiterlator\Desktop\covid19new.pdb +- inference.num_designs=1 diff --git a/RFdiffusion/outputs/2023-10-10/21-22-17/run_inference.log b/RFdiffusion/outputs/2023-10-10/21-22-17/run_inference.log new file mode 100644 index 0000000000000000000000000000000000000000..9a9b0a318229d227f6abea0d35d2d4d2c39de8c3 --- /dev/null +++ b/RFdiffusion/outputs/2023-10-10/21-22-17/run_inference.log @@ -0,0 +1,6 @@ +[2023-10-10 21:22:17,903][__main__][INFO] - Found GPU with device_name NVIDIA GeForce RTX 2060. Will run RFdiffusion on NVIDIA GeForce RTX 2060 +[2023-10-10 21:22:17,904][rfdiffusion.inference.model_runners][INFO] - Reading checkpoint from C:\Users\adminisiterlator\RFdiffusion\rfdiffusion\inference/../../models/Base_ckpt.pt +[2023-10-10 21:22:21,925][rfdiffusion.inference.model_runners][INFO] - Loading checkpoint. +[2023-10-10 21:22:27,802][rfdiffusion.diffusion][INFO] - Using cached IGSO3. +[2023-10-10 21:22:27,809][__main__][INFO] - Making design ./_0 +[2023-10-10 21:22:27,810][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A-1/0 100-100'] diff --git a/RFdiffusion/outputs/2023-10-21/14-42-46/.hydra/config.yaml b/RFdiffusion/outputs/2023-10-21/14-42-46/.hydra/config.yaml new file mode 100644 index 0000000000000000000000000000000000000000..a679ae8dda8536888ebb497ae20715ce803f7f4f --- /dev/null +++ b/RFdiffusion/outputs/2023-10-21/14-42-46/.hydra/config.yaml @@ -0,0 +1,180 @@ +inference: + input_pdb: C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + num_designs: 1 + design_startnum: 0 + ckpt_override_path: null + symmetry: null + recenter: true + radius: 10.0 + model_only_neighbors: false + output_prefix: testoutputs/binder_test + write_trajectory: true + scaffold_guided: false + model_runner: SelfConditioning + cautious: true + align_motif: true + symmetric_self_cond: true + final_step: 1 + deterministic: false + trb_save_ckpt_path: null + schedule_directory_path: null + model_directory_path: null +contigmap: + contigs: + - A46-291/0 600-700 + inpaint_seq: null + provide_seq: null + length: null +model: + n_extra_block: 4 + n_main_block: 32 + n_ref_block: 4 + d_msa: 256 + d_msa_full: 64 + d_pair: 128 + d_templ: 64 + n_head_msa: 8 + n_head_pair: 4 + n_head_templ: 4 + d_hidden: 32 + d_hidden_templ: 32 + p_drop: 0.15 + SE3_param_full: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 8 + l0_out_features: 8 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 32 + SE3_param_topk: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 64 + l0_out_features: 64 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 64 + freeze_track_motif: false + use_motif_timestep: false +diffuser: + T: 50 + b_0: 0.01 + b_T: 0.07 + schedule_type: linear + so3_type: igso3 + crd_scale: 0.25 + partial_T: null + so3_schedule_type: linear + min_b: 1.5 + max_b: 2.5 + min_sigma: 0.02 + max_sigma: 1.5 +denoiser: + noise_scale_ca: 1 + final_noise_scale_ca: 1 + ca_noise_schedule_type: constant + noise_scale_frame: 1 + final_noise_scale_frame: 1 + frame_noise_schedule_type: constant +ppi: + hotspot_res: + - A48 + - A64 + - A73 + - A74 + - A75 + - A76 + - A81 + - A92 + - A93 + - A94 + - A95 + - A97 + - A100 + - A102 + - A110 + - A129 + - A133 + - A134 + - A136 + - A137 + - A138 + - A142 + - A155 + - A158 + - A165 + - A166 + - A168 + - A169 + - A184 + - A189 + - A192 + - A193 + - A205 + - A206 + - A209 + - A212 + - A215 + - A222 + - A223 + - A225 + - A226 + - A227 + - A228 + - A229 + - A230 + - A234 + - A241 + - A251 + - A257 + - A258 + - A259 + - A260 + - A271 + - A275 + - A276 +potentials: + guiding_potentials: null + guide_scale: 10 + guide_decay: constant + olig_inter_all: null + olig_intra_all: null + olig_custom_contact: null + substrate: null +contig_settings: + ref_idx: null + hal_idx: null + idx_rf: null + inpaint_seq_tensor: null +preprocess: + sidechain_input: false + motif_sidechain_input: true + d_t1d: 22 + d_t2d: 44 + prob_self_cond: 0.0 + str_self_cond: false + predict_previous: false +logging: + inputs: false +scaffoldguided: + scaffoldguided: false + target_pdb: false + target_path: null + scaffold_list: null + scaffold_dir: null + sampled_insertion: 0 + sampled_N: 0 + sampled_C: 0 + ss_mask: 0 + systematic: false + target_ss: null + target_adj: null + mask_loops: true + contig_crop: null diff --git a/RFdiffusion/outputs/2023-10-21/14-42-46/.hydra/hydra.yaml b/RFdiffusion/outputs/2023-10-21/14-42-46/.hydra/hydra.yaml new file mode 100644 index 0000000000000000000000000000000000000000..9d21da8996e22259b4ee66f90c62d46ff92672d0 --- /dev/null +++ b/RFdiffusion/outputs/2023-10-21/14-42-46/.hydra/hydra.yaml @@ -0,0 +1,160 @@ +hydra: + run: + dir: outputs/${now:%Y-%m-%d}/${now:%H-%M-%S} + sweep: + dir: multirun/${now:%Y-%m-%d}/${now:%H-%M-%S} + subdir: ${hydra.job.num} + launcher: + _target_: hydra._internal.core_plugins.basic_launcher.BasicLauncher + sweeper: + _target_: hydra._internal.core_plugins.basic_sweeper.BasicSweeper + max_batch_size: null + params: null + help: + app_name: ${hydra.job.name} + header: '${hydra.help.app_name} is powered by Hydra. + + ' + footer: 'Powered by Hydra (https://hydra.cc) + + Use --hydra-help to view Hydra specific help + + ' + template: '${hydra.help.header} + + == Configuration groups == + + Compose your configuration from those groups (group=option) + + + $APP_CONFIG_GROUPS + + + == Config == + + Override anything in the config (foo.bar=value) + + + $CONFIG + + + ${hydra.help.footer} + + ' + hydra_help: + template: 'Hydra (${hydra.runtime.version}) + + See https://hydra.cc for more info. + + + == Flags == + + $FLAGS_HELP + + + == Configuration groups == + + Compose your configuration from those groups (For example, append hydra/job_logging=disabled + to command line) + + + $HYDRA_CONFIG_GROUPS + + + Use ''--cfg hydra'' to Show the Hydra config. + + ' + hydra_help: ??? + hydra_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][HYDRA] %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + root: + level: INFO + handlers: + - console + loggers: + logging_example: + level: DEBUG + disable_existing_loggers: false + job_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][%(name)s][%(levelname)s] - %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + file: + class: logging.FileHandler + formatter: simple + filename: ${hydra.runtime.output_dir}/${hydra.job.name}.log + root: + level: INFO + handlers: + - console + - file + disable_existing_loggers: false + env: {} + mode: RUN + searchpath: [] + callbacks: {} + output_subdir: .hydra + overrides: + hydra: + - hydra.mode=RUN + task: + - inference.output_prefix=./ + - inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + - contigmap.contigs=[A46-291/0 600-700] + - ppi.hotspot_res=[A48,A64,A73,A74,A75,A76,A81,A92,A93,A94,A95,A97,A100,A102,A110,A129,A133,A134,A136,A137,A138,A142,A155,A158,A165,A166,A168,A169,A184,A189,A192,A193,A205,A206,A209,A212,A215,A222,A223,A225,A226,A227,A228,A229,A230,A234,A241,A251,A257,A258,A259,A260,A271,A275,A276] + - inference.output_prefix=testoutputs/binder_test + - inference.num_designs=1 + job: + name: run_inference + chdir: null + override_dirname: contigmap.contigs=[A46-291/0 600-700],inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb,inference.num_designs=1,inference.output_prefix=./,inference.output_prefix=testoutputs/binder_test,ppi.hotspot_res=[A48,A64,A73,A74,A75,A76,A81,A92,A93,A94,A95,A97,A100,A102,A110,A129,A133,A134,A136,A137,A138,A142,A155,A158,A165,A166,A168,A169,A184,A189,A192,A193,A205,A206,A209,A212,A215,A222,A223,A225,A226,A227,A228,A229,A230,A234,A241,A251,A257,A258,A259,A260,A271,A275,A276] + id: ??? + num: ??? + config_name: base + env_set: {} + env_copy: [] + config: + override_dirname: + kv_sep: '=' + item_sep: ',' + exclude_keys: [] + runtime: + version: 1.3.2 + version_base: '1.3' + cwd: C:\Users\adminisiterlator\RFdiffusion + config_sources: + - path: hydra.conf + schema: pkg + provider: hydra + - path: C:\Users\adminisiterlator\RFdiffusion\config\inference + schema: file + provider: main + - path: '' + schema: structured + provider: schema + output_dir: C:\Users\adminisiterlator\RFdiffusion\outputs\2023-10-21\14-42-46 + choices: + hydra/env: default + hydra/callbacks: null + hydra/job_logging: default + hydra/hydra_logging: default + hydra/hydra_help: default + hydra/help: default + hydra/sweeper: basic + hydra/launcher: basic + hydra/output: default + verbose: false diff --git a/RFdiffusion/outputs/2023-10-21/14-42-46/.hydra/overrides.yaml b/RFdiffusion/outputs/2023-10-21/14-42-46/.hydra/overrides.yaml new file mode 100644 index 0000000000000000000000000000000000000000..85b6c760d079d6c1f21457f19722ddb9e2ba861b --- /dev/null +++ b/RFdiffusion/outputs/2023-10-21/14-42-46/.hydra/overrides.yaml @@ -0,0 +1,6 @@ +- inference.output_prefix=./ +- inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb +- contigmap.contigs=[A46-291/0 600-700] +- ppi.hotspot_res=[A48,A64,A73,A74,A75,A76,A81,A92,A93,A94,A95,A97,A100,A102,A110,A129,A133,A134,A136,A137,A138,A142,A155,A158,A165,A166,A168,A169,A184,A189,A192,A193,A205,A206,A209,A212,A215,A222,A223,A225,A226,A227,A228,A229,A230,A234,A241,A251,A257,A258,A259,A260,A271,A275,A276] +- inference.output_prefix=testoutputs/binder_test +- inference.num_designs=1 diff --git a/RFdiffusion/outputs/2023-10-21/14-42-46/run_inference.log b/RFdiffusion/outputs/2023-10-21/14-42-46/run_inference.log new file mode 100644 index 0000000000000000000000000000000000000000..dfc0d995178c30b6a6258138cc650a92acb5a72c --- /dev/null +++ b/RFdiffusion/outputs/2023-10-21/14-42-46/run_inference.log @@ -0,0 +1,6 @@ +[2023-10-21 14:42:46,158][__main__][INFO] - Found GPU with device_name NVIDIA GeForce RTX 2060. Will run RFdiffusion on NVIDIA GeForce RTX 2060 +[2023-10-21 14:42:46,159][rfdiffusion.inference.model_runners][INFO] - Reading checkpoint from C:\Users\adminisiterlator\RFdiffusion\rfdiffusion\inference/../../models/Complex_base_ckpt.pt +[2023-10-21 14:42:51,058][rfdiffusion.inference.model_runners][INFO] - Loading checkpoint. +[2023-10-21 14:42:58,100][rfdiffusion.diffusion][INFO] - Using cached IGSO3. +[2023-10-21 14:42:58,152][__main__][INFO] - Making design testoutputs/binder_test_0 +[2023-10-21 14:42:58,153][__main__][INFO] - (cautious mode) Skipping this design because testoutputs/binder_test_0.pdb already exists. diff --git a/RFdiffusion/outputs/2023-10-21/14-44-41/.hydra/config.yaml b/RFdiffusion/outputs/2023-10-21/14-44-41/.hydra/config.yaml new file mode 100644 index 0000000000000000000000000000000000000000..f62a10fcd4cb6817441d19a5e14d5e97a64064cb --- /dev/null +++ b/RFdiffusion/outputs/2023-10-21/14-44-41/.hydra/config.yaml @@ -0,0 +1,180 @@ +inference: + input_pdb: C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + num_designs: 1 + design_startnum: 0 + ckpt_override_path: null + symmetry: null + recenter: true + radius: 10.0 + model_only_neighbors: false + output_prefix: testoutputs/binder_test + write_trajectory: true + scaffold_guided: false + model_runner: SelfConditioning + cautious: true + align_motif: true + symmetric_self_cond: true + final_step: 1 + deterministic: false + trb_save_ckpt_path: null + schedule_directory_path: null + model_directory_path: null +contigmap: + contigs: + - A46-291/0 700-700 + inpaint_seq: null + provide_seq: null + length: null +model: + n_extra_block: 4 + n_main_block: 32 + n_ref_block: 4 + d_msa: 256 + d_msa_full: 64 + d_pair: 128 + d_templ: 64 + n_head_msa: 8 + n_head_pair: 4 + n_head_templ: 4 + d_hidden: 32 + d_hidden_templ: 32 + p_drop: 0.15 + SE3_param_full: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 8 + l0_out_features: 8 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 32 + SE3_param_topk: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 64 + l0_out_features: 64 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 64 + freeze_track_motif: false + use_motif_timestep: false +diffuser: + T: 50 + b_0: 0.01 + b_T: 0.07 + schedule_type: linear + so3_type: igso3 + crd_scale: 0.25 + partial_T: null + so3_schedule_type: linear + min_b: 1.5 + max_b: 2.5 + min_sigma: 0.02 + max_sigma: 1.5 +denoiser: + noise_scale_ca: 1 + final_noise_scale_ca: 1 + ca_noise_schedule_type: constant + noise_scale_frame: 1 + final_noise_scale_frame: 1 + frame_noise_schedule_type: constant +ppi: + hotspot_res: + - A48 + - A64 + - A73 + - A74 + - A75 + - A76 + - A81 + - A92 + - A93 + - A94 + - A95 + - A97 + - A100 + - A102 + - A110 + - A129 + - A133 + - A134 + - A136 + - A137 + - A138 + - A142 + - A155 + - A158 + - A165 + - A166 + - A168 + - A169 + - A184 + - A189 + - A192 + - A193 + - A205 + - A206 + - A209 + - A212 + - A215 + - A222 + - A223 + - A225 + - A226 + - A227 + - A228 + - A229 + - A230 + - A234 + - A241 + - A251 + - A257 + - A258 + - A259 + - A260 + - A271 + - A275 + - A276 +potentials: + guiding_potentials: null + guide_scale: 10 + guide_decay: constant + olig_inter_all: null + olig_intra_all: null + olig_custom_contact: null + substrate: null +contig_settings: + ref_idx: null + hal_idx: null + idx_rf: null + inpaint_seq_tensor: null +preprocess: + sidechain_input: false + motif_sidechain_input: true + d_t1d: 22 + d_t2d: 44 + prob_self_cond: 0.0 + str_self_cond: false + predict_previous: false +logging: + inputs: false +scaffoldguided: + scaffoldguided: false + target_pdb: false + target_path: null + scaffold_list: null + scaffold_dir: null + sampled_insertion: 0 + sampled_N: 0 + sampled_C: 0 + ss_mask: 0 + systematic: false + target_ss: null + target_adj: null + mask_loops: true + contig_crop: null diff --git a/RFdiffusion/outputs/2023-10-21/14-44-41/.hydra/hydra.yaml b/RFdiffusion/outputs/2023-10-21/14-44-41/.hydra/hydra.yaml new file mode 100644 index 0000000000000000000000000000000000000000..47e9f172cfe57a2855018f7a639e175d747856e0 --- /dev/null +++ b/RFdiffusion/outputs/2023-10-21/14-44-41/.hydra/hydra.yaml @@ -0,0 +1,160 @@ +hydra: + run: + dir: outputs/${now:%Y-%m-%d}/${now:%H-%M-%S} + sweep: + dir: multirun/${now:%Y-%m-%d}/${now:%H-%M-%S} + subdir: ${hydra.job.num} + launcher: + _target_: hydra._internal.core_plugins.basic_launcher.BasicLauncher + sweeper: + _target_: hydra._internal.core_plugins.basic_sweeper.BasicSweeper + max_batch_size: null + params: null + help: + app_name: ${hydra.job.name} + header: '${hydra.help.app_name} is powered by Hydra. + + ' + footer: 'Powered by Hydra (https://hydra.cc) + + Use --hydra-help to view Hydra specific help + + ' + template: '${hydra.help.header} + + == Configuration groups == + + Compose your configuration from those groups (group=option) + + + $APP_CONFIG_GROUPS + + + == Config == + + Override anything in the config (foo.bar=value) + + + $CONFIG + + + ${hydra.help.footer} + + ' + hydra_help: + template: 'Hydra (${hydra.runtime.version}) + + See https://hydra.cc for more info. + + + == Flags == + + $FLAGS_HELP + + + == Configuration groups == + + Compose your configuration from those groups (For example, append hydra/job_logging=disabled + to command line) + + + $HYDRA_CONFIG_GROUPS + + + Use ''--cfg hydra'' to Show the Hydra config. + + ' + hydra_help: ??? + hydra_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][HYDRA] %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + root: + level: INFO + handlers: + - console + loggers: + logging_example: + level: DEBUG + disable_existing_loggers: false + job_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][%(name)s][%(levelname)s] - %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + file: + class: logging.FileHandler + formatter: simple + filename: ${hydra.runtime.output_dir}/${hydra.job.name}.log + root: + level: INFO + handlers: + - console + - file + disable_existing_loggers: false + env: {} + mode: RUN + searchpath: [] + callbacks: {} + output_subdir: .hydra + overrides: + hydra: + - hydra.mode=RUN + task: + - inference.output_prefix=./ + - inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + - contigmap.contigs=[A46-291/0 700-700] + - ppi.hotspot_res=[A48,A64,A73,A74,A75,A76,A81,A92,A93,A94,A95,A97,A100,A102,A110,A129,A133,A134,A136,A137,A138,A142,A155,A158,A165,A166,A168,A169,A184,A189,A192,A193,A205,A206,A209,A212,A215,A222,A223,A225,A226,A227,A228,A229,A230,A234,A241,A251,A257,A258,A259,A260,A271,A275,A276] + - inference.output_prefix=testoutputs/binder_test + - inference.num_designs=1 + job: + name: run_inference + chdir: null + override_dirname: contigmap.contigs=[A46-291/0 700-700],inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb,inference.num_designs=1,inference.output_prefix=./,inference.output_prefix=testoutputs/binder_test,ppi.hotspot_res=[A48,A64,A73,A74,A75,A76,A81,A92,A93,A94,A95,A97,A100,A102,A110,A129,A133,A134,A136,A137,A138,A142,A155,A158,A165,A166,A168,A169,A184,A189,A192,A193,A205,A206,A209,A212,A215,A222,A223,A225,A226,A227,A228,A229,A230,A234,A241,A251,A257,A258,A259,A260,A271,A275,A276] + id: ??? + num: ??? + config_name: base + env_set: {} + env_copy: [] + config: + override_dirname: + kv_sep: '=' + item_sep: ',' + exclude_keys: [] + runtime: + version: 1.3.2 + version_base: '1.3' + cwd: C:\Users\adminisiterlator\RFdiffusion + config_sources: + - path: hydra.conf + schema: pkg + provider: hydra + - path: C:\Users\adminisiterlator\RFdiffusion\config\inference + schema: file + provider: main + - path: '' + schema: structured + provider: schema + output_dir: C:\Users\adminisiterlator\RFdiffusion\outputs\2023-10-21\14-44-41 + choices: + hydra/env: default + hydra/callbacks: null + hydra/job_logging: default + hydra/hydra_logging: default + hydra/hydra_help: default + hydra/help: default + hydra/sweeper: basic + hydra/launcher: basic + hydra/output: default + verbose: false diff --git a/RFdiffusion/outputs/2023-10-21/14-44-41/.hydra/overrides.yaml b/RFdiffusion/outputs/2023-10-21/14-44-41/.hydra/overrides.yaml new file mode 100644 index 0000000000000000000000000000000000000000..8126dbcff1297a3dd6307ef273ee21a2f7f16342 --- /dev/null +++ b/RFdiffusion/outputs/2023-10-21/14-44-41/.hydra/overrides.yaml @@ -0,0 +1,6 @@ +- inference.output_prefix=./ +- inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb +- contigmap.contigs=[A46-291/0 700-700] +- ppi.hotspot_res=[A48,A64,A73,A74,A75,A76,A81,A92,A93,A94,A95,A97,A100,A102,A110,A129,A133,A134,A136,A137,A138,A142,A155,A158,A165,A166,A168,A169,A184,A189,A192,A193,A205,A206,A209,A212,A215,A222,A223,A225,A226,A227,A228,A229,A230,A234,A241,A251,A257,A258,A259,A260,A271,A275,A276] +- inference.output_prefix=testoutputs/binder_test +- inference.num_designs=1 diff --git a/RFdiffusion/outputs/2023-10-21/14-44-41/run_inference.log b/RFdiffusion/outputs/2023-10-21/14-44-41/run_inference.log new file mode 100644 index 0000000000000000000000000000000000000000..b5935ba422f5de8cae785278389af024860dd375 --- /dev/null +++ b/RFdiffusion/outputs/2023-10-21/14-44-41/run_inference.log @@ -0,0 +1,7 @@ +[2023-10-21 14:44:41,811][__main__][INFO] - Found GPU with device_name NVIDIA GeForce RTX 2060. Will run RFdiffusion on NVIDIA GeForce RTX 2060 +[2023-10-21 14:44:41,812][rfdiffusion.inference.model_runners][INFO] - Reading checkpoint from C:\Users\adminisiterlator\RFdiffusion\rfdiffusion\inference/../../models/Complex_base_ckpt.pt +[2023-10-21 14:44:47,074][rfdiffusion.inference.model_runners][INFO] - Loading checkpoint. +[2023-10-21 14:44:55,003][rfdiffusion.diffusion][INFO] - Using cached IGSO3. +[2023-10-21 14:44:55,043][__main__][INFO] - Making design testoutputs/binder_test_0 +[2023-10-21 14:44:55,082][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A46-291/0 700-700'] +[2023-10-21 14:44:55,239][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL diff --git a/RFdiffusion/outputs/2023-10-21/14-50-15/.hydra/config.yaml b/RFdiffusion/outputs/2023-10-21/14-50-15/.hydra/config.yaml new file mode 100644 index 0000000000000000000000000000000000000000..73dff2be03baadf281dce9e2e8bcfb9088e279ff --- /dev/null +++ b/RFdiffusion/outputs/2023-10-21/14-50-15/.hydra/config.yaml @@ -0,0 +1,180 @@ +inference: + input_pdb: C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + num_designs: 1 + design_startnum: 0 + ckpt_override_path: null + symmetry: null + recenter: true + radius: 10.0 + model_only_neighbors: false + output_prefix: testoutputs/binder_test + write_trajectory: true + scaffold_guided: false + model_runner: SelfConditioning + cautious: true + align_motif: true + symmetric_self_cond: true + final_step: 1 + deterministic: false + trb_save_ckpt_path: null + schedule_directory_path: null + model_directory_path: null +contigmap: + contigs: + - A46-291/0 600-600 + inpaint_seq: null + provide_seq: null + length: null +model: + n_extra_block: 4 + n_main_block: 32 + n_ref_block: 4 + d_msa: 256 + d_msa_full: 64 + d_pair: 128 + d_templ: 64 + n_head_msa: 8 + n_head_pair: 4 + n_head_templ: 4 + d_hidden: 32 + d_hidden_templ: 32 + p_drop: 0.15 + SE3_param_full: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 8 + l0_out_features: 8 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 32 + SE3_param_topk: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 64 + l0_out_features: 64 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 64 + freeze_track_motif: false + use_motif_timestep: false +diffuser: + T: 50 + b_0: 0.01 + b_T: 0.07 + schedule_type: linear + so3_type: igso3 + crd_scale: 0.25 + partial_T: null + so3_schedule_type: linear + min_b: 1.5 + max_b: 2.5 + min_sigma: 0.02 + max_sigma: 1.5 +denoiser: + noise_scale_ca: 1 + final_noise_scale_ca: 1 + ca_noise_schedule_type: constant + noise_scale_frame: 1 + final_noise_scale_frame: 1 + frame_noise_schedule_type: constant +ppi: + hotspot_res: + - A48 + - A64 + - A73 + - A74 + - A75 + - A76 + - A81 + - A92 + - A93 + - A94 + - A95 + - A97 + - A100 + - A102 + - A110 + - A129 + - A133 + - A134 + - A136 + - A137 + - A138 + - A142 + - A155 + - A158 + - A165 + - A166 + - A168 + - A169 + - A184 + - A189 + - A192 + - A193 + - A205 + - A206 + - A209 + - A212 + - A215 + - A222 + - A223 + - A225 + - A226 + - A227 + - A228 + - A229 + - A230 + - A234 + - A241 + - A251 + - A257 + - A258 + - A259 + - A260 + - A271 + - A275 + - A276 +potentials: + guiding_potentials: null + guide_scale: 10 + guide_decay: constant + olig_inter_all: null + olig_intra_all: null + olig_custom_contact: null + substrate: null +contig_settings: + ref_idx: null + hal_idx: null + idx_rf: null + inpaint_seq_tensor: null +preprocess: + sidechain_input: false + motif_sidechain_input: true + d_t1d: 22 + d_t2d: 44 + prob_self_cond: 0.0 + str_self_cond: false + predict_previous: false +logging: + inputs: false +scaffoldguided: + scaffoldguided: false + target_pdb: false + target_path: null + scaffold_list: null + scaffold_dir: null + sampled_insertion: 0 + sampled_N: 0 + sampled_C: 0 + ss_mask: 0 + systematic: false + target_ss: null + target_adj: null + mask_loops: true + contig_crop: null diff --git a/RFdiffusion/outputs/2023-10-21/14-50-15/.hydra/hydra.yaml b/RFdiffusion/outputs/2023-10-21/14-50-15/.hydra/hydra.yaml new file mode 100644 index 0000000000000000000000000000000000000000..5da1d295c35e8f40c9873fdb4926d7cf64b1853a --- /dev/null +++ b/RFdiffusion/outputs/2023-10-21/14-50-15/.hydra/hydra.yaml @@ -0,0 +1,160 @@ +hydra: + run: + dir: outputs/${now:%Y-%m-%d}/${now:%H-%M-%S} + sweep: + dir: multirun/${now:%Y-%m-%d}/${now:%H-%M-%S} + subdir: ${hydra.job.num} + launcher: + _target_: hydra._internal.core_plugins.basic_launcher.BasicLauncher + sweeper: + _target_: hydra._internal.core_plugins.basic_sweeper.BasicSweeper + max_batch_size: null + params: null + help: + app_name: ${hydra.job.name} + header: '${hydra.help.app_name} is powered by Hydra. + + ' + footer: 'Powered by Hydra (https://hydra.cc) + + Use --hydra-help to view Hydra specific help + + ' + template: '${hydra.help.header} + + == Configuration groups == + + Compose your configuration from those groups (group=option) + + + $APP_CONFIG_GROUPS + + + == Config == + + Override anything in the config (foo.bar=value) + + + $CONFIG + + + ${hydra.help.footer} + + ' + hydra_help: + template: 'Hydra (${hydra.runtime.version}) + + See https://hydra.cc for more info. + + + == Flags == + + $FLAGS_HELP + + + == Configuration groups == + + Compose your configuration from those groups (For example, append hydra/job_logging=disabled + to command line) + + + $HYDRA_CONFIG_GROUPS + + + Use ''--cfg hydra'' to Show the Hydra config. + + ' + hydra_help: ??? + hydra_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][HYDRA] %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + root: + level: INFO + handlers: + - console + loggers: + logging_example: + level: DEBUG + disable_existing_loggers: false + job_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][%(name)s][%(levelname)s] - %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + file: + class: logging.FileHandler + formatter: simple + filename: ${hydra.runtime.output_dir}/${hydra.job.name}.log + root: + level: INFO + handlers: + - console + - file + disable_existing_loggers: false + env: {} + mode: RUN + searchpath: [] + callbacks: {} + output_subdir: .hydra + overrides: + hydra: + - hydra.mode=RUN + task: + - inference.output_prefix=./ + - inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + - contigmap.contigs=[A46-291/0 600-600] + - ppi.hotspot_res=[A48,A64,A73,A74,A75,A76,A81,A92,A93,A94,A95,A97,A100,A102,A110,A129,A133,A134,A136,A137,A138,A142,A155,A158,A165,A166,A168,A169,A184,A189,A192,A193,A205,A206,A209,A212,A215,A222,A223,A225,A226,A227,A228,A229,A230,A234,A241,A251,A257,A258,A259,A260,A271,A275,A276] + - inference.output_prefix=testoutputs/binder_test + - inference.num_designs=1 + job: + name: run_inference + chdir: null + override_dirname: contigmap.contigs=[A46-291/0 600-600],inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb,inference.num_designs=1,inference.output_prefix=./,inference.output_prefix=testoutputs/binder_test,ppi.hotspot_res=[A48,A64,A73,A74,A75,A76,A81,A92,A93,A94,A95,A97,A100,A102,A110,A129,A133,A134,A136,A137,A138,A142,A155,A158,A165,A166,A168,A169,A184,A189,A192,A193,A205,A206,A209,A212,A215,A222,A223,A225,A226,A227,A228,A229,A230,A234,A241,A251,A257,A258,A259,A260,A271,A275,A276] + id: ??? + num: ??? + config_name: base + env_set: {} + env_copy: [] + config: + override_dirname: + kv_sep: '=' + item_sep: ',' + exclude_keys: [] + runtime: + version: 1.3.2 + version_base: '1.3' + cwd: C:\Users\adminisiterlator\RFdiffusion + config_sources: + - path: hydra.conf + schema: pkg + provider: hydra + - path: C:\Users\adminisiterlator\RFdiffusion\config\inference + schema: file + provider: main + - path: '' + schema: structured + provider: schema + output_dir: C:\Users\adminisiterlator\RFdiffusion\outputs\2023-10-21\14-50-15 + choices: + hydra/env: default + hydra/callbacks: null + hydra/job_logging: default + hydra/hydra_logging: default + hydra/hydra_help: default + hydra/help: default + hydra/sweeper: basic + hydra/launcher: basic + hydra/output: default + verbose: false diff --git a/RFdiffusion/outputs/2023-10-21/14-50-15/.hydra/overrides.yaml b/RFdiffusion/outputs/2023-10-21/14-50-15/.hydra/overrides.yaml new file mode 100644 index 0000000000000000000000000000000000000000..751d612a31bf7e2353f5d109b76a00c991625559 --- /dev/null +++ b/RFdiffusion/outputs/2023-10-21/14-50-15/.hydra/overrides.yaml @@ -0,0 +1,6 @@ +- inference.output_prefix=./ +- inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb +- contigmap.contigs=[A46-291/0 600-600] +- ppi.hotspot_res=[A48,A64,A73,A74,A75,A76,A81,A92,A93,A94,A95,A97,A100,A102,A110,A129,A133,A134,A136,A137,A138,A142,A155,A158,A165,A166,A168,A169,A184,A189,A192,A193,A205,A206,A209,A212,A215,A222,A223,A225,A226,A227,A228,A229,A230,A234,A241,A251,A257,A258,A259,A260,A271,A275,A276] +- inference.output_prefix=testoutputs/binder_test +- inference.num_designs=1 diff --git a/RFdiffusion/outputs/2023-10-21/14-50-15/run_inference.log b/RFdiffusion/outputs/2023-10-21/14-50-15/run_inference.log new file mode 100644 index 0000000000000000000000000000000000000000..7d074157e40cc36b9293a23f1cb98a574af839c8 --- /dev/null +++ b/RFdiffusion/outputs/2023-10-21/14-50-15/run_inference.log @@ -0,0 +1,7 @@ +[2023-10-21 14:50:15,717][__main__][INFO] - Found GPU with device_name NVIDIA GeForce RTX 2060. Will run RFdiffusion on NVIDIA GeForce RTX 2060 +[2023-10-21 14:50:15,718][rfdiffusion.inference.model_runners][INFO] - Reading checkpoint from C:\Users\adminisiterlator\RFdiffusion\rfdiffusion\inference/../../models/Complex_base_ckpt.pt +[2023-10-21 14:50:19,818][rfdiffusion.inference.model_runners][INFO] - Loading checkpoint. +[2023-10-21 14:50:25,446][rfdiffusion.diffusion][INFO] - Using cached IGSO3. +[2023-10-21 14:50:25,481][__main__][INFO] - Making design testoutputs/binder_test_0 +[2023-10-21 14:50:25,508][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A46-291/0 600-600'] +[2023-10-21 14:50:25,629][rfdiffusion.inference.model_runners][INFO] - Sequence init: ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL diff --git a/RFdiffusion/outputs/2023-10-21/14-53-22/.hydra/config.yaml b/RFdiffusion/outputs/2023-10-21/14-53-22/.hydra/config.yaml new file mode 100644 index 0000000000000000000000000000000000000000..cb2227d38c2761ec1819695e26b1d14d4e913800 --- /dev/null +++ b/RFdiffusion/outputs/2023-10-21/14-53-22/.hydra/config.yaml @@ -0,0 +1,180 @@ +inference: + input_pdb: C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + num_designs: 1 + design_startnum: 0 + ckpt_override_path: null + symmetry: null + recenter: true + radius: 10.0 + model_only_neighbors: false + output_prefix: testoutputs/binder_test + write_trajectory: true + scaffold_guided: false + model_runner: SelfConditioning + cautious: true + align_motif: true + symmetric_self_cond: true + final_step: 1 + deterministic: false + trb_save_ckpt_path: null + schedule_directory_path: null + model_directory_path: null +contigmap: + contigs: + - A46-291/0 500-500 + inpaint_seq: null + provide_seq: null + length: null +model: + n_extra_block: 4 + n_main_block: 32 + n_ref_block: 4 + d_msa: 256 + d_msa_full: 64 + d_pair: 128 + d_templ: 64 + n_head_msa: 8 + n_head_pair: 4 + n_head_templ: 4 + d_hidden: 32 + d_hidden_templ: 32 + p_drop: 0.15 + SE3_param_full: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 8 + l0_out_features: 8 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 32 + SE3_param_topk: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 64 + l0_out_features: 64 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 64 + freeze_track_motif: false + use_motif_timestep: false +diffuser: + T: 50 + b_0: 0.01 + b_T: 0.07 + schedule_type: linear + so3_type: igso3 + crd_scale: 0.25 + partial_T: null + so3_schedule_type: linear + min_b: 1.5 + max_b: 2.5 + min_sigma: 0.02 + max_sigma: 1.5 +denoiser: + noise_scale_ca: 1 + final_noise_scale_ca: 1 + ca_noise_schedule_type: constant + noise_scale_frame: 1 + final_noise_scale_frame: 1 + frame_noise_schedule_type: constant +ppi: + hotspot_res: + - A48 + - A64 + - A73 + - A74 + - A75 + - A76 + - A81 + - A92 + - A93 + - A94 + - A95 + - A97 + - A100 + - A102 + - A110 + - A129 + - A133 + - A134 + - A136 + - A137 + - A138 + - A142 + - A155 + - A158 + - A165 + - A166 + - A168 + - A169 + - A184 + - A189 + - A192 + - A193 + - A205 + - A206 + - A209 + - A212 + - A215 + - A222 + - A223 + - A225 + - A226 + - A227 + - A228 + - A229 + - A230 + - A234 + - A241 + - A251 + - A257 + - A258 + - A259 + - A260 + - A271 + - A275 + - A276 +potentials: + guiding_potentials: null + guide_scale: 10 + guide_decay: constant + olig_inter_all: null + olig_intra_all: null + olig_custom_contact: null + substrate: null +contig_settings: + ref_idx: null + hal_idx: null + idx_rf: null + inpaint_seq_tensor: null +preprocess: + sidechain_input: false + motif_sidechain_input: true + d_t1d: 22 + d_t2d: 44 + prob_self_cond: 0.0 + str_self_cond: false + predict_previous: false +logging: + inputs: false +scaffoldguided: + scaffoldguided: false + target_pdb: false + target_path: null + scaffold_list: null + scaffold_dir: null + sampled_insertion: 0 + sampled_N: 0 + sampled_C: 0 + ss_mask: 0 + systematic: false + target_ss: null + target_adj: null + mask_loops: true + contig_crop: null diff --git a/RFdiffusion/outputs/2023-10-21/14-53-22/.hydra/hydra.yaml b/RFdiffusion/outputs/2023-10-21/14-53-22/.hydra/hydra.yaml new file mode 100644 index 0000000000000000000000000000000000000000..2d0e118858c0f0501faf633c287813df7f593bd3 --- /dev/null +++ b/RFdiffusion/outputs/2023-10-21/14-53-22/.hydra/hydra.yaml @@ -0,0 +1,160 @@ +hydra: + run: + dir: outputs/${now:%Y-%m-%d}/${now:%H-%M-%S} + sweep: + dir: multirun/${now:%Y-%m-%d}/${now:%H-%M-%S} + subdir: ${hydra.job.num} + launcher: + _target_: hydra._internal.core_plugins.basic_launcher.BasicLauncher + sweeper: + _target_: hydra._internal.core_plugins.basic_sweeper.BasicSweeper + max_batch_size: null + params: null + help: + app_name: ${hydra.job.name} + header: '${hydra.help.app_name} is powered by Hydra. + + ' + footer: 'Powered by Hydra (https://hydra.cc) + + Use --hydra-help to view Hydra specific help + + ' + template: '${hydra.help.header} + + == Configuration groups == + + Compose your configuration from those groups (group=option) + + + $APP_CONFIG_GROUPS + + + == Config == + + Override anything in the config (foo.bar=value) + + + $CONFIG + + + ${hydra.help.footer} + + ' + hydra_help: + template: 'Hydra (${hydra.runtime.version}) + + See https://hydra.cc for more info. + + + == Flags == + + $FLAGS_HELP + + + == Configuration groups == + + Compose your configuration from those groups (For example, append hydra/job_logging=disabled + to command line) + + + $HYDRA_CONFIG_GROUPS + + + Use ''--cfg hydra'' to Show the Hydra config. + + ' + hydra_help: ??? + hydra_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][HYDRA] %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + root: + level: INFO + handlers: + - console + loggers: + logging_example: + level: DEBUG + disable_existing_loggers: false + job_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][%(name)s][%(levelname)s] - %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + file: + class: logging.FileHandler + formatter: simple + filename: ${hydra.runtime.output_dir}/${hydra.job.name}.log + root: + level: INFO + handlers: + - console + - file + disable_existing_loggers: false + env: {} + mode: RUN + searchpath: [] + callbacks: {} + output_subdir: .hydra + overrides: + hydra: + - hydra.mode=RUN + task: + - inference.output_prefix=./ + - inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + - contigmap.contigs=[A46-291/0 500-500] + - ppi.hotspot_res=[A48,A64,A73,A74,A75,A76,A81,A92,A93,A94,A95,A97,A100,A102,A110,A129,A133,A134,A136,A137,A138,A142,A155,A158,A165,A166,A168,A169,A184,A189,A192,A193,A205,A206,A209,A212,A215,A222,A223,A225,A226,A227,A228,A229,A230,A234,A241,A251,A257,A258,A259,A260,A271,A275,A276] + - inference.output_prefix=testoutputs/binder_test + - inference.num_designs=1 + job: + name: run_inference + chdir: null + override_dirname: contigmap.contigs=[A46-291/0 500-500],inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb,inference.num_designs=1,inference.output_prefix=./,inference.output_prefix=testoutputs/binder_test,ppi.hotspot_res=[A48,A64,A73,A74,A75,A76,A81,A92,A93,A94,A95,A97,A100,A102,A110,A129,A133,A134,A136,A137,A138,A142,A155,A158,A165,A166,A168,A169,A184,A189,A192,A193,A205,A206,A209,A212,A215,A222,A223,A225,A226,A227,A228,A229,A230,A234,A241,A251,A257,A258,A259,A260,A271,A275,A276] + id: ??? + num: ??? + config_name: base + env_set: {} + env_copy: [] + config: + override_dirname: + kv_sep: '=' + item_sep: ',' + exclude_keys: [] + runtime: + version: 1.3.2 + version_base: '1.3' + cwd: C:\Users\adminisiterlator\RFdiffusion + config_sources: + - path: hydra.conf + schema: pkg + provider: hydra + - path: C:\Users\adminisiterlator\RFdiffusion\config\inference + schema: file + provider: main + - path: '' + schema: structured + provider: schema + output_dir: C:\Users\adminisiterlator\RFdiffusion\outputs\2023-10-21\14-53-22 + choices: + hydra/env: default + hydra/callbacks: null + hydra/job_logging: default + hydra/hydra_logging: default + hydra/hydra_help: default + hydra/help: default + hydra/sweeper: basic + hydra/launcher: basic + hydra/output: default + verbose: false diff --git a/RFdiffusion/outputs/2023-10-21/14-53-22/.hydra/overrides.yaml b/RFdiffusion/outputs/2023-10-21/14-53-22/.hydra/overrides.yaml new file mode 100644 index 0000000000000000000000000000000000000000..4f5fe0f6a3297e9ea2d7a37bac0cb485a61feba4 --- /dev/null +++ b/RFdiffusion/outputs/2023-10-21/14-53-22/.hydra/overrides.yaml @@ -0,0 +1,6 @@ +- inference.output_prefix=./ +- inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb +- contigmap.contigs=[A46-291/0 500-500] +- ppi.hotspot_res=[A48,A64,A73,A74,A75,A76,A81,A92,A93,A94,A95,A97,A100,A102,A110,A129,A133,A134,A136,A137,A138,A142,A155,A158,A165,A166,A168,A169,A184,A189,A192,A193,A205,A206,A209,A212,A215,A222,A223,A225,A226,A227,A228,A229,A230,A234,A241,A251,A257,A258,A259,A260,A271,A275,A276] +- inference.output_prefix=testoutputs/binder_test +- inference.num_designs=1 diff --git a/RFdiffusion/outputs/2023-10-21/14-53-22/run_inference.log b/RFdiffusion/outputs/2023-10-21/14-53-22/run_inference.log new file mode 100644 index 0000000000000000000000000000000000000000..548da5e48d05ab9e47866775336100fb715b90b5 --- /dev/null +++ b/RFdiffusion/outputs/2023-10-21/14-53-22/run_inference.log @@ -0,0 +1,7 @@ +[2023-10-21 14:53:22,476][__main__][INFO] - Found GPU with device_name NVIDIA GeForce RTX 2060. Will run RFdiffusion on NVIDIA GeForce RTX 2060 +[2023-10-21 14:53:22,477][rfdiffusion.inference.model_runners][INFO] - Reading checkpoint from C:\Users\adminisiterlator\RFdiffusion\rfdiffusion\inference/../../models/Complex_base_ckpt.pt +[2023-10-21 14:53:26,639][rfdiffusion.inference.model_runners][INFO] - Loading checkpoint. +[2023-10-21 14:53:32,105][rfdiffusion.diffusion][INFO] - Using cached IGSO3. +[2023-10-21 14:53:32,140][__main__][INFO] - Making design testoutputs/binder_test_0 +[2023-10-21 14:53:32,169][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A46-291/0 500-500'] +[2023-10-21 14:53:32,284][rfdiffusion.inference.model_runners][INFO] - Sequence init: --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL diff --git a/RFdiffusion/outputs/2023-10-21/14-54-41/.hydra/config.yaml b/RFdiffusion/outputs/2023-10-21/14-54-41/.hydra/config.yaml new file mode 100644 index 0000000000000000000000000000000000000000..b0c3f9e70b64c0fa44d014a91a41a40361673a1a --- /dev/null +++ b/RFdiffusion/outputs/2023-10-21/14-54-41/.hydra/config.yaml @@ -0,0 +1,180 @@ +inference: + input_pdb: C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + num_designs: 1 + design_startnum: 0 + ckpt_override_path: null + symmetry: null + recenter: true + radius: 10.0 + model_only_neighbors: false + output_prefix: testoutputs/binder_test + write_trajectory: true + scaffold_guided: false + model_runner: SelfConditioning + cautious: true + align_motif: true + symmetric_self_cond: true + final_step: 1 + deterministic: false + trb_save_ckpt_path: null + schedule_directory_path: null + model_directory_path: null +contigmap: + contigs: + - A46-291/0 400-400 + inpaint_seq: null + provide_seq: null + length: null +model: + n_extra_block: 4 + n_main_block: 32 + n_ref_block: 4 + d_msa: 256 + d_msa_full: 64 + d_pair: 128 + d_templ: 64 + n_head_msa: 8 + n_head_pair: 4 + n_head_templ: 4 + d_hidden: 32 + d_hidden_templ: 32 + p_drop: 0.15 + SE3_param_full: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 8 + l0_out_features: 8 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 32 + SE3_param_topk: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 64 + l0_out_features: 64 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 64 + freeze_track_motif: false + use_motif_timestep: false +diffuser: + T: 50 + b_0: 0.01 + b_T: 0.07 + schedule_type: linear + so3_type: igso3 + crd_scale: 0.25 + partial_T: null + so3_schedule_type: linear + min_b: 1.5 + max_b: 2.5 + min_sigma: 0.02 + max_sigma: 1.5 +denoiser: + noise_scale_ca: 1 + final_noise_scale_ca: 1 + ca_noise_schedule_type: constant + noise_scale_frame: 1 + final_noise_scale_frame: 1 + frame_noise_schedule_type: constant +ppi: + hotspot_res: + - A48 + - A64 + - A73 + - A74 + - A75 + - A76 + - A81 + - A92 + - A93 + - A94 + - A95 + - A97 + - A100 + - A102 + - A110 + - A129 + - A133 + - A134 + - A136 + - A137 + - A138 + - A142 + - A155 + - A158 + - A165 + - A166 + - A168 + - A169 + - A184 + - A189 + - A192 + - A193 + - A205 + - A206 + - A209 + - A212 + - A215 + - A222 + - A223 + - A225 + - A226 + - A227 + - A228 + - A229 + - A230 + - A234 + - A241 + - A251 + - A257 + - A258 + - A259 + - A260 + - A271 + - A275 + - A276 +potentials: + guiding_potentials: null + guide_scale: 10 + guide_decay: constant + olig_inter_all: null + olig_intra_all: null + olig_custom_contact: null + substrate: null +contig_settings: + ref_idx: null + hal_idx: null + idx_rf: null + inpaint_seq_tensor: null +preprocess: + sidechain_input: false + motif_sidechain_input: true + d_t1d: 22 + d_t2d: 44 + prob_self_cond: 0.0 + str_self_cond: false + predict_previous: false +logging: + inputs: false +scaffoldguided: + scaffoldguided: false + target_pdb: false + target_path: null + scaffold_list: null + scaffold_dir: null + sampled_insertion: 0 + sampled_N: 0 + sampled_C: 0 + ss_mask: 0 + systematic: false + target_ss: null + target_adj: null + mask_loops: true + contig_crop: null diff --git a/RFdiffusion/outputs/2023-10-21/14-54-41/.hydra/hydra.yaml b/RFdiffusion/outputs/2023-10-21/14-54-41/.hydra/hydra.yaml new file mode 100644 index 0000000000000000000000000000000000000000..831869156eacb15b966e520b14cf795e6717ccb0 --- /dev/null +++ b/RFdiffusion/outputs/2023-10-21/14-54-41/.hydra/hydra.yaml @@ -0,0 +1,160 @@ +hydra: + run: + dir: outputs/${now:%Y-%m-%d}/${now:%H-%M-%S} + sweep: + dir: multirun/${now:%Y-%m-%d}/${now:%H-%M-%S} + subdir: ${hydra.job.num} + launcher: + _target_: hydra._internal.core_plugins.basic_launcher.BasicLauncher + sweeper: + _target_: hydra._internal.core_plugins.basic_sweeper.BasicSweeper + max_batch_size: null + params: null + help: + app_name: ${hydra.job.name} + header: '${hydra.help.app_name} is powered by Hydra. + + ' + footer: 'Powered by Hydra (https://hydra.cc) + + Use --hydra-help to view Hydra specific help + + ' + template: '${hydra.help.header} + + == Configuration groups == + + Compose your configuration from those groups (group=option) + + + $APP_CONFIG_GROUPS + + + == Config == + + Override anything in the config (foo.bar=value) + + + $CONFIG + + + ${hydra.help.footer} + + ' + hydra_help: + template: 'Hydra (${hydra.runtime.version}) + + See https://hydra.cc for more info. + + + == Flags == + + $FLAGS_HELP + + + == Configuration groups == + + Compose your configuration from those groups (For example, append hydra/job_logging=disabled + to command line) + + + $HYDRA_CONFIG_GROUPS + + + Use ''--cfg hydra'' to Show the Hydra config. + + ' + hydra_help: ??? + hydra_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][HYDRA] %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + root: + level: INFO + handlers: + - console + loggers: + logging_example: + level: DEBUG + disable_existing_loggers: false + job_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][%(name)s][%(levelname)s] - %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + file: + class: logging.FileHandler + formatter: simple + filename: ${hydra.runtime.output_dir}/${hydra.job.name}.log + root: + level: INFO + handlers: + - console + - file + disable_existing_loggers: false + env: {} + mode: RUN + searchpath: [] + callbacks: {} + output_subdir: .hydra + overrides: + hydra: + - hydra.mode=RUN + task: + - inference.output_prefix=./ + - inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + - contigmap.contigs=[A46-291/0 400-400] + - ppi.hotspot_res=[A48,A64,A73,A74,A75,A76,A81,A92,A93,A94,A95,A97,A100,A102,A110,A129,A133,A134,A136,A137,A138,A142,A155,A158,A165,A166,A168,A169,A184,A189,A192,A193,A205,A206,A209,A212,A215,A222,A223,A225,A226,A227,A228,A229,A230,A234,A241,A251,A257,A258,A259,A260,A271,A275,A276] + - inference.output_prefix=testoutputs/binder_test + - inference.num_designs=1 + job: + name: run_inference + chdir: null + override_dirname: contigmap.contigs=[A46-291/0 400-400],inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb,inference.num_designs=1,inference.output_prefix=./,inference.output_prefix=testoutputs/binder_test,ppi.hotspot_res=[A48,A64,A73,A74,A75,A76,A81,A92,A93,A94,A95,A97,A100,A102,A110,A129,A133,A134,A136,A137,A138,A142,A155,A158,A165,A166,A168,A169,A184,A189,A192,A193,A205,A206,A209,A212,A215,A222,A223,A225,A226,A227,A228,A229,A230,A234,A241,A251,A257,A258,A259,A260,A271,A275,A276] + id: ??? + num: ??? + config_name: base + env_set: {} + env_copy: [] + config: + override_dirname: + kv_sep: '=' + item_sep: ',' + exclude_keys: [] + runtime: + version: 1.3.2 + version_base: '1.3' + cwd: C:\Users\adminisiterlator\RFdiffusion + config_sources: + - path: hydra.conf + schema: pkg + provider: hydra + - path: C:\Users\adminisiterlator\RFdiffusion\config\inference + schema: file + provider: main + - path: '' + schema: structured + provider: schema + output_dir: C:\Users\adminisiterlator\RFdiffusion\outputs\2023-10-21\14-54-41 + choices: + hydra/env: default + hydra/callbacks: null + hydra/job_logging: default + hydra/hydra_logging: default + hydra/hydra_help: default + hydra/help: default + hydra/sweeper: basic + hydra/launcher: basic + hydra/output: default + verbose: false diff --git a/RFdiffusion/outputs/2023-10-21/14-54-41/.hydra/overrides.yaml b/RFdiffusion/outputs/2023-10-21/14-54-41/.hydra/overrides.yaml new file mode 100644 index 0000000000000000000000000000000000000000..9df9e7e30a8c96b9dbc76d4592c9ab98d5a8f14f --- /dev/null +++ b/RFdiffusion/outputs/2023-10-21/14-54-41/.hydra/overrides.yaml @@ -0,0 +1,6 @@ +- inference.output_prefix=./ +- inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb +- contigmap.contigs=[A46-291/0 400-400] +- ppi.hotspot_res=[A48,A64,A73,A74,A75,A76,A81,A92,A93,A94,A95,A97,A100,A102,A110,A129,A133,A134,A136,A137,A138,A142,A155,A158,A165,A166,A168,A169,A184,A189,A192,A193,A205,A206,A209,A212,A215,A222,A223,A225,A226,A227,A228,A229,A230,A234,A241,A251,A257,A258,A259,A260,A271,A275,A276] +- inference.output_prefix=testoutputs/binder_test +- inference.num_designs=1 diff --git a/RFdiffusion/outputs/2023-10-21/14-54-41/run_inference.log b/RFdiffusion/outputs/2023-10-21/14-54-41/run_inference.log new file mode 100644 index 0000000000000000000000000000000000000000..746fce5bfbd6f00da1de9af0b6d37e8c758dff0a --- /dev/null +++ b/RFdiffusion/outputs/2023-10-21/14-54-41/run_inference.log @@ -0,0 +1,7 @@ +[2023-10-21 14:54:41,990][__main__][INFO] - Found GPU with device_name NVIDIA GeForce RTX 2060. Will run RFdiffusion on NVIDIA GeForce RTX 2060 +[2023-10-21 14:54:41,991][rfdiffusion.inference.model_runners][INFO] - Reading checkpoint from C:\Users\adminisiterlator\RFdiffusion\rfdiffusion\inference/../../models/Complex_base_ckpt.pt +[2023-10-21 14:54:46,164][rfdiffusion.inference.model_runners][INFO] - Loading checkpoint. +[2023-10-21 14:54:51,848][rfdiffusion.diffusion][INFO] - Using cached IGSO3. +[2023-10-21 14:54:51,884][__main__][INFO] - Making design testoutputs/binder_test_0 +[2023-10-21 14:54:51,912][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A46-291/0 400-400'] +[2023-10-21 14:54:52,015][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL diff --git a/RFdiffusion/outputs/2023-10-21/14-59-31/.hydra/config.yaml b/RFdiffusion/outputs/2023-10-21/14-59-31/.hydra/config.yaml new file mode 100644 index 0000000000000000000000000000000000000000..b0c3f9e70b64c0fa44d014a91a41a40361673a1a --- /dev/null +++ b/RFdiffusion/outputs/2023-10-21/14-59-31/.hydra/config.yaml @@ -0,0 +1,180 @@ +inference: + input_pdb: C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + num_designs: 1 + design_startnum: 0 + ckpt_override_path: null + symmetry: null + recenter: true + radius: 10.0 + model_only_neighbors: false + output_prefix: testoutputs/binder_test + write_trajectory: true + scaffold_guided: false + model_runner: SelfConditioning + cautious: true + align_motif: true + symmetric_self_cond: true + final_step: 1 + deterministic: false + trb_save_ckpt_path: null + schedule_directory_path: null + model_directory_path: null +contigmap: + contigs: + - A46-291/0 400-400 + inpaint_seq: null + provide_seq: null + length: null +model: + n_extra_block: 4 + n_main_block: 32 + n_ref_block: 4 + d_msa: 256 + d_msa_full: 64 + d_pair: 128 + d_templ: 64 + n_head_msa: 8 + n_head_pair: 4 + n_head_templ: 4 + d_hidden: 32 + d_hidden_templ: 32 + p_drop: 0.15 + SE3_param_full: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 8 + l0_out_features: 8 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 32 + SE3_param_topk: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 64 + l0_out_features: 64 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 64 + freeze_track_motif: false + use_motif_timestep: false +diffuser: + T: 50 + b_0: 0.01 + b_T: 0.07 + schedule_type: linear + so3_type: igso3 + crd_scale: 0.25 + partial_T: null + so3_schedule_type: linear + min_b: 1.5 + max_b: 2.5 + min_sigma: 0.02 + max_sigma: 1.5 +denoiser: + noise_scale_ca: 1 + final_noise_scale_ca: 1 + ca_noise_schedule_type: constant + noise_scale_frame: 1 + final_noise_scale_frame: 1 + frame_noise_schedule_type: constant +ppi: + hotspot_res: + - A48 + - A64 + - A73 + - A74 + - A75 + - A76 + - A81 + - A92 + - A93 + - A94 + - A95 + - A97 + - A100 + - A102 + - A110 + - A129 + - A133 + - A134 + - A136 + - A137 + - A138 + - A142 + - A155 + - A158 + - A165 + - A166 + - A168 + - A169 + - A184 + - A189 + - A192 + - A193 + - A205 + - A206 + - A209 + - A212 + - A215 + - A222 + - A223 + - A225 + - A226 + - A227 + - A228 + - A229 + - A230 + - A234 + - A241 + - A251 + - A257 + - A258 + - A259 + - A260 + - A271 + - A275 + - A276 +potentials: + guiding_potentials: null + guide_scale: 10 + guide_decay: constant + olig_inter_all: null + olig_intra_all: null + olig_custom_contact: null + substrate: null +contig_settings: + ref_idx: null + hal_idx: null + idx_rf: null + inpaint_seq_tensor: null +preprocess: + sidechain_input: false + motif_sidechain_input: true + d_t1d: 22 + d_t2d: 44 + prob_self_cond: 0.0 + str_self_cond: false + predict_previous: false +logging: + inputs: false +scaffoldguided: + scaffoldguided: false + target_pdb: false + target_path: null + scaffold_list: null + scaffold_dir: null + sampled_insertion: 0 + sampled_N: 0 + sampled_C: 0 + ss_mask: 0 + systematic: false + target_ss: null + target_adj: null + mask_loops: true + contig_crop: null diff --git a/RFdiffusion/outputs/2023-10-21/14-59-31/.hydra/hydra.yaml b/RFdiffusion/outputs/2023-10-21/14-59-31/.hydra/hydra.yaml new file mode 100644 index 0000000000000000000000000000000000000000..6e2d42f1666d12a2b02f5903decae4ef49e8017f --- /dev/null +++ b/RFdiffusion/outputs/2023-10-21/14-59-31/.hydra/hydra.yaml @@ -0,0 +1,160 @@ +hydra: + run: + dir: outputs/${now:%Y-%m-%d}/${now:%H-%M-%S} + sweep: + dir: multirun/${now:%Y-%m-%d}/${now:%H-%M-%S} + subdir: ${hydra.job.num} + launcher: + _target_: hydra._internal.core_plugins.basic_launcher.BasicLauncher + sweeper: + _target_: hydra._internal.core_plugins.basic_sweeper.BasicSweeper + max_batch_size: null + params: null + help: + app_name: ${hydra.job.name} + header: '${hydra.help.app_name} is powered by Hydra. + + ' + footer: 'Powered by Hydra (https://hydra.cc) + + Use --hydra-help to view Hydra specific help + + ' + template: '${hydra.help.header} + + == Configuration groups == + + Compose your configuration from those groups (group=option) + + + $APP_CONFIG_GROUPS + + + == Config == + + Override anything in the config (foo.bar=value) + + + $CONFIG + + + ${hydra.help.footer} + + ' + hydra_help: + template: 'Hydra (${hydra.runtime.version}) + + See https://hydra.cc for more info. + + + == Flags == + + $FLAGS_HELP + + + == Configuration groups == + + Compose your configuration from those groups (For example, append hydra/job_logging=disabled + to command line) + + + $HYDRA_CONFIG_GROUPS + + + Use ''--cfg hydra'' to Show the Hydra config. + + ' + hydra_help: ??? + hydra_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][HYDRA] %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + root: + level: INFO + handlers: + - console + loggers: + logging_example: + level: DEBUG + disable_existing_loggers: false + job_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][%(name)s][%(levelname)s] - %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + file: + class: logging.FileHandler + formatter: simple + filename: ${hydra.runtime.output_dir}/${hydra.job.name}.log + root: + level: INFO + handlers: + - console + - file + disable_existing_loggers: false + env: {} + mode: RUN + searchpath: [] + callbacks: {} + output_subdir: .hydra + overrides: + hydra: + - hydra.mode=RUN + task: + - inference.output_prefix=./ + - inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + - contigmap.contigs=[A46-291/0 400-400] + - ppi.hotspot_res=[A48,A64,A73,A74,A75,A76,A81,A92,A93,A94,A95,A97,A100,A102,A110,A129,A133,A134,A136,A137,A138,A142,A155,A158,A165,A166,A168,A169,A184,A189,A192,A193,A205,A206,A209,A212,A215,A222,A223,A225,A226,A227,A228,A229,A230,A234,A241,A251,A257,A258,A259,A260,A271,A275,A276] + - inference.output_prefix=testoutputs/binder_test + - inference.num_designs=1 + job: + name: run_inference + chdir: null + override_dirname: contigmap.contigs=[A46-291/0 400-400],inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb,inference.num_designs=1,inference.output_prefix=./,inference.output_prefix=testoutputs/binder_test,ppi.hotspot_res=[A48,A64,A73,A74,A75,A76,A81,A92,A93,A94,A95,A97,A100,A102,A110,A129,A133,A134,A136,A137,A138,A142,A155,A158,A165,A166,A168,A169,A184,A189,A192,A193,A205,A206,A209,A212,A215,A222,A223,A225,A226,A227,A228,A229,A230,A234,A241,A251,A257,A258,A259,A260,A271,A275,A276] + id: ??? + num: ??? + config_name: base + env_set: {} + env_copy: [] + config: + override_dirname: + kv_sep: '=' + item_sep: ',' + exclude_keys: [] + runtime: + version: 1.3.2 + version_base: '1.3' + cwd: C:\Users\adminisiterlator\RFdiffusion + config_sources: + - path: hydra.conf + schema: pkg + provider: hydra + - path: C:\Users\adminisiterlator\RFdiffusion\config\inference + schema: file + provider: main + - path: '' + schema: structured + provider: schema + output_dir: C:\Users\adminisiterlator\RFdiffusion\outputs\2023-10-21\14-59-31 + choices: + hydra/env: default + hydra/callbacks: null + hydra/job_logging: default + hydra/hydra_logging: default + hydra/hydra_help: default + hydra/help: default + hydra/sweeper: basic + hydra/launcher: basic + hydra/output: default + verbose: false diff --git a/RFdiffusion/outputs/2023-10-21/14-59-31/.hydra/overrides.yaml b/RFdiffusion/outputs/2023-10-21/14-59-31/.hydra/overrides.yaml new file mode 100644 index 0000000000000000000000000000000000000000..9df9e7e30a8c96b9dbc76d4592c9ab98d5a8f14f --- /dev/null +++ b/RFdiffusion/outputs/2023-10-21/14-59-31/.hydra/overrides.yaml @@ -0,0 +1,6 @@ +- inference.output_prefix=./ +- inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb +- contigmap.contigs=[A46-291/0 400-400] +- ppi.hotspot_res=[A48,A64,A73,A74,A75,A76,A81,A92,A93,A94,A95,A97,A100,A102,A110,A129,A133,A134,A136,A137,A138,A142,A155,A158,A165,A166,A168,A169,A184,A189,A192,A193,A205,A206,A209,A212,A215,A222,A223,A225,A226,A227,A228,A229,A230,A234,A241,A251,A257,A258,A259,A260,A271,A275,A276] +- inference.output_prefix=testoutputs/binder_test +- inference.num_designs=1 diff --git a/RFdiffusion/outputs/2023-10-21/14-59-31/run_inference.log b/RFdiffusion/outputs/2023-10-21/14-59-31/run_inference.log new file mode 100644 index 0000000000000000000000000000000000000000..8440a3bd529872f7a16a3411a0468babfeaf861c --- /dev/null +++ b/RFdiffusion/outputs/2023-10-21/14-59-31/run_inference.log @@ -0,0 +1,11 @@ +[2023-10-21 14:59:31,375][__main__][INFO] - Found GPU with device_name NVIDIA GeForce RTX 2060. Will run RFdiffusion on NVIDIA GeForce RTX 2060 +[2023-10-21 14:59:31,376][rfdiffusion.inference.model_runners][INFO] - Reading checkpoint from C:\Users\adminisiterlator\RFdiffusion\rfdiffusion\inference/../../models/Complex_base_ckpt.pt +[2023-10-21 14:59:35,964][rfdiffusion.inference.model_runners][INFO] - Loading checkpoint. +[2023-10-21 14:59:41,809][rfdiffusion.diffusion][INFO] - Using cached IGSO3. +[2023-10-21 14:59:41,853][__main__][INFO] - Making design testoutputs/binder_test_0 +[2023-10-21 14:59:41,880][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A46-291/0 400-400'] +[2023-10-21 14:59:41,991][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-21 15:00:08,633][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.16 +[2023-10-21 15:00:08,646][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-21 15:00:30,433][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2023-10-21 15:00:30,439][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL diff --git a/RFdiffusion/outputs/2023-10-21/15-01-17/.hydra/config.yaml b/RFdiffusion/outputs/2023-10-21/15-01-17/.hydra/config.yaml new file mode 100644 index 0000000000000000000000000000000000000000..f62a10fcd4cb6817441d19a5e14d5e97a64064cb --- /dev/null +++ b/RFdiffusion/outputs/2023-10-21/15-01-17/.hydra/config.yaml @@ -0,0 +1,180 @@ +inference: + input_pdb: C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + num_designs: 1 + design_startnum: 0 + ckpt_override_path: null + symmetry: null + recenter: true + radius: 10.0 + model_only_neighbors: false + output_prefix: testoutputs/binder_test + write_trajectory: true + scaffold_guided: false + model_runner: SelfConditioning + cautious: true + align_motif: true + symmetric_self_cond: true + final_step: 1 + deterministic: false + trb_save_ckpt_path: null + schedule_directory_path: null + model_directory_path: null +contigmap: + contigs: + - A46-291/0 700-700 + inpaint_seq: null + provide_seq: null + length: null +model: + n_extra_block: 4 + n_main_block: 32 + n_ref_block: 4 + d_msa: 256 + d_msa_full: 64 + d_pair: 128 + d_templ: 64 + n_head_msa: 8 + n_head_pair: 4 + n_head_templ: 4 + d_hidden: 32 + d_hidden_templ: 32 + p_drop: 0.15 + SE3_param_full: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 8 + l0_out_features: 8 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 32 + SE3_param_topk: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 64 + l0_out_features: 64 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 64 + freeze_track_motif: false + use_motif_timestep: false +diffuser: + T: 50 + b_0: 0.01 + b_T: 0.07 + schedule_type: linear + so3_type: igso3 + crd_scale: 0.25 + partial_T: null + so3_schedule_type: linear + min_b: 1.5 + max_b: 2.5 + min_sigma: 0.02 + max_sigma: 1.5 +denoiser: + noise_scale_ca: 1 + final_noise_scale_ca: 1 + ca_noise_schedule_type: constant + noise_scale_frame: 1 + final_noise_scale_frame: 1 + frame_noise_schedule_type: constant +ppi: + hotspot_res: + - A48 + - A64 + - A73 + - A74 + - A75 + - A76 + - A81 + - A92 + - A93 + - A94 + - A95 + - A97 + - A100 + - A102 + - A110 + - A129 + - A133 + - A134 + - A136 + - A137 + - A138 + - A142 + - A155 + - A158 + - A165 + - A166 + - A168 + - A169 + - A184 + - A189 + - A192 + - A193 + - A205 + - A206 + - A209 + - A212 + - A215 + - A222 + - A223 + - A225 + - A226 + - A227 + - A228 + - A229 + - A230 + - A234 + - A241 + - A251 + - A257 + - A258 + - A259 + - A260 + - A271 + - A275 + - A276 +potentials: + guiding_potentials: null + guide_scale: 10 + guide_decay: constant + olig_inter_all: null + olig_intra_all: null + olig_custom_contact: null + substrate: null +contig_settings: + ref_idx: null + hal_idx: null + idx_rf: null + inpaint_seq_tensor: null +preprocess: + sidechain_input: false + motif_sidechain_input: true + d_t1d: 22 + d_t2d: 44 + prob_self_cond: 0.0 + str_self_cond: false + predict_previous: false +logging: + inputs: false +scaffoldguided: + scaffoldguided: false + target_pdb: false + target_path: null + scaffold_list: null + scaffold_dir: null + sampled_insertion: 0 + sampled_N: 0 + sampled_C: 0 + ss_mask: 0 + systematic: false + target_ss: null + target_adj: null + mask_loops: true + contig_crop: null diff --git a/RFdiffusion/outputs/2023-10-21/15-01-17/.hydra/hydra.yaml b/RFdiffusion/outputs/2023-10-21/15-01-17/.hydra/hydra.yaml new file mode 100644 index 0000000000000000000000000000000000000000..0cc9b42b8c61538bd0d9d6490812c90fefecb27a --- /dev/null +++ b/RFdiffusion/outputs/2023-10-21/15-01-17/.hydra/hydra.yaml @@ -0,0 +1,160 @@ +hydra: + run: + dir: outputs/${now:%Y-%m-%d}/${now:%H-%M-%S} + sweep: + dir: multirun/${now:%Y-%m-%d}/${now:%H-%M-%S} + subdir: ${hydra.job.num} + launcher: + _target_: hydra._internal.core_plugins.basic_launcher.BasicLauncher + sweeper: + _target_: hydra._internal.core_plugins.basic_sweeper.BasicSweeper + max_batch_size: null + params: null + help: + app_name: ${hydra.job.name} + header: '${hydra.help.app_name} is powered by Hydra. + + ' + footer: 'Powered by Hydra (https://hydra.cc) + + Use --hydra-help to view Hydra specific help + + ' + template: '${hydra.help.header} + + == Configuration groups == + + Compose your configuration from those groups (group=option) + + + $APP_CONFIG_GROUPS + + + == Config == + + Override anything in the config (foo.bar=value) + + + $CONFIG + + + ${hydra.help.footer} + + ' + hydra_help: + template: 'Hydra (${hydra.runtime.version}) + + See https://hydra.cc for more info. + + + == Flags == + + $FLAGS_HELP + + + == Configuration groups == + + Compose your configuration from those groups (For example, append hydra/job_logging=disabled + to command line) + + + $HYDRA_CONFIG_GROUPS + + + Use ''--cfg hydra'' to Show the Hydra config. + + ' + hydra_help: ??? + hydra_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][HYDRA] %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + root: + level: INFO + handlers: + - console + loggers: + logging_example: + level: DEBUG + disable_existing_loggers: false + job_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][%(name)s][%(levelname)s] - %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + file: + class: logging.FileHandler + formatter: simple + filename: ${hydra.runtime.output_dir}/${hydra.job.name}.log + root: + level: INFO + handlers: + - console + - file + disable_existing_loggers: false + env: {} + mode: RUN + searchpath: [] + callbacks: {} + output_subdir: .hydra + overrides: + hydra: + - hydra.mode=RUN + task: + - inference.output_prefix=./ + - inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + - contigmap.contigs=[A46-291/0 700-700] + - ppi.hotspot_res=[A48,A64,A73,A74,A75,A76,A81,A92,A93,A94,A95,A97,A100,A102,A110,A129,A133,A134,A136,A137,A138,A142,A155,A158,A165,A166,A168,A169,A184,A189,A192,A193,A205,A206,A209,A212,A215,A222,A223,A225,A226,A227,A228,A229,A230,A234,A241,A251,A257,A258,A259,A260,A271,A275,A276] + - inference.output_prefix=testoutputs/binder_test + - inference.num_designs=1 + job: + name: run_inference + chdir: null + override_dirname: contigmap.contigs=[A46-291/0 700-700],inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb,inference.num_designs=1,inference.output_prefix=./,inference.output_prefix=testoutputs/binder_test,ppi.hotspot_res=[A48,A64,A73,A74,A75,A76,A81,A92,A93,A94,A95,A97,A100,A102,A110,A129,A133,A134,A136,A137,A138,A142,A155,A158,A165,A166,A168,A169,A184,A189,A192,A193,A205,A206,A209,A212,A215,A222,A223,A225,A226,A227,A228,A229,A230,A234,A241,A251,A257,A258,A259,A260,A271,A275,A276] + id: ??? + num: ??? + config_name: base + env_set: {} + env_copy: [] + config: + override_dirname: + kv_sep: '=' + item_sep: ',' + exclude_keys: [] + runtime: + version: 1.3.2 + version_base: '1.3' + cwd: C:\Users\adminisiterlator\RFdiffusion + config_sources: + - path: hydra.conf + schema: pkg + provider: hydra + - path: C:\Users\adminisiterlator\RFdiffusion\config\inference + schema: file + provider: main + - path: '' + schema: structured + provider: schema + output_dir: C:\Users\adminisiterlator\RFdiffusion\outputs\2023-10-21\15-01-17 + choices: + hydra/env: default + hydra/callbacks: null + hydra/job_logging: default + hydra/hydra_logging: default + hydra/hydra_help: default + hydra/help: default + hydra/sweeper: basic + hydra/launcher: basic + hydra/output: default + verbose: false diff --git a/RFdiffusion/outputs/2023-10-21/15-01-17/.hydra/overrides.yaml b/RFdiffusion/outputs/2023-10-21/15-01-17/.hydra/overrides.yaml new file mode 100644 index 0000000000000000000000000000000000000000..8126dbcff1297a3dd6307ef273ee21a2f7f16342 --- /dev/null +++ b/RFdiffusion/outputs/2023-10-21/15-01-17/.hydra/overrides.yaml @@ -0,0 +1,6 @@ +- inference.output_prefix=./ +- inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb +- contigmap.contigs=[A46-291/0 700-700] +- ppi.hotspot_res=[A48,A64,A73,A74,A75,A76,A81,A92,A93,A94,A95,A97,A100,A102,A110,A129,A133,A134,A136,A137,A138,A142,A155,A158,A165,A166,A168,A169,A184,A189,A192,A193,A205,A206,A209,A212,A215,A222,A223,A225,A226,A227,A228,A229,A230,A234,A241,A251,A257,A258,A259,A260,A271,A275,A276] +- inference.output_prefix=testoutputs/binder_test +- inference.num_designs=1 diff --git a/RFdiffusion/outputs/2023-10-21/15-01-17/run_inference.log b/RFdiffusion/outputs/2023-10-21/15-01-17/run_inference.log new file mode 100644 index 0000000000000000000000000000000000000000..a43e48ff4124b79363ba266bead881bb560583cb --- /dev/null +++ b/RFdiffusion/outputs/2023-10-21/15-01-17/run_inference.log @@ -0,0 +1,13 @@ +[2023-10-21 15:01:17,852][__main__][INFO] - Found GPU with device_name NVIDIA GeForce RTX 2060. Will run RFdiffusion on NVIDIA GeForce RTX 2060 +[2023-10-21 15:01:17,853][rfdiffusion.inference.model_runners][INFO] - Reading checkpoint from C:\Users\adminisiterlator\RFdiffusion\rfdiffusion\inference/../../models/Complex_base_ckpt.pt +[2023-10-21 15:01:21,700][rfdiffusion.inference.model_runners][INFO] - Loading checkpoint. +[2023-10-21 15:01:26,757][rfdiffusion.diffusion][INFO] - Using cached IGSO3. +[2023-10-21 15:01:26,789][__main__][INFO] - Making design testoutputs/binder_test_0 +[2023-10-21 15:01:26,817][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A46-291/0 700-700'] +[2023-10-21 15:01:26,958][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-21 15:13:12,979][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.22 +[2023-10-21 15:13:12,989][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-21 15:24:57,279][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.19 +[2023-10-21 15:24:57,289][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-21 15:36:41,513][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.20 +[2023-10-21 15:36:41,522][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL diff --git a/RFdiffusion/outputs/2023-10-23/20-22-27/.hydra/config.yaml b/RFdiffusion/outputs/2023-10-23/20-22-27/.hydra/config.yaml new file mode 100644 index 0000000000000000000000000000000000000000..cb2227d38c2761ec1819695e26b1d14d4e913800 --- /dev/null +++ b/RFdiffusion/outputs/2023-10-23/20-22-27/.hydra/config.yaml @@ -0,0 +1,180 @@ +inference: + input_pdb: C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + num_designs: 1 + design_startnum: 0 + ckpt_override_path: null + symmetry: null + recenter: true + radius: 10.0 + model_only_neighbors: false + output_prefix: testoutputs/binder_test + write_trajectory: true + scaffold_guided: false + model_runner: SelfConditioning + cautious: true + align_motif: true + symmetric_self_cond: true + final_step: 1 + deterministic: false + trb_save_ckpt_path: null + schedule_directory_path: null + model_directory_path: null +contigmap: + contigs: + - A46-291/0 500-500 + inpaint_seq: null + provide_seq: null + length: null +model: + n_extra_block: 4 + n_main_block: 32 + n_ref_block: 4 + d_msa: 256 + d_msa_full: 64 + d_pair: 128 + d_templ: 64 + n_head_msa: 8 + n_head_pair: 4 + n_head_templ: 4 + d_hidden: 32 + d_hidden_templ: 32 + p_drop: 0.15 + SE3_param_full: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 8 + l0_out_features: 8 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 32 + SE3_param_topk: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 64 + l0_out_features: 64 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 64 + freeze_track_motif: false + use_motif_timestep: false +diffuser: + T: 50 + b_0: 0.01 + b_T: 0.07 + schedule_type: linear + so3_type: igso3 + crd_scale: 0.25 + partial_T: null + so3_schedule_type: linear + min_b: 1.5 + max_b: 2.5 + min_sigma: 0.02 + max_sigma: 1.5 +denoiser: + noise_scale_ca: 1 + final_noise_scale_ca: 1 + ca_noise_schedule_type: constant + noise_scale_frame: 1 + final_noise_scale_frame: 1 + frame_noise_schedule_type: constant +ppi: + hotspot_res: + - A48 + - A64 + - A73 + - A74 + - A75 + - A76 + - A81 + - A92 + - A93 + - A94 + - A95 + - A97 + - A100 + - A102 + - A110 + - A129 + - A133 + - A134 + - A136 + - A137 + - A138 + - A142 + - A155 + - A158 + - A165 + - A166 + - A168 + - A169 + - A184 + - A189 + - A192 + - A193 + - A205 + - A206 + - A209 + - A212 + - A215 + - A222 + - A223 + - A225 + - A226 + - A227 + - A228 + - A229 + - A230 + - A234 + - A241 + - A251 + - A257 + - A258 + - A259 + - A260 + - A271 + - A275 + - A276 +potentials: + guiding_potentials: null + guide_scale: 10 + guide_decay: constant + olig_inter_all: null + olig_intra_all: null + olig_custom_contact: null + substrate: null +contig_settings: + ref_idx: null + hal_idx: null + idx_rf: null + inpaint_seq_tensor: null +preprocess: + sidechain_input: false + motif_sidechain_input: true + d_t1d: 22 + d_t2d: 44 + prob_self_cond: 0.0 + str_self_cond: false + predict_previous: false +logging: + inputs: false +scaffoldguided: + scaffoldguided: false + target_pdb: false + target_path: null + scaffold_list: null + scaffold_dir: null + sampled_insertion: 0 + sampled_N: 0 + sampled_C: 0 + ss_mask: 0 + systematic: false + target_ss: null + target_adj: null + mask_loops: true + contig_crop: null diff --git a/RFdiffusion/outputs/2023-10-23/20-22-27/.hydra/hydra.yaml b/RFdiffusion/outputs/2023-10-23/20-22-27/.hydra/hydra.yaml new file mode 100644 index 0000000000000000000000000000000000000000..e173a35b2be985820d19faebc06655327b994051 --- /dev/null +++ b/RFdiffusion/outputs/2023-10-23/20-22-27/.hydra/hydra.yaml @@ -0,0 +1,160 @@ +hydra: + run: + dir: outputs/${now:%Y-%m-%d}/${now:%H-%M-%S} + sweep: + dir: multirun/${now:%Y-%m-%d}/${now:%H-%M-%S} + subdir: ${hydra.job.num} + launcher: + _target_: hydra._internal.core_plugins.basic_launcher.BasicLauncher + sweeper: + _target_: hydra._internal.core_plugins.basic_sweeper.BasicSweeper + max_batch_size: null + params: null + help: + app_name: ${hydra.job.name} + header: '${hydra.help.app_name} is powered by Hydra. + + ' + footer: 'Powered by Hydra (https://hydra.cc) + + Use --hydra-help to view Hydra specific help + + ' + template: '${hydra.help.header} + + == Configuration groups == + + Compose your configuration from those groups (group=option) + + + $APP_CONFIG_GROUPS + + + == Config == + + Override anything in the config (foo.bar=value) + + + $CONFIG + + + ${hydra.help.footer} + + ' + hydra_help: + template: 'Hydra (${hydra.runtime.version}) + + See https://hydra.cc for more info. + + + == Flags == + + $FLAGS_HELP + + + == Configuration groups == + + Compose your configuration from those groups (For example, append hydra/job_logging=disabled + to command line) + + + $HYDRA_CONFIG_GROUPS + + + Use ''--cfg hydra'' to Show the Hydra config. + + ' + hydra_help: ??? + hydra_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][HYDRA] %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + root: + level: INFO + handlers: + - console + loggers: + logging_example: + level: DEBUG + disable_existing_loggers: false + job_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][%(name)s][%(levelname)s] - %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + file: + class: logging.FileHandler + formatter: simple + filename: ${hydra.runtime.output_dir}/${hydra.job.name}.log + root: + level: INFO + handlers: + - console + - file + disable_existing_loggers: false + env: {} + mode: RUN + searchpath: [] + callbacks: {} + output_subdir: .hydra + overrides: + hydra: + - hydra.mode=RUN + task: + - inference.output_prefix=./ + - inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + - contigmap.contigs=[A46-291/0 500-500] + - ppi.hotspot_res=[A48,A64,A73,A74,A75,A76,A81,A92,A93,A94,A95,A97,A100,A102,A110,A129,A133,A134,A136,A137,A138,A142,A155,A158,A165,A166,A168,A169,A184,A189,A192,A193,A205,A206,A209,A212,A215,A222,A223,A225,A226,A227,A228,A229,A230,A234,A241,A251,A257,A258,A259,A260,A271,A275,A276] + - inference.output_prefix=testoutputs/binder_test + - inference.num_designs=1 + job: + name: run_inference + chdir: null + override_dirname: contigmap.contigs=[A46-291/0 500-500],inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb,inference.num_designs=1,inference.output_prefix=./,inference.output_prefix=testoutputs/binder_test,ppi.hotspot_res=[A48,A64,A73,A74,A75,A76,A81,A92,A93,A94,A95,A97,A100,A102,A110,A129,A133,A134,A136,A137,A138,A142,A155,A158,A165,A166,A168,A169,A184,A189,A192,A193,A205,A206,A209,A212,A215,A222,A223,A225,A226,A227,A228,A229,A230,A234,A241,A251,A257,A258,A259,A260,A271,A275,A276] + id: ??? + num: ??? + config_name: base + env_set: {} + env_copy: [] + config: + override_dirname: + kv_sep: '=' + item_sep: ',' + exclude_keys: [] + runtime: + version: 1.3.2 + version_base: '1.3' + cwd: C:\Users\adminisiterlator\RFdiffusion + config_sources: + - path: hydra.conf + schema: pkg + provider: hydra + - path: C:\Users\adminisiterlator\RFdiffusion\config\inference + schema: file + provider: main + - path: '' + schema: structured + provider: schema + output_dir: C:\Users\adminisiterlator\RFdiffusion\outputs\2023-10-23\20-22-27 + choices: + hydra/env: default + hydra/callbacks: null + hydra/job_logging: default + hydra/hydra_logging: default + hydra/hydra_help: default + hydra/help: default + hydra/sweeper: basic + hydra/launcher: basic + hydra/output: default + verbose: false diff --git a/RFdiffusion/outputs/2023-10-23/20-22-27/.hydra/overrides.yaml b/RFdiffusion/outputs/2023-10-23/20-22-27/.hydra/overrides.yaml new file mode 100644 index 0000000000000000000000000000000000000000..4f5fe0f6a3297e9ea2d7a37bac0cb485a61feba4 --- /dev/null +++ b/RFdiffusion/outputs/2023-10-23/20-22-27/.hydra/overrides.yaml @@ -0,0 +1,6 @@ +- inference.output_prefix=./ +- inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb +- contigmap.contigs=[A46-291/0 500-500] +- ppi.hotspot_res=[A48,A64,A73,A74,A75,A76,A81,A92,A93,A94,A95,A97,A100,A102,A110,A129,A133,A134,A136,A137,A138,A142,A155,A158,A165,A166,A168,A169,A184,A189,A192,A193,A205,A206,A209,A212,A215,A222,A223,A225,A226,A227,A228,A229,A230,A234,A241,A251,A257,A258,A259,A260,A271,A275,A276] +- inference.output_prefix=testoutputs/binder_test +- inference.num_designs=1 diff --git a/RFdiffusion/outputs/2023-10-23/20-22-27/run_inference.log b/RFdiffusion/outputs/2023-10-23/20-22-27/run_inference.log new file mode 100644 index 0000000000000000000000000000000000000000..3b34b0dfe31d0efa27f5236b6dd3acf67358d41e --- /dev/null +++ b/RFdiffusion/outputs/2023-10-23/20-22-27/run_inference.log @@ -0,0 +1,106 @@ +[2023-10-23 20:22:27,370][__main__][INFO] - Found GPU with device_name NVIDIA GeForce RTX 2060. Will run RFdiffusion on NVIDIA GeForce RTX 2060 +[2023-10-23 20:22:27,372][rfdiffusion.inference.model_runners][INFO] - Reading checkpoint from C:\Users\adminisiterlator\RFdiffusion\rfdiffusion\inference/../../models/Complex_base_ckpt.pt +[2023-10-23 20:22:32,048][rfdiffusion.inference.model_runners][INFO] - Loading checkpoint. +[2023-10-23 20:22:38,573][rfdiffusion.diffusion][INFO] - Using cached IGSO3. +[2023-10-23 20:22:38,645][__main__][INFO] - Making design testoutputs/binder_test_0 +[2023-10-23 20:22:38,692][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A46-291/0 500-500'] +[2023-10-23 20:22:38,846][rfdiffusion.inference.model_runners][INFO] - Sequence init: --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-23 20:26:57,207][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.17 +[2023-10-23 20:26:57,225][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-23 20:31:08,989][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.16 +[2023-10-23 20:31:08,996][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-23 20:35:19,775][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.16 +[2023-10-23 20:35:19,782][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-23 20:39:30,778][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.16 +[2023-10-23 20:39:30,786][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-23 20:43:41,783][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.16 +[2023-10-23 20:43:41,790][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-23 20:47:52,820][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.16 +[2023-10-23 20:47:52,828][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-23 20:52:03,715][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.17 +[2023-10-23 20:52:03,723][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-23 20:56:14,773][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.17 +[2023-10-23 20:56:14,780][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-23 21:00:25,767][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.17 +[2023-10-23 21:00:25,774][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-23 21:04:38,028][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.18 +[2023-10-23 21:04:38,035][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-23 21:08:48,820][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.18 +[2023-10-23 21:08:48,827][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-23 21:12:59,679][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.17 +[2023-10-23 21:12:59,686][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-23 21:17:10,321][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.17 +[2023-10-23 21:17:10,328][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-23 21:21:24,182][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.16 +[2023-10-23 21:21:24,190][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-23 21:25:50,801][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.17 +[2023-10-23 21:25:50,809][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-23 21:30:32,577][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.17 +[2023-10-23 21:30:32,584][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-23 21:35:18,159][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.16 +[2023-10-23 21:35:18,167][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-23 21:39:45,432][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.16 +[2023-10-23 21:39:45,439][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-23 21:44:00,290][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.17 +[2023-10-23 21:44:00,299][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-23 21:48:29,046][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.18 +[2023-10-23 21:48:29,054][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-23 21:53:08,111][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.20 +[2023-10-23 21:53:08,118][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-23 21:57:43,397][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.23 +[2023-10-23 21:57:43,406][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-23 22:02:36,957][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.20 +[2023-10-23 22:02:36,965][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-23 22:08:42,892][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.19 +[2023-10-23 22:08:42,904][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-23 22:16:44,478][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.20 +[2023-10-23 22:16:44,485][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-23 22:23:30,309][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.20 +[2023-10-23 22:23:30,316][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-23 22:30:10,560][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.20 +[2023-10-23 22:30:10,569][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-23 22:43:02,024][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.19 +[2023-10-23 22:43:02,034][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-23 22:56:06,972][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.19 +[2023-10-23 22:56:06,988][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-24 11:56:03,029][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.17 +[2023-10-24 11:56:03,037][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-24 12:02:01,029][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.18 +[2023-10-24 12:02:01,037][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-24 12:08:00,055][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.17 +[2023-10-24 12:08:00,063][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-24 12:13:57,838][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.17 +[2023-10-24 12:13:57,848][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-24 12:19:55,636][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.16 +[2023-10-24 12:19:55,643][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-24 12:25:57,715][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.16 +[2023-10-24 12:25:57,722][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-24 12:32:08,117][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.16 +[2023-10-24 12:32:08,124][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-24 12:38:09,249][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.16 +[2023-10-24 12:38:09,257][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-24 12:44:10,853][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.16 +[2023-10-24 12:44:10,862][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-24 12:50:12,042][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.16 +[2023-10-24 12:50:12,103][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-24 12:56:14,791][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.16 +[2023-10-24 12:56:14,798][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-24 13:02:15,920][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.16 +[2023-10-24 13:02:15,929][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-24 13:08:17,020][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2023-10-24 13:08:17,029][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-24 13:14:19,243][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2023-10-24 13:14:19,251][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-24 13:20:20,940][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2023-10-24 13:20:20,949][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-24 13:26:22,217][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2023-10-24 13:26:22,226][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-24 13:32:23,567][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2023-10-24 13:32:23,576][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-24 13:38:24,863][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2023-10-24 13:38:24,872][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-24 13:44:25,937][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2023-10-24 13:44:25,946][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-24 13:50:27,010][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2023-10-24 13:50:27,022][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-24 13:56:42,971][__main__][INFO] - Finished design in 1054.07 minutes diff --git a/RFdiffusion/outputs/2023-10-24/19-00-06/.hydra/config.yaml b/RFdiffusion/outputs/2023-10-24/19-00-06/.hydra/config.yaml new file mode 100644 index 0000000000000000000000000000000000000000..fc6d98fa32c25df0ec883a399ff77a93c8b03ff3 --- /dev/null +++ b/RFdiffusion/outputs/2023-10-24/19-00-06/.hydra/config.yaml @@ -0,0 +1,180 @@ +inference: + input_pdb: C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + num_designs: 1 + design_startnum: 0 + ckpt_override_path: null + symmetry: null + recenter: true + radius: 10.0 + model_only_neighbors: false + output_prefix: testoutputs/binder_test + write_trajectory: true + scaffold_guided: false + model_runner: SelfConditioning + cautious: true + align_motif: true + symmetric_self_cond: true + final_step: 1 + deterministic: false + trb_save_ckpt_path: null + schedule_directory_path: null + model_directory_path: null +contigmap: + contigs: + - A46-291/0 300-400 + inpaint_seq: null + provide_seq: null + length: null +model: + n_extra_block: 4 + n_main_block: 32 + n_ref_block: 4 + d_msa: 256 + d_msa_full: 64 + d_pair: 128 + d_templ: 64 + n_head_msa: 8 + n_head_pair: 4 + n_head_templ: 4 + d_hidden: 32 + d_hidden_templ: 32 + p_drop: 0.15 + SE3_param_full: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 8 + l0_out_features: 8 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 32 + SE3_param_topk: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 64 + l0_out_features: 64 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 64 + freeze_track_motif: false + use_motif_timestep: false +diffuser: + T: 50 + b_0: 0.01 + b_T: 0.07 + schedule_type: linear + so3_type: igso3 + crd_scale: 0.25 + partial_T: null + so3_schedule_type: linear + min_b: 1.5 + max_b: 2.5 + min_sigma: 0.02 + max_sigma: 1.5 +denoiser: + noise_scale_ca: 1 + final_noise_scale_ca: 1 + ca_noise_schedule_type: constant + noise_scale_frame: 1 + final_noise_scale_frame: 1 + frame_noise_schedule_type: constant +ppi: + hotspot_res: + - A48 + - A64 + - A73 + - A74 + - A75 + - A76 + - A81 + - A92 + - A93 + - A94 + - A95 + - A97 + - A100 + - A102 + - A110 + - A129 + - A133 + - A134 + - A136 + - A137 + - A138 + - A142 + - A155 + - A158 + - A165 + - A166 + - A168 + - A169 + - A184 + - A189 + - A192 + - A193 + - A205 + - A206 + - A209 + - A212 + - A215 + - A222 + - A223 + - A225 + - A226 + - A227 + - A228 + - A229 + - A230 + - A234 + - A241 + - A251 + - A257 + - A258 + - A259 + - A260 + - A271 + - A275 + - A276 +potentials: + guiding_potentials: null + guide_scale: 10 + guide_decay: constant + olig_inter_all: null + olig_intra_all: null + olig_custom_contact: null + substrate: null +contig_settings: + ref_idx: null + hal_idx: null + idx_rf: null + inpaint_seq_tensor: null +preprocess: + sidechain_input: false + motif_sidechain_input: true + d_t1d: 22 + d_t2d: 44 + prob_self_cond: 0.0 + str_self_cond: false + predict_previous: false +logging: + inputs: false +scaffoldguided: + scaffoldguided: false + target_pdb: false + target_path: null + scaffold_list: null + scaffold_dir: null + sampled_insertion: 0 + sampled_N: 0 + sampled_C: 0 + ss_mask: 0 + systematic: false + target_ss: null + target_adj: null + mask_loops: true + contig_crop: null diff --git a/RFdiffusion/outputs/2023-10-24/19-00-06/.hydra/hydra.yaml b/RFdiffusion/outputs/2023-10-24/19-00-06/.hydra/hydra.yaml new file mode 100644 index 0000000000000000000000000000000000000000..dbce439fc967fe6115e91b242b9ea716e44caadd --- /dev/null +++ b/RFdiffusion/outputs/2023-10-24/19-00-06/.hydra/hydra.yaml @@ -0,0 +1,160 @@ +hydra: + run: + dir: outputs/${now:%Y-%m-%d}/${now:%H-%M-%S} + sweep: + dir: multirun/${now:%Y-%m-%d}/${now:%H-%M-%S} + subdir: ${hydra.job.num} + launcher: + _target_: hydra._internal.core_plugins.basic_launcher.BasicLauncher + sweeper: + _target_: hydra._internal.core_plugins.basic_sweeper.BasicSweeper + max_batch_size: null + params: null + help: + app_name: ${hydra.job.name} + header: '${hydra.help.app_name} is powered by Hydra. + + ' + footer: 'Powered by Hydra (https://hydra.cc) + + Use --hydra-help to view Hydra specific help + + ' + template: '${hydra.help.header} + + == Configuration groups == + + Compose your configuration from those groups (group=option) + + + $APP_CONFIG_GROUPS + + + == Config == + + Override anything in the config (foo.bar=value) + + + $CONFIG + + + ${hydra.help.footer} + + ' + hydra_help: + template: 'Hydra (${hydra.runtime.version}) + + See https://hydra.cc for more info. + + + == Flags == + + $FLAGS_HELP + + + == Configuration groups == + + Compose your configuration from those groups (For example, append hydra/job_logging=disabled + to command line) + + + $HYDRA_CONFIG_GROUPS + + + Use ''--cfg hydra'' to Show the Hydra config. + + ' + hydra_help: ??? + hydra_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][HYDRA] %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + root: + level: INFO + handlers: + - console + loggers: + logging_example: + level: DEBUG + disable_existing_loggers: false + job_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][%(name)s][%(levelname)s] - %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + file: + class: logging.FileHandler + formatter: simple + filename: ${hydra.runtime.output_dir}/${hydra.job.name}.log + root: + level: INFO + handlers: + - console + - file + disable_existing_loggers: false + env: {} + mode: RUN + searchpath: [] + callbacks: {} + output_subdir: .hydra + overrides: + hydra: + - hydra.mode=RUN + task: + - inference.output_prefix=./ + - inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + - contigmap.contigs=[A46-291/0 300-400] + - ppi.hotspot_res=[A48,A64,A73,A74,A75,A76,A81,A92,A93,A94,A95,A97,A100,A102,A110,A129,A133,A134,A136,A137,A138,A142,A155,A158,A165,A166,A168,A169,A184,A189,A192,A193,A205,A206,A209,A212,A215,A222,A223,A225,A226,A227,A228,A229,A230,A234,A241,A251,A257,A258,A259,A260,A271,A275,A276] + - inference.output_prefix=testoutputs/binder_test + - inference.num_designs=1 + job: + name: run_inference + chdir: null + override_dirname: contigmap.contigs=[A46-291/0 300-400],inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb,inference.num_designs=1,inference.output_prefix=./,inference.output_prefix=testoutputs/binder_test,ppi.hotspot_res=[A48,A64,A73,A74,A75,A76,A81,A92,A93,A94,A95,A97,A100,A102,A110,A129,A133,A134,A136,A137,A138,A142,A155,A158,A165,A166,A168,A169,A184,A189,A192,A193,A205,A206,A209,A212,A215,A222,A223,A225,A226,A227,A228,A229,A230,A234,A241,A251,A257,A258,A259,A260,A271,A275,A276] + id: ??? + num: ??? + config_name: base + env_set: {} + env_copy: [] + config: + override_dirname: + kv_sep: '=' + item_sep: ',' + exclude_keys: [] + runtime: + version: 1.3.2 + version_base: '1.3' + cwd: C:\Users\adminisiterlator\RFdiffusion + config_sources: + - path: hydra.conf + schema: pkg + provider: hydra + - path: C:\Users\adminisiterlator\RFdiffusion\config\inference + schema: file + provider: main + - path: '' + schema: structured + provider: schema + output_dir: C:\Users\adminisiterlator\RFdiffusion\outputs\2023-10-24\19-00-06 + choices: + hydra/env: default + hydra/callbacks: null + hydra/job_logging: default + hydra/hydra_logging: default + hydra/hydra_help: default + hydra/help: default + hydra/sweeper: basic + hydra/launcher: basic + hydra/output: default + verbose: false diff --git a/RFdiffusion/outputs/2023-10-24/19-00-06/.hydra/overrides.yaml b/RFdiffusion/outputs/2023-10-24/19-00-06/.hydra/overrides.yaml new file mode 100644 index 0000000000000000000000000000000000000000..778abc00758d70c311d50800d84175ec36311260 --- /dev/null +++ b/RFdiffusion/outputs/2023-10-24/19-00-06/.hydra/overrides.yaml @@ -0,0 +1,6 @@ +- inference.output_prefix=./ +- inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb +- contigmap.contigs=[A46-291/0 300-400] +- ppi.hotspot_res=[A48,A64,A73,A74,A75,A76,A81,A92,A93,A94,A95,A97,A100,A102,A110,A129,A133,A134,A136,A137,A138,A142,A155,A158,A165,A166,A168,A169,A184,A189,A192,A193,A205,A206,A209,A212,A215,A222,A223,A225,A226,A227,A228,A229,A230,A234,A241,A251,A257,A258,A259,A260,A271,A275,A276] +- inference.output_prefix=testoutputs/binder_test +- inference.num_designs=1 diff --git a/RFdiffusion/outputs/2023-10-24/19-00-06/run_inference.log b/RFdiffusion/outputs/2023-10-24/19-00-06/run_inference.log new file mode 100644 index 0000000000000000000000000000000000000000..cf1b426cb00d9ae328bdbbd25969d6c26c3bc1ec --- /dev/null +++ b/RFdiffusion/outputs/2023-10-24/19-00-06/run_inference.log @@ -0,0 +1,6 @@ +[2023-10-24 19:00:06,191][__main__][INFO] - Found GPU with device_name NVIDIA GeForce RTX 2060. Will run RFdiffusion on NVIDIA GeForce RTX 2060 +[2023-10-24 19:00:06,192][rfdiffusion.inference.model_runners][INFO] - Reading checkpoint from C:\Users\adminisiterlator\RFdiffusion\rfdiffusion\inference/../../models/Complex_base_ckpt.pt +[2023-10-24 19:00:10,787][rfdiffusion.inference.model_runners][INFO] - Loading checkpoint. +[2023-10-24 19:00:16,654][rfdiffusion.diffusion][INFO] - Using cached IGSO3. +[2023-10-24 19:00:16,703][__main__][INFO] - Making design testoutputs/binder_test_0 +[2023-10-24 19:00:16,704][__main__][INFO] - (cautious mode) Skipping this design because testoutputs/binder_test_0.pdb already exists. diff --git a/RFdiffusion/outputs/2023-10-24/19-01-29/.hydra/config.yaml b/RFdiffusion/outputs/2023-10-24/19-01-29/.hydra/config.yaml new file mode 100644 index 0000000000000000000000000000000000000000..fc6d98fa32c25df0ec883a399ff77a93c8b03ff3 --- /dev/null +++ b/RFdiffusion/outputs/2023-10-24/19-01-29/.hydra/config.yaml @@ -0,0 +1,180 @@ +inference: + input_pdb: C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + num_designs: 1 + design_startnum: 0 + ckpt_override_path: null + symmetry: null + recenter: true + radius: 10.0 + model_only_neighbors: false + output_prefix: testoutputs/binder_test + write_trajectory: true + scaffold_guided: false + model_runner: SelfConditioning + cautious: true + align_motif: true + symmetric_self_cond: true + final_step: 1 + deterministic: false + trb_save_ckpt_path: null + schedule_directory_path: null + model_directory_path: null +contigmap: + contigs: + - A46-291/0 300-400 + inpaint_seq: null + provide_seq: null + length: null +model: + n_extra_block: 4 + n_main_block: 32 + n_ref_block: 4 + d_msa: 256 + d_msa_full: 64 + d_pair: 128 + d_templ: 64 + n_head_msa: 8 + n_head_pair: 4 + n_head_templ: 4 + d_hidden: 32 + d_hidden_templ: 32 + p_drop: 0.15 + SE3_param_full: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 8 + l0_out_features: 8 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 32 + SE3_param_topk: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 64 + l0_out_features: 64 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 64 + freeze_track_motif: false + use_motif_timestep: false +diffuser: + T: 50 + b_0: 0.01 + b_T: 0.07 + schedule_type: linear + so3_type: igso3 + crd_scale: 0.25 + partial_T: null + so3_schedule_type: linear + min_b: 1.5 + max_b: 2.5 + min_sigma: 0.02 + max_sigma: 1.5 +denoiser: + noise_scale_ca: 1 + final_noise_scale_ca: 1 + ca_noise_schedule_type: constant + noise_scale_frame: 1 + final_noise_scale_frame: 1 + frame_noise_schedule_type: constant +ppi: + hotspot_res: + - A48 + - A64 + - A73 + - A74 + - A75 + - A76 + - A81 + - A92 + - A93 + - A94 + - A95 + - A97 + - A100 + - A102 + - A110 + - A129 + - A133 + - A134 + - A136 + - A137 + - A138 + - A142 + - A155 + - A158 + - A165 + - A166 + - A168 + - A169 + - A184 + - A189 + - A192 + - A193 + - A205 + - A206 + - A209 + - A212 + - A215 + - A222 + - A223 + - A225 + - A226 + - A227 + - A228 + - A229 + - A230 + - A234 + - A241 + - A251 + - A257 + - A258 + - A259 + - A260 + - A271 + - A275 + - A276 +potentials: + guiding_potentials: null + guide_scale: 10 + guide_decay: constant + olig_inter_all: null + olig_intra_all: null + olig_custom_contact: null + substrate: null +contig_settings: + ref_idx: null + hal_idx: null + idx_rf: null + inpaint_seq_tensor: null +preprocess: + sidechain_input: false + motif_sidechain_input: true + d_t1d: 22 + d_t2d: 44 + prob_self_cond: 0.0 + str_self_cond: false + predict_previous: false +logging: + inputs: false +scaffoldguided: + scaffoldguided: false + target_pdb: false + target_path: null + scaffold_list: null + scaffold_dir: null + sampled_insertion: 0 + sampled_N: 0 + sampled_C: 0 + ss_mask: 0 + systematic: false + target_ss: null + target_adj: null + mask_loops: true + contig_crop: null diff --git a/RFdiffusion/outputs/2023-10-24/19-01-29/.hydra/hydra.yaml b/RFdiffusion/outputs/2023-10-24/19-01-29/.hydra/hydra.yaml new file mode 100644 index 0000000000000000000000000000000000000000..86c68eded538ff96f6e1ab79f4f694c338bb40d0 --- /dev/null +++ b/RFdiffusion/outputs/2023-10-24/19-01-29/.hydra/hydra.yaml @@ -0,0 +1,160 @@ +hydra: + run: + dir: outputs/${now:%Y-%m-%d}/${now:%H-%M-%S} + sweep: + dir: multirun/${now:%Y-%m-%d}/${now:%H-%M-%S} + subdir: ${hydra.job.num} + launcher: + _target_: hydra._internal.core_plugins.basic_launcher.BasicLauncher + sweeper: + _target_: hydra._internal.core_plugins.basic_sweeper.BasicSweeper + max_batch_size: null + params: null + help: + app_name: ${hydra.job.name} + header: '${hydra.help.app_name} is powered by Hydra. + + ' + footer: 'Powered by Hydra (https://hydra.cc) + + Use --hydra-help to view Hydra specific help + + ' + template: '${hydra.help.header} + + == Configuration groups == + + Compose your configuration from those groups (group=option) + + + $APP_CONFIG_GROUPS + + + == Config == + + Override anything in the config (foo.bar=value) + + + $CONFIG + + + ${hydra.help.footer} + + ' + hydra_help: + template: 'Hydra (${hydra.runtime.version}) + + See https://hydra.cc for more info. + + + == Flags == + + $FLAGS_HELP + + + == Configuration groups == + + Compose your configuration from those groups (For example, append hydra/job_logging=disabled + to command line) + + + $HYDRA_CONFIG_GROUPS + + + Use ''--cfg hydra'' to Show the Hydra config. + + ' + hydra_help: ??? + hydra_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][HYDRA] %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + root: + level: INFO + handlers: + - console + loggers: + logging_example: + level: DEBUG + disable_existing_loggers: false + job_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][%(name)s][%(levelname)s] - %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + file: + class: logging.FileHandler + formatter: simple + filename: ${hydra.runtime.output_dir}/${hydra.job.name}.log + root: + level: INFO + handlers: + - console + - file + disable_existing_loggers: false + env: {} + mode: RUN + searchpath: [] + callbacks: {} + output_subdir: .hydra + overrides: + hydra: + - hydra.mode=RUN + task: + - inference.output_prefix=./ + - inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb + - contigmap.contigs=[A46-291/0 300-400] + - ppi.hotspot_res=[A48,A64,A73,A74,A75,A76,A81,A92,A93,A94,A95,A97,A100,A102,A110,A129,A133,A134,A136,A137,A138,A142,A155,A158,A165,A166,A168,A169,A184,A189,A192,A193,A205,A206,A209,A212,A215,A222,A223,A225,A226,A227,A228,A229,A230,A234,A241,A251,A257,A258,A259,A260,A271,A275,A276] + - inference.output_prefix=testoutputs/binder_test + - inference.num_designs=1 + job: + name: run_inference + chdir: null + override_dirname: contigmap.contigs=[A46-291/0 300-400],inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb,inference.num_designs=1,inference.output_prefix=./,inference.output_prefix=testoutputs/binder_test,ppi.hotspot_res=[A48,A64,A73,A74,A75,A76,A81,A92,A93,A94,A95,A97,A100,A102,A110,A129,A133,A134,A136,A137,A138,A142,A155,A158,A165,A166,A168,A169,A184,A189,A192,A193,A205,A206,A209,A212,A215,A222,A223,A225,A226,A227,A228,A229,A230,A234,A241,A251,A257,A258,A259,A260,A271,A275,A276] + id: ??? + num: ??? + config_name: base + env_set: {} + env_copy: [] + config: + override_dirname: + kv_sep: '=' + item_sep: ',' + exclude_keys: [] + runtime: + version: 1.3.2 + version_base: '1.3' + cwd: C:\Users\adminisiterlator\RFdiffusion + config_sources: + - path: hydra.conf + schema: pkg + provider: hydra + - path: C:\Users\adminisiterlator\RFdiffusion\config\inference + schema: file + provider: main + - path: '' + schema: structured + provider: schema + output_dir: C:\Users\adminisiterlator\RFdiffusion\outputs\2023-10-24\19-01-29 + choices: + hydra/env: default + hydra/callbacks: null + hydra/job_logging: default + hydra/hydra_logging: default + hydra/hydra_help: default + hydra/help: default + hydra/sweeper: basic + hydra/launcher: basic + hydra/output: default + verbose: false diff --git a/RFdiffusion/outputs/2023-10-24/19-01-29/.hydra/overrides.yaml b/RFdiffusion/outputs/2023-10-24/19-01-29/.hydra/overrides.yaml new file mode 100644 index 0000000000000000000000000000000000000000..778abc00758d70c311d50800d84175ec36311260 --- /dev/null +++ b/RFdiffusion/outputs/2023-10-24/19-01-29/.hydra/overrides.yaml @@ -0,0 +1,6 @@ +- inference.output_prefix=./ +- inference.input_pdb=C:\Users\adminisiterlator\Desktop\wanglesheishishei1.pdb +- contigmap.contigs=[A46-291/0 300-400] +- ppi.hotspot_res=[A48,A64,A73,A74,A75,A76,A81,A92,A93,A94,A95,A97,A100,A102,A110,A129,A133,A134,A136,A137,A138,A142,A155,A158,A165,A166,A168,A169,A184,A189,A192,A193,A205,A206,A209,A212,A215,A222,A223,A225,A226,A227,A228,A229,A230,A234,A241,A251,A257,A258,A259,A260,A271,A275,A276] +- inference.output_prefix=testoutputs/binder_test +- inference.num_designs=1 diff --git a/RFdiffusion/outputs/2023-10-24/19-01-29/run_inference.log b/RFdiffusion/outputs/2023-10-24/19-01-29/run_inference.log new file mode 100644 index 0000000000000000000000000000000000000000..4861a5a2ffe156d7242a8c75d0d0c65e3ea277df --- /dev/null +++ b/RFdiffusion/outputs/2023-10-24/19-01-29/run_inference.log @@ -0,0 +1,106 @@ +[2023-10-24 19:01:29,943][__main__][INFO] - Found GPU with device_name NVIDIA GeForce RTX 2060. Will run RFdiffusion on NVIDIA GeForce RTX 2060 +[2023-10-24 19:01:29,945][rfdiffusion.inference.model_runners][INFO] - Reading checkpoint from C:\Users\adminisiterlator\RFdiffusion\rfdiffusion\inference/../../models/Complex_base_ckpt.pt +[2023-10-24 19:01:34,044][rfdiffusion.inference.model_runners][INFO] - Loading checkpoint. +[2023-10-24 19:01:39,590][rfdiffusion.diffusion][INFO] - Using cached IGSO3. +[2023-10-24 19:01:39,629][__main__][INFO] - Making design testoutputs/binder_test_0 +[2023-10-24 19:01:39,670][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A46-291/0 300-400'] +[2023-10-24 19:01:39,769][rfdiffusion.inference.model_runners][INFO] - Sequence init: ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-24 19:02:04,926][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.16 +[2023-10-24 19:02:04,934][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-24 19:02:24,167][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2023-10-24 19:02:24,175][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-24 19:02:43,385][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2023-10-24 19:02:43,392][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-24 19:03:02,676][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2023-10-24 19:03:02,682][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-24 19:03:21,936][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2023-10-24 19:03:21,942][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-24 19:03:41,259][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2023-10-24 19:03:41,267][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-24 19:04:00,612][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2023-10-24 19:04:00,619][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-24 19:04:20,040][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.16 +[2023-10-24 19:04:20,047][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-24 19:04:39,545][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.16 +[2023-10-24 19:04:39,552][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-24 19:04:59,096][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2023-10-24 19:04:59,103][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-24 19:05:18,841][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.16 +[2023-10-24 19:05:18,848][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-24 19:05:38,298][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2023-10-24 19:05:38,306][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-24 19:05:57,952][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.16 +[2023-10-24 19:05:57,958][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-24 19:06:17,522][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2023-10-24 19:06:17,528][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-24 19:06:37,096][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.16 +[2023-10-24 19:06:37,103][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-24 19:06:56,781][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2023-10-24 19:06:56,788][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-24 19:07:16,644][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2023-10-24 19:07:16,651][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-24 19:07:36,426][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2023-10-24 19:07:36,432][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-24 19:07:55,983][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2023-10-24 19:07:55,990][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-24 19:08:15,571][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2023-10-24 19:08:15,578][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-24 19:08:35,134][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2023-10-24 19:08:35,141][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-24 19:08:54,943][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2023-10-24 19:08:54,950][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-24 19:09:14,516][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2023-10-24 19:09:14,523][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-24 19:09:34,123][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2023-10-24 19:09:34,130][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-24 19:09:53,795][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2023-10-24 19:09:53,801][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-24 19:10:13,335][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.16 +[2023-10-24 19:10:13,342][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-24 19:10:32,877][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.16 +[2023-10-24 19:10:32,888][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-24 19:10:52,550][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.16 +[2023-10-24 19:10:52,557][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-24 19:11:12,097][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2023-10-24 19:11:12,105][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-24 19:11:31,653][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.16 +[2023-10-24 19:11:31,660][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-24 19:11:51,184][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.16 +[2023-10-24 19:11:51,190][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-24 19:12:10,777][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2023-10-24 19:12:10,784][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-24 19:12:30,355][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2023-10-24 19:12:30,362][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-24 19:12:49,909][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2023-10-24 19:12:49,916][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-24 19:13:09,430][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2023-10-24 19:13:09,436][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-24 19:13:29,011][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2023-10-24 19:13:29,018][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-24 19:13:48,542][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2023-10-24 19:13:48,551][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-24 19:14:08,179][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2023-10-24 19:14:08,186][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-24 19:14:27,747][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2023-10-24 19:14:27,754][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-24 19:14:47,267][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2023-10-24 19:14:47,274][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-24 19:15:06,751][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2023-10-24 19:15:06,758][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-24 19:15:26,281][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2023-10-24 19:15:26,287][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-24 19:15:45,835][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2023-10-24 19:15:45,841][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-24 19:16:05,332][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2023-10-24 19:16:05,339][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-24 19:16:24,815][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2023-10-24 19:16:24,821][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-24 19:16:44,339][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2023-10-24 19:16:44,346][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-24 19:17:03,826][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2023-10-24 19:17:03,835][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-24 19:17:23,358][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2023-10-24 19:17:23,365][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-24 19:17:42,829][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2023-10-24 19:17:42,836][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQPQDAGVPRRLLQQAARAALHFFNFRSGSPSALRVLAEVQEGRAWINPKEGCKVHVVFSTERYNPESLLQEGEGRLGKCSARVFFKNQKPRPTINVTCTRLIEKKKRQQEDYLLYKQMKQLKNPLEIVSIPDNHGHIDPSLRLIWDLAFLGSSYVMWEMTTQVSHYYLAQLTSVRQWKTNDDTIDFDYTVLLHELSTQEIIPCRIHLVWYPGKPLKVKYHCQELQTPEEASGTEEGSAVVPTEL +[2023-10-24 19:18:15,400][__main__][INFO] - Finished design in 16.60 minutes diff --git a/RFdiffusion/outputs/2024-04-15/14-12-29/.hydra/config.yaml b/RFdiffusion/outputs/2024-04-15/14-12-29/.hydra/config.yaml new file mode 100644 index 0000000000000000000000000000000000000000..6b48f335bac8a12b4319298e099c3bd37e5771b3 --- /dev/null +++ b/RFdiffusion/outputs/2024-04-15/14-12-29/.hydra/config.yaml @@ -0,0 +1,140 @@ +inference: + input_pdb: C:\Users\adminisiterlator\Desktop\fordesignpdb\1dhf.pdb + num_designs: 100 + design_startnum: 0 + ckpt_override_path: null + symmetry: null + recenter: true + radius: 10.0 + model_only_neighbors: false + output_prefix: testoutputs/binder_test + write_trajectory: true + scaffold_guided: false + model_runner: SelfConditioning + cautious: true + align_motif: true + symmetric_self_cond: true + final_step: 1 + deterministic: false + trb_save_ckpt_path: null + schedule_directory_path: null + model_directory_path: null +contigmap: + contigs: + - A11-151/0 100-100 + inpaint_seq: null + provide_seq: null + length: null +model: + n_extra_block: 4 + n_main_block: 32 + n_ref_block: 4 + d_msa: 256 + d_msa_full: 64 + d_pair: 128 + d_templ: 64 + n_head_msa: 8 + n_head_pair: 4 + n_head_templ: 4 + d_hidden: 32 + d_hidden_templ: 32 + p_drop: 0.15 + SE3_param_full: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 8 + l0_out_features: 8 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 32 + SE3_param_topk: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 64 + l0_out_features: 64 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 64 + freeze_track_motif: false + use_motif_timestep: false +diffuser: + T: 50 + b_0: 0.01 + b_T: 0.07 + schedule_type: linear + so3_type: igso3 + crd_scale: 0.25 + partial_T: null + so3_schedule_type: linear + min_b: 1.5 + max_b: 2.5 + min_sigma: 0.02 + max_sigma: 1.5 +denoiser: + noise_scale_ca: 1 + final_noise_scale_ca: 1 + ca_noise_schedule_type: constant + noise_scale_frame: 1 + final_noise_scale_frame: 1 + frame_noise_schedule_type: constant +ppi: + hotspot_res: + - A16 + - A20 + - A21 + - A22 + - A31 + - A37 + - A41 + - A55 + - A56 + - A59 + - A115 + - A118 + - A121 + - A145 + - A146 +potentials: + guiding_potentials: null + guide_scale: 10 + guide_decay: constant + olig_inter_all: null + olig_intra_all: null + olig_custom_contact: null + substrate: null +contig_settings: + ref_idx: null + hal_idx: null + idx_rf: null + inpaint_seq_tensor: null +preprocess: + sidechain_input: false + motif_sidechain_input: true + d_t1d: 22 + d_t2d: 44 + prob_self_cond: 0.0 + str_self_cond: false + predict_previous: false +logging: + inputs: false +scaffoldguided: + scaffoldguided: false + target_pdb: false + target_path: null + scaffold_list: null + scaffold_dir: null + sampled_insertion: 0 + sampled_N: 0 + sampled_C: 0 + ss_mask: 0 + systematic: false + target_ss: null + target_adj: null + mask_loops: true + contig_crop: null diff --git a/RFdiffusion/outputs/2024-04-15/14-12-29/.hydra/hydra.yaml b/RFdiffusion/outputs/2024-04-15/14-12-29/.hydra/hydra.yaml new file mode 100644 index 0000000000000000000000000000000000000000..7a058f19b2f86d4f6ba2ba31fcf26e8bf46793b8 --- /dev/null +++ b/RFdiffusion/outputs/2024-04-15/14-12-29/.hydra/hydra.yaml @@ -0,0 +1,160 @@ +hydra: + run: + dir: outputs/${now:%Y-%m-%d}/${now:%H-%M-%S} + sweep: + dir: multirun/${now:%Y-%m-%d}/${now:%H-%M-%S} + subdir: ${hydra.job.num} + launcher: + _target_: hydra._internal.core_plugins.basic_launcher.BasicLauncher + sweeper: + _target_: hydra._internal.core_plugins.basic_sweeper.BasicSweeper + max_batch_size: null + params: null + help: + app_name: ${hydra.job.name} + header: '${hydra.help.app_name} is powered by Hydra. + + ' + footer: 'Powered by Hydra (https://hydra.cc) + + Use --hydra-help to view Hydra specific help + + ' + template: '${hydra.help.header} + + == Configuration groups == + + Compose your configuration from those groups (group=option) + + + $APP_CONFIG_GROUPS + + + == Config == + + Override anything in the config (foo.bar=value) + + + $CONFIG + + + ${hydra.help.footer} + + ' + hydra_help: + template: 'Hydra (${hydra.runtime.version}) + + See https://hydra.cc for more info. + + + == Flags == + + $FLAGS_HELP + + + == Configuration groups == + + Compose your configuration from those groups (For example, append hydra/job_logging=disabled + to command line) + + + $HYDRA_CONFIG_GROUPS + + + Use ''--cfg hydra'' to Show the Hydra config. + + ' + hydra_help: ??? + hydra_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][HYDRA] %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + root: + level: INFO + handlers: + - console + loggers: + logging_example: + level: DEBUG + disable_existing_loggers: false + job_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][%(name)s][%(levelname)s] - %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + file: + class: logging.FileHandler + formatter: simple + filename: ${hydra.runtime.output_dir}/${hydra.job.name}.log + root: + level: INFO + handlers: + - console + - file + disable_existing_loggers: false + env: {} + mode: RUN + searchpath: [] + callbacks: {} + output_subdir: .hydra + overrides: + hydra: + - hydra.mode=RUN + task: + - inference.output_prefix=./ + - inference.input_pdb=C:\Users\adminisiterlator\Desktop\fordesignpdb\1dhf.pdb + - contigmap.contigs=[A11-151/0 100-100] + - ppi.hotspot_res=[A16,A20,A21,A22,A31,A37,A41,A55,A56,A59,A115,A118,A121,A145,A146] + - inference.output_prefix=testoutputs/binder_test + - inference.num_designs=100 + job: + name: run_inference + chdir: null + override_dirname: contigmap.contigs=[A11-151/0 100-100],inference.input_pdb=C:\Users\adminisiterlator\Desktop\fordesignpdb\1dhf.pdb,inference.num_designs=100,inference.output_prefix=./,inference.output_prefix=testoutputs/binder_test,ppi.hotspot_res=[A16,A20,A21,A22,A31,A37,A41,A55,A56,A59,A115,A118,A121,A145,A146] + id: ??? + num: ??? + config_name: base + env_set: {} + env_copy: [] + config: + override_dirname: + kv_sep: '=' + item_sep: ',' + exclude_keys: [] + runtime: + version: 1.3.2 + version_base: '1.3' + cwd: C:\Users\adminisiterlator\RFdiffusion + config_sources: + - path: hydra.conf + schema: pkg + provider: hydra + - path: C:\Users\adminisiterlator\RFdiffusion\config\inference + schema: file + provider: main + - path: '' + schema: structured + provider: schema + output_dir: C:\Users\adminisiterlator\RFdiffusion\outputs\2024-04-15\14-12-29 + choices: + hydra/env: default + hydra/callbacks: null + hydra/job_logging: default + hydra/hydra_logging: default + hydra/hydra_help: default + hydra/help: default + hydra/sweeper: basic + hydra/launcher: basic + hydra/output: default + verbose: false diff --git a/RFdiffusion/outputs/2024-04-15/14-12-29/.hydra/overrides.yaml b/RFdiffusion/outputs/2024-04-15/14-12-29/.hydra/overrides.yaml new file mode 100644 index 0000000000000000000000000000000000000000..6c8438e402f094f095825569f41c517093f83024 --- /dev/null +++ b/RFdiffusion/outputs/2024-04-15/14-12-29/.hydra/overrides.yaml @@ -0,0 +1,6 @@ +- inference.output_prefix=./ +- inference.input_pdb=C:\Users\adminisiterlator\Desktop\fordesignpdb\1dhf.pdb +- contigmap.contigs=[A11-151/0 100-100] +- ppi.hotspot_res=[A16,A20,A21,A22,A31,A37,A41,A55,A56,A59,A115,A118,A121,A145,A146] +- inference.output_prefix=testoutputs/binder_test +- inference.num_designs=100 diff --git a/RFdiffusion/outputs/2024-04-15/14-12-29/run_inference.log b/RFdiffusion/outputs/2024-04-15/14-12-29/run_inference.log new file mode 100644 index 0000000000000000000000000000000000000000..beabad63d69f47513fcc952f3fe6963871640efa --- /dev/null +++ b/RFdiffusion/outputs/2024-04-15/14-12-29/run_inference.log @@ -0,0 +1,6 @@ +[2024-04-15 14:12:29,121][__main__][INFO] - Found GPU with device_name NVIDIA GeForce RTX 2060. Will run RFdiffusion on NVIDIA GeForce RTX 2060 +[2024-04-15 14:12:29,123][rfdiffusion.inference.model_runners][INFO] - Reading checkpoint from C:\Users\adminisiterlator\RFdiffusion\rfdiffusion\inference/../../models/Complex_base_ckpt.pt +[2024-04-15 14:12:33,903][rfdiffusion.inference.model_runners][INFO] - Loading checkpoint. +[2024-04-15 14:12:41,204][rfdiffusion.diffusion][INFO] - Using cached IGSO3. +[2024-04-15 14:12:41,243][__main__][INFO] - Making design testoutputs/binder_test_0 +[2024-04-15 14:12:41,270][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A11-151/0 100-100'] diff --git a/RFdiffusion/outputs/2024-04-15/14-16-31/.hydra/config.yaml b/RFdiffusion/outputs/2024-04-15/14-16-31/.hydra/config.yaml new file mode 100644 index 0000000000000000000000000000000000000000..9115857752d4cff692c0b04f3b3e90c389b966ff --- /dev/null +++ b/RFdiffusion/outputs/2024-04-15/14-16-31/.hydra/config.yaml @@ -0,0 +1,140 @@ +inference: + input_pdb: C:\Users\adminisiterlator\Desktop\fordesignpdb\1dhf.pdb + num_designs: 100 + design_startnum: 0 + ckpt_override_path: null + symmetry: null + recenter: true + radius: 10.0 + model_only_neighbors: false + output_prefix: testoutputs/binder_test + write_trajectory: true + scaffold_guided: false + model_runner: SelfConditioning + cautious: true + align_motif: true + symmetric_self_cond: true + final_step: 1 + deterministic: false + trb_save_ckpt_path: null + schedule_directory_path: null + model_directory_path: null +contigmap: + contigs: + - 1S11-151/0 100-100 + inpaint_seq: null + provide_seq: null + length: null +model: + n_extra_block: 4 + n_main_block: 32 + n_ref_block: 4 + d_msa: 256 + d_msa_full: 64 + d_pair: 128 + d_templ: 64 + n_head_msa: 8 + n_head_pair: 4 + n_head_templ: 4 + d_hidden: 32 + d_hidden_templ: 32 + p_drop: 0.15 + SE3_param_full: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 8 + l0_out_features: 8 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 32 + SE3_param_topk: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 64 + l0_out_features: 64 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 64 + freeze_track_motif: false + use_motif_timestep: false +diffuser: + T: 50 + b_0: 0.01 + b_T: 0.07 + schedule_type: linear + so3_type: igso3 + crd_scale: 0.25 + partial_T: null + so3_schedule_type: linear + min_b: 1.5 + max_b: 2.5 + min_sigma: 0.02 + max_sigma: 1.5 +denoiser: + noise_scale_ca: 1 + final_noise_scale_ca: 1 + ca_noise_schedule_type: constant + noise_scale_frame: 1 + final_noise_scale_frame: 1 + frame_noise_schedule_type: constant +ppi: + hotspot_res: + - 1S16 + - 1S20 + - 1S21 + - 1S22 + - 1S31 + - 1S37 + - 1S41 + - 1S55 + - 1S56 + - 1S59 + - 1S115 + - 1S118 + - 1S121 + - 1S145 + - 1S146 +potentials: + guiding_potentials: null + guide_scale: 10 + guide_decay: constant + olig_inter_all: null + olig_intra_all: null + olig_custom_contact: null + substrate: null +contig_settings: + ref_idx: null + hal_idx: null + idx_rf: null + inpaint_seq_tensor: null +preprocess: + sidechain_input: false + motif_sidechain_input: true + d_t1d: 22 + d_t2d: 44 + prob_self_cond: 0.0 + str_self_cond: false + predict_previous: false +logging: + inputs: false +scaffoldguided: + scaffoldguided: false + target_pdb: false + target_path: null + scaffold_list: null + scaffold_dir: null + sampled_insertion: 0 + sampled_N: 0 + sampled_C: 0 + ss_mask: 0 + systematic: false + target_ss: null + target_adj: null + mask_loops: true + contig_crop: null diff --git a/RFdiffusion/outputs/2024-04-15/14-16-31/.hydra/hydra.yaml b/RFdiffusion/outputs/2024-04-15/14-16-31/.hydra/hydra.yaml new file mode 100644 index 0000000000000000000000000000000000000000..a3e439e42d9fc8b40184a7412c40a42e1c4bdbf8 --- /dev/null +++ b/RFdiffusion/outputs/2024-04-15/14-16-31/.hydra/hydra.yaml @@ -0,0 +1,160 @@ +hydra: + run: + dir: outputs/${now:%Y-%m-%d}/${now:%H-%M-%S} + sweep: + dir: multirun/${now:%Y-%m-%d}/${now:%H-%M-%S} + subdir: ${hydra.job.num} + launcher: + _target_: hydra._internal.core_plugins.basic_launcher.BasicLauncher + sweeper: + _target_: hydra._internal.core_plugins.basic_sweeper.BasicSweeper + max_batch_size: null + params: null + help: + app_name: ${hydra.job.name} + header: '${hydra.help.app_name} is powered by Hydra. + + ' + footer: 'Powered by Hydra (https://hydra.cc) + + Use --hydra-help to view Hydra specific help + + ' + template: '${hydra.help.header} + + == Configuration groups == + + Compose your configuration from those groups (group=option) + + + $APP_CONFIG_GROUPS + + + == Config == + + Override anything in the config (foo.bar=value) + + + $CONFIG + + + ${hydra.help.footer} + + ' + hydra_help: + template: 'Hydra (${hydra.runtime.version}) + + See https://hydra.cc for more info. + + + == Flags == + + $FLAGS_HELP + + + == Configuration groups == + + Compose your configuration from those groups (For example, append hydra/job_logging=disabled + to command line) + + + $HYDRA_CONFIG_GROUPS + + + Use ''--cfg hydra'' to Show the Hydra config. + + ' + hydra_help: ??? + hydra_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][HYDRA] %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + root: + level: INFO + handlers: + - console + loggers: + logging_example: + level: DEBUG + disable_existing_loggers: false + job_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][%(name)s][%(levelname)s] - %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + file: + class: logging.FileHandler + formatter: simple + filename: ${hydra.runtime.output_dir}/${hydra.job.name}.log + root: + level: INFO + handlers: + - console + - file + disable_existing_loggers: false + env: {} + mode: RUN + searchpath: [] + callbacks: {} + output_subdir: .hydra + overrides: + hydra: + - hydra.mode=RUN + task: + - inference.output_prefix=./ + - inference.input_pdb=C:\Users\adminisiterlator\Desktop\fordesignpdb\1dhf.pdb + - contigmap.contigs=[1S11-151/0 100-100] + - ppi.hotspot_res=[1S16,1S20,1S21,1S22,1S31,1S37,1S41,1S55,1S56,1S59,1S115,1S118,1S121,1S145,1S146] + - inference.output_prefix=testoutputs/binder_test + - inference.num_designs=100 + job: + name: run_inference + chdir: null + override_dirname: contigmap.contigs=[1S11-151/0 100-100],inference.input_pdb=C:\Users\adminisiterlator\Desktop\fordesignpdb\1dhf.pdb,inference.num_designs=100,inference.output_prefix=./,inference.output_prefix=testoutputs/binder_test,ppi.hotspot_res=[1S16,1S20,1S21,1S22,1S31,1S37,1S41,1S55,1S56,1S59,1S115,1S118,1S121,1S145,1S146] + id: ??? + num: ??? + config_name: base + env_set: {} + env_copy: [] + config: + override_dirname: + kv_sep: '=' + item_sep: ',' + exclude_keys: [] + runtime: + version: 1.3.2 + version_base: '1.3' + cwd: C:\Users\adminisiterlator\RFdiffusion + config_sources: + - path: hydra.conf + schema: pkg + provider: hydra + - path: C:\Users\adminisiterlator\RFdiffusion\config\inference + schema: file + provider: main + - path: '' + schema: structured + provider: schema + output_dir: C:\Users\adminisiterlator\RFdiffusion\outputs\2024-04-15\14-16-31 + choices: + hydra/env: default + hydra/callbacks: null + hydra/job_logging: default + hydra/hydra_logging: default + hydra/hydra_help: default + hydra/help: default + hydra/sweeper: basic + hydra/launcher: basic + hydra/output: default + verbose: false diff --git a/RFdiffusion/outputs/2024-04-15/14-16-31/.hydra/overrides.yaml b/RFdiffusion/outputs/2024-04-15/14-16-31/.hydra/overrides.yaml new file mode 100644 index 0000000000000000000000000000000000000000..cdf7fa78be84ebfc61ada2ab8388ff36f72071c1 --- /dev/null +++ b/RFdiffusion/outputs/2024-04-15/14-16-31/.hydra/overrides.yaml @@ -0,0 +1,6 @@ +- inference.output_prefix=./ +- inference.input_pdb=C:\Users\adminisiterlator\Desktop\fordesignpdb\1dhf.pdb +- contigmap.contigs=[1S11-151/0 100-100] +- ppi.hotspot_res=[1S16,1S20,1S21,1S22,1S31,1S37,1S41,1S55,1S56,1S59,1S115,1S118,1S121,1S145,1S146] +- inference.output_prefix=testoutputs/binder_test +- inference.num_designs=100 diff --git a/RFdiffusion/outputs/2024-04-15/14-16-31/run_inference.log b/RFdiffusion/outputs/2024-04-15/14-16-31/run_inference.log new file mode 100644 index 0000000000000000000000000000000000000000..b7747bb9c253fb2f2576a5c45d78122d492ec118 --- /dev/null +++ b/RFdiffusion/outputs/2024-04-15/14-16-31/run_inference.log @@ -0,0 +1,6 @@ +[2024-04-15 14:16:31,987][__main__][INFO] - Found GPU with device_name NVIDIA GeForce RTX 2060. Will run RFdiffusion on NVIDIA GeForce RTX 2060 +[2024-04-15 14:16:31,988][rfdiffusion.inference.model_runners][INFO] - Reading checkpoint from C:\Users\adminisiterlator\RFdiffusion\rfdiffusion\inference/../../models/Complex_base_ckpt.pt +[2024-04-15 14:16:36,340][rfdiffusion.inference.model_runners][INFO] - Loading checkpoint. +[2024-04-15 14:16:42,264][rfdiffusion.diffusion][INFO] - Using cached IGSO3. +[2024-04-15 14:16:42,293][__main__][INFO] - Making design testoutputs/binder_test_0 +[2024-04-15 14:16:42,311][rfdiffusion.inference.model_runners][INFO] - Using contig: ['1S11-151/0 100-100'] diff --git a/RFdiffusion/outputs/2024-04-15/14-43-54/.hydra/config.yaml b/RFdiffusion/outputs/2024-04-15/14-43-54/.hydra/config.yaml new file mode 100644 index 0000000000000000000000000000000000000000..6b48f335bac8a12b4319298e099c3bd37e5771b3 --- /dev/null +++ b/RFdiffusion/outputs/2024-04-15/14-43-54/.hydra/config.yaml @@ -0,0 +1,140 @@ +inference: + input_pdb: C:\Users\adminisiterlator\Desktop\fordesignpdb\1dhf.pdb + num_designs: 100 + design_startnum: 0 + ckpt_override_path: null + symmetry: null + recenter: true + radius: 10.0 + model_only_neighbors: false + output_prefix: testoutputs/binder_test + write_trajectory: true + scaffold_guided: false + model_runner: SelfConditioning + cautious: true + align_motif: true + symmetric_self_cond: true + final_step: 1 + deterministic: false + trb_save_ckpt_path: null + schedule_directory_path: null + model_directory_path: null +contigmap: + contigs: + - A11-151/0 100-100 + inpaint_seq: null + provide_seq: null + length: null +model: + n_extra_block: 4 + n_main_block: 32 + n_ref_block: 4 + d_msa: 256 + d_msa_full: 64 + d_pair: 128 + d_templ: 64 + n_head_msa: 8 + n_head_pair: 4 + n_head_templ: 4 + d_hidden: 32 + d_hidden_templ: 32 + p_drop: 0.15 + SE3_param_full: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 8 + l0_out_features: 8 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 32 + SE3_param_topk: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 64 + l0_out_features: 64 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 64 + freeze_track_motif: false + use_motif_timestep: false +diffuser: + T: 50 + b_0: 0.01 + b_T: 0.07 + schedule_type: linear + so3_type: igso3 + crd_scale: 0.25 + partial_T: null + so3_schedule_type: linear + min_b: 1.5 + max_b: 2.5 + min_sigma: 0.02 + max_sigma: 1.5 +denoiser: + noise_scale_ca: 1 + final_noise_scale_ca: 1 + ca_noise_schedule_type: constant + noise_scale_frame: 1 + final_noise_scale_frame: 1 + frame_noise_schedule_type: constant +ppi: + hotspot_res: + - A16 + - A20 + - A21 + - A22 + - A31 + - A37 + - A41 + - A55 + - A56 + - A59 + - A115 + - A118 + - A121 + - A145 + - A146 +potentials: + guiding_potentials: null + guide_scale: 10 + guide_decay: constant + olig_inter_all: null + olig_intra_all: null + olig_custom_contact: null + substrate: null +contig_settings: + ref_idx: null + hal_idx: null + idx_rf: null + inpaint_seq_tensor: null +preprocess: + sidechain_input: false + motif_sidechain_input: true + d_t1d: 22 + d_t2d: 44 + prob_self_cond: 0.0 + str_self_cond: false + predict_previous: false +logging: + inputs: false +scaffoldguided: + scaffoldguided: false + target_pdb: false + target_path: null + scaffold_list: null + scaffold_dir: null + sampled_insertion: 0 + sampled_N: 0 + sampled_C: 0 + ss_mask: 0 + systematic: false + target_ss: null + target_adj: null + mask_loops: true + contig_crop: null diff --git a/RFdiffusion/outputs/2024-04-15/14-43-54/.hydra/hydra.yaml b/RFdiffusion/outputs/2024-04-15/14-43-54/.hydra/hydra.yaml new file mode 100644 index 0000000000000000000000000000000000000000..9383df1816baa748db583cd6ef2636b20924c78b --- /dev/null +++ b/RFdiffusion/outputs/2024-04-15/14-43-54/.hydra/hydra.yaml @@ -0,0 +1,160 @@ +hydra: + run: + dir: outputs/${now:%Y-%m-%d}/${now:%H-%M-%S} + sweep: + dir: multirun/${now:%Y-%m-%d}/${now:%H-%M-%S} + subdir: ${hydra.job.num} + launcher: + _target_: hydra._internal.core_plugins.basic_launcher.BasicLauncher + sweeper: + _target_: hydra._internal.core_plugins.basic_sweeper.BasicSweeper + max_batch_size: null + params: null + help: + app_name: ${hydra.job.name} + header: '${hydra.help.app_name} is powered by Hydra. + + ' + footer: 'Powered by Hydra (https://hydra.cc) + + Use --hydra-help to view Hydra specific help + + ' + template: '${hydra.help.header} + + == Configuration groups == + + Compose your configuration from those groups (group=option) + + + $APP_CONFIG_GROUPS + + + == Config == + + Override anything in the config (foo.bar=value) + + + $CONFIG + + + ${hydra.help.footer} + + ' + hydra_help: + template: 'Hydra (${hydra.runtime.version}) + + See https://hydra.cc for more info. + + + == Flags == + + $FLAGS_HELP + + + == Configuration groups == + + Compose your configuration from those groups (For example, append hydra/job_logging=disabled + to command line) + + + $HYDRA_CONFIG_GROUPS + + + Use ''--cfg hydra'' to Show the Hydra config. + + ' + hydra_help: ??? + hydra_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][HYDRA] %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + root: + level: INFO + handlers: + - console + loggers: + logging_example: + level: DEBUG + disable_existing_loggers: false + job_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][%(name)s][%(levelname)s] - %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + file: + class: logging.FileHandler + formatter: simple + filename: ${hydra.runtime.output_dir}/${hydra.job.name}.log + root: + level: INFO + handlers: + - console + - file + disable_existing_loggers: false + env: {} + mode: RUN + searchpath: [] + callbacks: {} + output_subdir: .hydra + overrides: + hydra: + - hydra.mode=RUN + task: + - inference.output_prefix=./ + - inference.input_pdb=C:\Users\adminisiterlator\Desktop\fordesignpdb\1dhf.pdb + - contigmap.contigs=[A11-151/0 100-100] + - ppi.hotspot_res=[A16,A20,A21,A22,A31,A37,A41,A55,A56,A59,A115,A118,A121,A145,A146] + - inference.output_prefix=testoutputs/binder_test + - inference.num_designs=100 + job: + name: run_inference + chdir: null + override_dirname: contigmap.contigs=[A11-151/0 100-100],inference.input_pdb=C:\Users\adminisiterlator\Desktop\fordesignpdb\1dhf.pdb,inference.num_designs=100,inference.output_prefix=./,inference.output_prefix=testoutputs/binder_test,ppi.hotspot_res=[A16,A20,A21,A22,A31,A37,A41,A55,A56,A59,A115,A118,A121,A145,A146] + id: ??? + num: ??? + config_name: base + env_set: {} + env_copy: [] + config: + override_dirname: + kv_sep: '=' + item_sep: ',' + exclude_keys: [] + runtime: + version: 1.3.2 + version_base: '1.3' + cwd: C:\Users\adminisiterlator\RFdiffusion + config_sources: + - path: hydra.conf + schema: pkg + provider: hydra + - path: C:\Users\adminisiterlator\RFdiffusion\config\inference + schema: file + provider: main + - path: '' + schema: structured + provider: schema + output_dir: C:\Users\adminisiterlator\RFdiffusion\outputs\2024-04-15\14-43-54 + choices: + hydra/env: default + hydra/callbacks: null + hydra/job_logging: default + hydra/hydra_logging: default + hydra/hydra_help: default + hydra/help: default + hydra/sweeper: basic + hydra/launcher: basic + hydra/output: default + verbose: false diff --git a/RFdiffusion/outputs/2024-04-15/14-43-54/.hydra/overrides.yaml b/RFdiffusion/outputs/2024-04-15/14-43-54/.hydra/overrides.yaml new file mode 100644 index 0000000000000000000000000000000000000000..6c8438e402f094f095825569f41c517093f83024 --- /dev/null +++ b/RFdiffusion/outputs/2024-04-15/14-43-54/.hydra/overrides.yaml @@ -0,0 +1,6 @@ +- inference.output_prefix=./ +- inference.input_pdb=C:\Users\adminisiterlator\Desktop\fordesignpdb\1dhf.pdb +- contigmap.contigs=[A11-151/0 100-100] +- ppi.hotspot_res=[A16,A20,A21,A22,A31,A37,A41,A55,A56,A59,A115,A118,A121,A145,A146] +- inference.output_prefix=testoutputs/binder_test +- inference.num_designs=100 diff --git a/RFdiffusion/outputs/2024-04-15/14-43-54/run_inference.log b/RFdiffusion/outputs/2024-04-15/14-43-54/run_inference.log new file mode 100644 index 0000000000000000000000000000000000000000..b4c7680dcf5142dee5f2399fdcd97853e2810e46 --- /dev/null +++ b/RFdiffusion/outputs/2024-04-15/14-43-54/run_inference.log @@ -0,0 +1,10204 @@ +[2024-04-15 14:43:54,346][__main__][INFO] - Found GPU with device_name NVIDIA GeForce RTX 2060. Will run RFdiffusion on NVIDIA GeForce RTX 2060 +[2024-04-15 14:43:54,348][rfdiffusion.inference.model_runners][INFO] - Reading checkpoint from C:\Users\adminisiterlator\RFdiffusion\rfdiffusion\inference/../../models/Complex_base_ckpt.pt +[2024-04-15 14:43:58,651][rfdiffusion.inference.model_runners][INFO] - Loading checkpoint. +[2024-04-15 14:44:04,546][rfdiffusion.diffusion][INFO] - Using cached IGSO3. +[2024-04-15 14:44:04,565][__main__][INFO] - Making design testoutputs/binder_test_0 +[2024-04-15 14:44:04,578][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A11-151/0 100-100'] +[2024-04-15 14:44:04,643][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:44:14,414][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2024-04-15 14:44:14,420][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:44:17,221][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:44:17,225][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:44:20,005][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:44:20,011][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:44:22,786][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:44:22,791][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:44:25,555][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:44:25,561][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:44:28,345][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:44:28,349][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:44:31,115][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:44:31,120][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:44:33,885][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:44:33,890][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:44:36,650][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:44:36,655][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:44:39,414][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:44:39,419][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:44:42,182][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:44:42,187][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:44:44,946][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:44:44,950][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:44:47,724][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:44:47,729][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:44:50,503][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:44:50,509][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:44:53,261][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:44:53,267][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:44:56,102][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:44:56,107][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:44:58,880][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:44:58,885][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:45:01,663][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:45:01,668][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:45:04,436][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:45:04,441][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:45:07,211][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:45:07,217][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:45:09,984][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:45:09,990][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:45:12,776][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:45:12,780][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:45:15,568][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:45:15,573][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:45:18,399][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:45:18,403][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:45:21,198][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:45:21,204][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:45:23,997][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:45:24,001][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:45:26,786][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:45:26,792][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:45:29,643][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:45:29,647][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:45:32,437][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:45:32,443][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:45:35,224][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:45:35,229][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:45:37,970][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:45:37,974][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:45:40,728][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:45:40,746][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:45:43,534][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:45:43,538][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:45:46,335][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:45:46,344][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:45:49,151][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:45:49,156][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:45:51,937][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 14:45:51,942][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:45:54,720][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:45:54,724][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:45:57,513][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:45:57,520][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:46:00,318][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:46:00,324][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:46:03,116][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:46:03,121][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:46:05,906][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:46:05,912][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:46:08,683][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:46:08,688][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:46:11,459][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 14:46:11,465][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:46:14,235][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 14:46:14,240][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:46:17,044][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 14:46:17,050][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:46:19,835][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 14:46:19,840][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:46:22,625][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 14:46:22,630][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:46:25,424][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:46:25,428][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:46:28,217][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:46:28,223][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:46:37,175][__main__][INFO] - Finished design in 2.54 minutes +[2024-04-15 14:46:37,175][__main__][INFO] - Making design testoutputs/binder_test_1 +[2024-04-15 14:46:37,197][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A11-151/0 100-100'] +[2024-04-15 14:46:37,246][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:46:40,302][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2024-04-15 14:46:40,307][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:46:43,091][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:46:43,096][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:46:45,890][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:46:45,894][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:46:48,701][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:46:48,706][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:46:51,530][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:46:51,534][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:46:54,312][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:46:54,317][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:46:57,113][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:46:57,117][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:46:59,916][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:46:59,919][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:47:02,714][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:47:02,719][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:47:05,528][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:47:05,533][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:47:08,328][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:47:08,334][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:47:11,104][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:47:11,111][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:47:13,927][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:47:13,932][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:47:16,737][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:47:16,742][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:47:19,562][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:47:19,569][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:47:22,414][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:47:22,419][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:47:25,216][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:47:25,222][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:47:28,033][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:47:28,040][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:47:30,840][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:47:30,845][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:47:33,684][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:47:33,689][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:47:36,508][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:47:36,513][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:47:39,335][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:47:39,339][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:47:42,200][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:47:42,205][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:47:45,106][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:47:45,111][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:47:47,985][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:47:47,991][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:47:50,805][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:47:50,809][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:47:53,694][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:47:53,699][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:47:56,505][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:47:56,511][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:47:59,315][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:47:59,320][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:48:02,116][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:48:02,120][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:48:04,873][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:48:04,878][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:48:07,693][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:48:07,697][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:48:10,507][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:48:10,511][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:48:13,321][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 14:48:13,327][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:48:16,127][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:48:16,133][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:48:18,962][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 14:48:18,968][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:48:21,797][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 14:48:21,806][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:48:24,603][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:48:24,608][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:48:27,411][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:48:27,415][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:48:30,224][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:48:30,230][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:48:33,025][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:48:33,031][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:48:35,832][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:48:35,838][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:48:38,690][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:48:38,695][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:48:41,474][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:48:41,479][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:48:44,303][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:48:44,308][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:48:47,106][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:48:47,112][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:48:49,939][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:48:49,943][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:48:52,741][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 14:48:52,747][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:48:55,569][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 14:48:55,574][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:49:04,322][__main__][INFO] - Finished design in 2.45 minutes +[2024-04-15 14:49:04,322][__main__][INFO] - Making design testoutputs/binder_test_2 +[2024-04-15 14:49:04,343][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A11-151/0 100-100'] +[2024-04-15 14:49:04,396][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:49:07,463][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.16 +[2024-04-15 14:49:07,468][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:49:10,286][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:49:10,291][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:49:13,102][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:49:13,106][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:49:15,953][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:49:15,958][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:49:18,793][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:49:18,798][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:49:21,624][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:49:21,629][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:49:24,503][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:49:24,507][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:49:27,315][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:49:27,321][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:49:30,151][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:49:30,157][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:49:32,980][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:49:32,986][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:49:35,832][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:49:35,836][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:49:38,633][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:49:38,638][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:49:41,489][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:49:41,493][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:49:44,320][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:49:44,326][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:49:47,159][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:49:47,164][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:49:49,990][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:49:49,995][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:49:52,821][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:49:52,825][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:49:55,654][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:49:55,659][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:49:58,468][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:49:58,474][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:50:01,303][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:50:01,307][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:50:04,123][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:50:04,128][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:50:06,961][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:50:06,966][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:50:09,791][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:50:09,796][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:50:12,614][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:50:12,619][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:50:15,432][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:50:15,438][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:50:18,263][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:50:18,267][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:50:21,157][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:50:21,163][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:50:24,088][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:50:24,094][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:50:26,906][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:50:26,910][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:50:29,715][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:50:29,720][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:50:32,544][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:50:32,549][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:50:35,362][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:50:35,367][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:50:38,177][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:50:38,182][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:50:41,007][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:50:41,013][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:50:43,830][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:50:43,835][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:50:46,653][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:50:46,658][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:50:49,474][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:50:49,478][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:50:52,285][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:50:52,290][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:50:55,107][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:50:55,112][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:50:57,947][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:50:57,953][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:51:00,762][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:51:00,767][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:51:03,603][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:51:03,608][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:51:06,419][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:51:06,424][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:51:09,208][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:51:09,213][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:51:12,017][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:51:12,022][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:51:14,846][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:51:14,850][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:51:17,658][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:51:17,663][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:51:20,572][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:51:20,577][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:51:23,368][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:51:23,372][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:51:32,321][__main__][INFO] - Finished design in 2.47 minutes +[2024-04-15 14:51:32,321][__main__][INFO] - Making design testoutputs/binder_test_3 +[2024-04-15 14:51:32,341][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A11-151/0 100-100'] +[2024-04-15 14:51:32,393][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:51:35,393][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2024-04-15 14:51:35,398][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:51:38,203][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:51:38,208][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:51:41,014][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:51:41,019][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:51:43,851][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:51:43,856][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:51:46,706][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:51:46,711][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:51:49,527][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:51:49,532][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:51:52,339][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:51:52,344][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:51:55,162][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:51:55,166][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:51:58,002][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 14:51:58,008][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:52:00,840][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:52:00,844][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:52:03,683][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 14:52:03,689][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:52:06,535][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 14:52:06,540][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:52:09,354][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:52:09,358][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:52:12,186][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 14:52:12,192][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:52:15,028][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:52:15,033][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:52:17,852][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:52:17,857][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:52:20,713][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:52:20,717][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:52:23,548][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:52:23,552][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:52:26,366][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:52:26,372][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:52:29,217][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:52:29,224][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:52:32,059][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:52:32,064][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:52:34,889][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:52:34,894][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:52:37,725][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:52:37,729][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:52:40,536][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:52:40,541][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:52:43,365][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:52:43,371][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:52:46,186][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:52:46,193][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:52:49,031][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:52:49,036][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:52:51,866][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:52:51,870][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:52:54,694][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:52:54,700][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:52:57,540][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:52:57,545][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:53:00,383][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:53:00,390][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:53:03,212][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:53:03,216][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:53:06,018][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:53:06,024][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:53:08,859][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:53:08,864][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:53:11,698][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:53:11,703][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:53:14,536][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:53:14,543][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:53:17,349][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:53:17,353][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:53:20,159][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:53:20,165][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:53:22,975][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:53:22,980][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:53:25,806][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:53:25,811][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:53:28,646][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 14:53:28,650][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:53:31,477][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 14:53:31,482][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:53:34,314][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 14:53:34,319][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:53:37,161][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 14:53:37,166][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:53:39,977][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 14:53:39,982][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:53:42,793][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 14:53:42,799][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:53:45,604][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 14:53:45,608][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:53:48,425][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 14:53:48,430][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:53:51,245][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 14:53:51,250][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:54:00,159][__main__][INFO] - Finished design in 2.46 minutes +[2024-04-15 14:54:00,159][__main__][INFO] - Making design testoutputs/binder_test_4 +[2024-04-15 14:54:00,176][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A11-151/0 100-100'] +[2024-04-15 14:54:00,226][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:54:03,337][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2024-04-15 14:54:03,341][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:54:06,175][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:54:06,180][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:54:08,997][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:54:09,001][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:54:11,822][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:54:11,827][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:54:14,651][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:54:14,658][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:54:17,508][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:54:17,511][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:54:20,331][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:54:20,335][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:54:23,197][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:54:23,201][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:54:26,056][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:54:26,061][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:54:28,904][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:54:28,909][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:54:31,750][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:54:31,756][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:54:34,589][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:54:34,595][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:54:37,419][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:54:37,424][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:54:40,235][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:54:40,240][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:54:43,058][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:54:43,064][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:54:45,889][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:54:45,893][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:54:48,727][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:54:48,731][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:54:51,540][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:54:51,545][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:54:54,392][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:54:54,397][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:54:57,215][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:54:57,220][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:55:00,059][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:55:00,064][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:55:02,903][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:55:02,909][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:55:05,765][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:55:05,771][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:55:08,631][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:55:08,636][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:55:11,459][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:55:11,463][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:55:14,290][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:55:14,294][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:55:17,104][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:55:17,108][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:55:19,978][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:55:19,984][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:55:22,884][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:55:22,889][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:55:25,755][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:55:25,761][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:55:28,568][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:55:28,572][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:55:31,412][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:55:31,416][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:55:34,262][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:55:34,268][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:55:37,094][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:55:37,099][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:55:39,952][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 14:55:39,956][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:55:42,777][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 14:55:42,783][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:55:45,629][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 14:55:45,634][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:55:48,440][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 14:55:48,446][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:55:51,269][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 14:55:51,274][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:55:54,071][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 14:55:54,076][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:55:56,898][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 14:55:56,905][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:55:59,740][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 14:55:59,746][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:56:02,573][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 14:56:02,579][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:56:05,398][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 14:56:05,406][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:56:08,242][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 14:56:08,248][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:56:11,028][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 14:56:11,034][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:56:13,852][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 14:56:13,857][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:56:16,701][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 14:56:16,709][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:56:19,535][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 14:56:19,540][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:56:28,736][__main__][INFO] - Finished design in 2.48 minutes +[2024-04-15 14:56:28,736][__main__][INFO] - Making design testoutputs/binder_test_5 +[2024-04-15 14:56:28,753][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A11-151/0 100-100'] +[2024-04-15 14:56:28,806][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:56:31,893][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2024-04-15 14:56:31,897][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:56:34,717][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:56:34,722][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:56:37,525][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:56:37,530][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:56:40,355][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:56:40,359][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:56:43,186][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:56:43,193][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:56:46,009][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:56:46,014][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:56:48,839][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:56:48,844][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:56:51,660][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:56:51,665][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:56:54,480][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:56:54,485][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:56:57,332][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:56:57,337][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:57:00,186][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:57:00,191][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:57:03,015][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:57:03,020][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:57:05,831][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:57:05,836][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:57:08,675][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:57:08,679][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:57:11,474][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:57:11,478][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:57:14,300][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:57:14,305][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:57:17,144][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:57:17,149][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:57:19,963][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:57:19,968][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:57:22,855][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:57:22,861][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:57:25,701][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:57:25,707][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:57:28,533][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:57:28,538][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:57:31,362][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:57:31,367][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:57:34,201][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:57:34,206][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:57:37,039][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:57:37,044][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:57:39,875][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:57:39,880][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:57:42,755][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:57:42,760][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:57:45,589][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:57:45,593][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:57:48,413][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:57:48,417][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:57:51,246][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:57:51,251][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:57:54,063][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:57:54,068][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:57:56,890][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:57:56,896][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:57:59,738][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:57:59,743][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:58:02,589][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:58:02,595][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:58:05,466][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:58:05,471][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:58:08,271][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:58:08,275][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:58:11,077][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:58:11,082][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:58:13,900][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:58:13,905][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:58:16,731][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:58:16,736][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:58:19,565][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:58:19,569][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:58:22,416][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:58:22,420][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:58:25,215][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:58:25,221][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:58:28,053][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:58:28,057][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:58:30,878][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:58:30,883][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:58:33,707][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:58:33,713][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:58:36,548][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:58:36,553][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:58:39,394][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:58:39,399][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:58:42,220][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:58:42,223][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:58:45,021][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:58:45,026][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:58:47,849][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:58:47,853][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:58:56,784][__main__][INFO] - Finished design in 2.47 minutes +[2024-04-15 14:58:56,784][__main__][INFO] - Making design testoutputs/binder_test_6 +[2024-04-15 14:58:56,800][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A11-151/0 100-100'] +[2024-04-15 14:58:56,849][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:58:59,865][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2024-04-15 14:58:59,870][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:59:02,690][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:59:02,695][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:59:05,502][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:59:05,514][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:59:08,361][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:59:08,366][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:59:11,191][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:59:11,196][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:59:14,044][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:59:14,050][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:59:16,869][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:59:16,874][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:59:19,726][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:59:19,731][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:59:22,569][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:59:22,574][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:59:25,408][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:59:25,413][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:59:28,248][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:59:28,252][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:59:31,068][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:59:31,072][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:59:33,917][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:59:33,923][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:59:36,750][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:59:36,755][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:59:39,597][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:59:39,601][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:59:42,430][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:59:42,435][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:59:45,294][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:59:45,299][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:59:48,160][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:59:48,167][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:59:51,018][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:59:51,022][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:59:53,858][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:59:53,862][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:59:56,692][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:59:56,696][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 14:59:59,515][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 14:59:59,529][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:00:02,341][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:00:02,346][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:00:05,187][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:00:05,195][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:00:08,037][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:00:08,042][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:00:10,886][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:00:10,892][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:00:13,755][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:00:13,760][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:00:16,590][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:00:16,596][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:00:19,413][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:00:19,418][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:00:22,242][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:00:22,247][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:00:25,087][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:00:25,093][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:00:27,919][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:00:27,924][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:00:30,744][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:00:30,748][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:00:33,563][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:00:33,567][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:00:36,405][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:00:36,412][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:00:39,218][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:00:39,222][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:00:42,045][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:00:42,050][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:00:44,892][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:00:44,898][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:00:47,749][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:00:47,753][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:00:50,600][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:00:50,605][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:00:53,444][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:00:53,447][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:00:56,251][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:00:56,255][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:00:59,058][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:00:59,063][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:01:01,925][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:01:01,930][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:01:04,754][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:01:04,758][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:01:07,581][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 15:01:07,586][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:01:10,432][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 15:01:10,437][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:01:13,246][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 15:01:13,252][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:01:16,055][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 15:01:16,063][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:01:25,272][__main__][INFO] - Finished design in 2.47 minutes +[2024-04-15 15:01:25,273][__main__][INFO] - Making design testoutputs/binder_test_7 +[2024-04-15 15:01:25,290][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A11-151/0 100-100'] +[2024-04-15 15:01:25,346][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:01:28,393][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2024-04-15 15:01:28,398][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:01:31,231][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:01:31,235][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:01:34,052][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:01:34,057][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:01:36,897][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 15:01:36,901][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:01:39,690][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 15:01:39,694][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:01:42,506][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 15:01:42,510][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:01:45,343][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:01:45,348][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:01:48,183][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:01:48,190][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:01:51,022][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:01:51,026][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:01:53,867][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:01:53,873][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:01:56,711][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:01:56,715][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:01:59,551][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:01:59,556][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:02:02,374][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:02:02,379][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:02:05,216][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 15:02:05,222][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:02:08,092][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:02:08,097][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:02:10,927][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:02:10,932][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:02:13,774][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:02:13,777][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:02:16,573][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:02:16,578][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:02:19,407][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:02:19,412][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:02:22,233][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:02:22,238][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:02:25,093][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:02:25,098][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:02:27,976][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:02:27,980][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:02:30,813][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:02:30,817][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:02:33,671][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:02:33,675][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:02:36,478][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:02:36,484][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:02:39,329][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:02:39,334][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:02:42,173][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:02:42,178][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:02:45,047][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:02:45,052][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:02:47,874][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:02:47,879][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:02:50,700][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:02:50,704][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:02:53,526][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:02:53,531][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:02:56,355][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:02:56,360][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:02:59,177][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:02:59,182][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:03:02,044][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:03:02,048][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:03:04,885][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:03:04,890][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:03:07,712][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:03:07,717][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:03:10,537][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:03:10,542][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:03:13,354][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:03:13,358][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:03:16,163][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:03:16,168][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:03:18,988][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:03:18,995][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:03:21,837][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:03:21,842][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:03:24,671][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:03:24,675][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:03:27,512][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 15:03:27,517][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:03:30,322][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 15:03:30,328][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:03:33,137][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 15:03:33,142][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:03:35,984][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 15:03:35,989][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:03:38,801][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 15:03:38,806][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:03:41,620][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 15:03:41,625][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:03:44,477][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 15:03:44,480][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:03:53,586][__main__][INFO] - Finished design in 2.47 minutes +[2024-04-15 15:03:53,587][__main__][INFO] - Making design testoutputs/binder_test_8 +[2024-04-15 15:03:53,606][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A11-151/0 100-100'] +[2024-04-15 15:03:53,656][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:03:56,702][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.16 +[2024-04-15 15:03:56,706][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:03:59,538][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:03:59,544][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:04:02,373][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:04:02,378][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:04:05,219][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:04:05,224][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:04:08,098][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:04:08,103][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:04:10,948][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:04:10,954][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:04:13,764][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:04:13,768][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:04:16,590][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:04:16,595][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:04:19,426][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:04:19,431][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:04:22,253][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:04:22,258][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:04:25,141][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:04:25,146][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:04:27,983][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:04:27,988][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:04:30,818][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:04:30,823][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:04:33,644][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:04:33,648][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:04:36,493][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:04:36,498][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:04:39,337][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:04:39,342][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:04:42,183][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:04:42,187][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:04:45,017][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:04:45,023][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:04:47,836][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:04:47,841][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:04:50,640][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:04:50,645][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:04:53,494][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:04:53,498][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:04:56,320][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:04:56,325][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:04:59,175][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:04:59,180][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:05:02,007][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:05:02,012][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:05:04,849][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:05:04,854][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:05:07,660][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:05:07,666][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:05:10,529][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:05:10,534][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:05:13,380][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:05:13,384][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:05:16,240][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:05:16,245][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:05:19,095][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:05:19,100][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:05:21,942][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:05:21,947][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:05:24,797][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:05:24,802][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:05:27,633][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:05:27,638][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:05:30,491][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:05:30,497][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:05:33,473][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:05:33,482][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:05:36,505][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:05:36,510][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:05:39,460][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:05:39,465][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:05:42,344][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:05:42,349][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:05:45,194][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:05:45,199][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:05:48,018][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:05:48,023][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:05:50,847][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:05:50,852][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:05:53,695][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:05:53,701][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:05:56,546][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:05:56,550][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:05:59,367][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:05:59,371][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:06:02,191][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:06:02,197][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:06:05,044][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:06:05,049][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:06:07,868][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 15:06:07,874][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:06:10,712][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 15:06:10,717][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:06:13,545][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 15:06:13,551][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:06:22,780][__main__][INFO] - Finished design in 2.49 minutes +[2024-04-15 15:06:22,781][__main__][INFO] - Making design testoutputs/binder_test_9 +[2024-04-15 15:06:22,797][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A11-151/0 100-100'] +[2024-04-15 15:06:22,850][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:06:26,016][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2024-04-15 15:06:26,020][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:06:28,876][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:06:28,882][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:06:31,737][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:06:31,741][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:06:34,529][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:06:34,534][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:06:37,361][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:06:37,365][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:06:40,239][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:06:40,245][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:06:43,097][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:06:43,103][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:06:45,915][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:06:45,920][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:06:48,766][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:06:48,772][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:06:51,604][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:06:51,609][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:06:54,430][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:06:54,435][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:06:57,278][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:06:57,283][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:07:00,125][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:07:00,130][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:07:02,952][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:07:02,958][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:07:05,785][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:07:05,789][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:07:08,597][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:07:08,602][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:07:11,408][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:07:11,413][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:07:14,276][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:07:14,282][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:07:17,138][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:07:17,143][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:07:19,978][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:07:19,983][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:07:22,826][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:07:22,835][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:07:25,712][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:07:25,718][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:07:28,573][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:07:28,580][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:07:31,410][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:07:31,414][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:07:34,265][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:07:34,270][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:07:37,118][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:07:37,123][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:07:39,976][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:07:39,980][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:07:42,801][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:07:42,807][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:07:45,632][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:07:45,636][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:07:48,460][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:07:48,466][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:07:51,300][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:07:51,306][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:07:54,137][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:07:54,141][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:07:56,955][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:07:56,959][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:07:59,795][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:07:59,800][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:08:02,622][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:08:02,626][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:08:05,448][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:08:05,453][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:08:08,289][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:08:08,294][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:08:11,201][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:08:11,206][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:08:14,078][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:08:14,083][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:08:16,933][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:08:16,939][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:08:19,759][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:08:19,765][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:08:22,604][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:08:22,609][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:08:25,422][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:08:25,427][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:08:28,272][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:08:28,277][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:08:31,134][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 15:08:31,140][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:08:33,983][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 15:08:33,989][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:08:36,830][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 15:08:36,836][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:08:39,672][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 15:08:39,678][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:08:42,502][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 15:08:42,506][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:08:51,513][__main__][INFO] - Finished design in 2.48 minutes +[2024-04-15 15:08:51,513][__main__][INFO] - Making design testoutputs/binder_test_10 +[2024-04-15 15:08:51,531][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A11-151/0 100-100'] +[2024-04-15 15:08:51,578][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:08:54,599][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2024-04-15 15:08:54,605][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:08:57,443][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:08:57,448][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:09:00,281][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:09:00,286][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:09:03,107][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:09:03,112][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:09:05,953][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:09:05,958][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:09:08,777][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:09:08,783][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:09:11,608][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:09:11,614][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:09:14,445][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:09:14,451][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:09:17,308][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:09:17,313][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:09:20,143][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:09:20,149][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:09:22,990][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:09:22,994][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:09:25,807][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:09:25,812][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:09:28,648][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:09:28,652][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:09:31,489][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:09:31,493][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:09:34,334][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:09:34,338][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:09:37,183][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:09:37,189][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:09:40,046][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:09:40,051][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:09:42,880][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:09:42,886][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:09:45,703][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:09:45,708][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:09:48,533][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:09:48,537][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:09:51,372][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:09:51,377][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:09:54,225][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:09:54,230][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:09:57,073][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:09:57,078][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:09:59,920][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:09:59,924][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:10:02,719][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:10:02,724][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:10:05,555][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:10:05,567][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:10:08,416][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:10:08,421][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:10:11,259][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:10:11,264][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:10:14,087][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:10:14,092][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:10:16,947][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:10:16,951][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:10:19,771][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:10:19,775][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:10:22,590][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:10:22,595][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:10:25,436][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:10:25,442][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:10:28,305][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:10:28,310][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:10:31,132][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:10:31,137][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:10:33,980][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:10:33,985][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:10:36,812][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:10:36,817][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:10:39,628][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:10:39,635][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:10:42,479][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:10:42,485][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:10:45,338][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:10:45,344][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:10:48,200][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:10:48,206][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:10:51,033][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:10:51,037][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:10:53,856][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:10:53,860][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:10:56,696][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:10:56,702][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:10:59,603][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 15:10:59,608][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:11:02,444][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 15:11:02,450][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:11:05,283][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 15:11:05,288][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:11:08,147][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 15:11:08,153][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:11:10,980][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 15:11:10,985][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:11:20,126][__main__][INFO] - Finished design in 2.48 minutes +[2024-04-15 15:11:20,127][__main__][INFO] - Making design testoutputs/binder_test_11 +[2024-04-15 15:11:20,154][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A11-151/0 100-100'] +[2024-04-15 15:11:20,206][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:11:23,295][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2024-04-15 15:11:23,300][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:11:26,119][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:11:26,124][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:11:28,960][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:11:28,966][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:11:31,812][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:11:31,817][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:11:34,670][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:11:34,678][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:11:37,518][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:11:37,522][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:11:40,351][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:11:40,356][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:11:43,174][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 15:11:43,179][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:11:46,018][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:11:46,023][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:11:48,872][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:11:48,878][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:11:51,711][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 15:11:51,715][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:11:54,564][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 15:11:54,568][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:11:57,388][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:11:57,391][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:12:00,190][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:12:00,194][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:12:03,016][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:12:03,021][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:12:05,869][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:12:05,873][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:12:08,714][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:12:08,719][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:12:11,557][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:12:11,564][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:12:14,420][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:12:14,425][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:12:17,274][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:12:17,278][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:12:20,081][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:12:20,086][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:12:22,922][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:12:22,927][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:12:25,747][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:12:25,753][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:12:28,598][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:12:28,602][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:12:31,428][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:12:31,433][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:12:34,274][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:12:34,279][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:12:37,089][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:12:37,094][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:12:39,905][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:12:39,911][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:12:42,760][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:12:42,766][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:12:45,611][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:12:45,617][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:12:48,475][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:12:48,480][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:12:51,317][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 15:12:51,323][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:12:54,157][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 15:12:54,174][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:12:57,007][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:12:57,012][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:12:59,827][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:12:59,833][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:13:02,669][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:13:02,675][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:13:05,504][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:13:05,510][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:13:08,338][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:13:08,342][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:13:11,169][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:13:11,175][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:13:14,003][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:13:14,008][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:13:16,829][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:13:16,835][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:13:19,701][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:13:19,707][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:13:22,550][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:13:22,555][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:13:25,400][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:13:25,404][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:13:28,244][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:13:28,248][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:13:31,087][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:13:31,091][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:13:33,897][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:13:33,902][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:13:36,719][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:13:36,726][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:13:39,566][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:13:39,572][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:13:48,710][__main__][INFO] - Finished design in 2.48 minutes +[2024-04-15 15:13:48,710][__main__][INFO] - Making design testoutputs/binder_test_12 +[2024-04-15 15:13:48,731][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A11-151/0 100-100'] +[2024-04-15 15:13:48,780][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:13:51,870][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2024-04-15 15:13:51,876][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:13:54,717][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:13:54,723][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:13:57,523][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:13:57,528][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:14:00,385][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:14:00,390][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:14:03,246][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:14:03,252][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:14:06,120][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:14:06,125][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:14:08,971][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:14:08,976][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:14:11,820][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:14:11,825][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:14:14,650][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:14:14,657][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:14:17,471][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:14:17,477][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:14:20,310][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:14:20,314][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:14:23,157][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:14:23,162][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:14:26,001][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:14:26,006][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:14:28,886][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:14:28,892][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:14:31,722][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:14:31,727][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:14:34,524][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:14:34,530][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:14:37,370][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:14:37,377][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:14:40,222][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:14:40,228][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:14:43,093][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:14:43,098][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:14:45,943][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:14:45,948][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:14:48,790][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:14:48,794][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:14:51,626][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:14:51,630][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:14:54,444][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:14:54,449][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:14:57,276][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:14:57,280][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:15:00,123][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:15:00,128][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:15:02,995][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:15:03,001][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:15:05,902][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:15:05,907][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:15:08,759][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:15:08,764][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:15:11,587][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:15:11,592][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:15:14,425][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:15:14,429][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:15:17,241][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:15:17,246][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:15:20,068][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:15:20,072][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:15:22,898][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:15:22,904][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:15:25,743][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:15:25,750][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:15:28,629][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:15:28,634][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:15:31,464][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 15:15:31,469][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:15:34,294][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:15:34,300][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:15:37,141][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 15:15:37,146][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:15:39,971][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 15:15:39,976][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:15:42,818][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 15:15:42,823][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:15:45,641][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 15:15:45,646][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:15:48,470][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 15:15:48,474][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:15:51,269][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 15:15:51,274][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:15:54,094][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 15:15:54,099][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:15:56,911][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 15:15:56,917][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:15:59,749][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 15:15:59,757][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:16:02,612][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 15:16:02,617][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:16:05,429][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 15:16:05,436][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:16:08,288][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 15:16:08,295][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:16:17,538][__main__][INFO] - Finished design in 2.48 minutes +[2024-04-15 15:16:17,538][__main__][INFO] - Making design testoutputs/binder_test_13 +[2024-04-15 15:16:17,563][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A11-151/0 100-100'] +[2024-04-15 15:16:17,620][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:16:20,771][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2024-04-15 15:16:20,776][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:16:23,617][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:16:23,621][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:16:26,444][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 15:16:26,449][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:16:29,287][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:16:29,294][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:16:32,149][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:16:32,154][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:16:34,961][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:16:34,966][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:16:37,803][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:16:37,808][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:16:40,646][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 15:16:40,651][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:16:43,480][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 15:16:43,485][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:16:46,334][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:16:46,339][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:16:49,191][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:16:49,196][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:16:52,049][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:16:52,055][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:16:54,879][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:16:54,883][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:16:57,706][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 15:16:57,711][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:17:00,552][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:17:00,557][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:17:03,410][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:17:03,414][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:17:06,253][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:17:06,258][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:17:09,113][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:17:09,118][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:17:11,937][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:17:11,943][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:17:14,809][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:17:14,814][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:17:17,684][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:17:17,690][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:17:20,530][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:17:20,535][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:17:23,423][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:17:23,429][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:17:26,255][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:17:26,261][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:17:29,126][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:17:29,131][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:17:31,942][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:17:31,948][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:17:34,774][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:17:34,779][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:17:37,616][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:17:37,620][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:17:40,442][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:17:40,447][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:17:43,309][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:17:43,313][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:17:46,138][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:17:46,142][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:17:48,973][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:17:48,978][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:17:51,801][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:17:51,806][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:17:54,686][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:17:54,691][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:17:57,533][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:17:57,541][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:18:00,382][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:18:00,387][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:18:03,252][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:18:03,257][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:18:06,089][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:18:06,094][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:18:08,915][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:18:08,921][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:18:11,735][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:18:11,741][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:18:14,580][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:18:14,586][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:18:17,441][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:18:17,446][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:18:20,274][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:18:20,279][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:18:23,111][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:18:23,116][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:18:25,966][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:18:25,970][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:18:28,776][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:18:28,781][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:18:31,613][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 15:18:31,618][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:18:34,453][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 15:18:34,458][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:18:37,271][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 15:18:37,276][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:18:46,385][__main__][INFO] - Finished design in 2.48 minutes +[2024-04-15 15:18:46,386][__main__][INFO] - Making design testoutputs/binder_test_14 +[2024-04-15 15:18:46,402][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A11-151/0 100-100'] +[2024-04-15 15:18:46,457][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:18:49,537][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2024-04-15 15:18:49,542][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:18:52,314][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:18:52,319][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:18:55,122][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:18:55,127][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:18:57,952][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:18:57,957][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:19:00,780][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:19:00,785][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:19:03,642][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:19:03,647][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:19:06,494][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:19:06,498][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:19:09,315][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:19:09,320][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:19:12,134][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:19:12,140][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:19:14,994][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:19:14,999][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:19:17,859][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:19:17,864][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:19:20,706][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:19:20,711][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:19:23,561][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:19:23,567][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:19:26,444][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:19:26,449][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:19:29,276][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:19:29,281][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:19:32,142][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:19:32,148][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:19:34,987][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:19:34,992][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:19:37,836][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:19:37,842][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:19:40,704][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:19:40,709][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:19:43,547][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:19:43,553][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:19:46,388][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:19:46,391][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:19:49,198][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:19:49,204][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:19:52,049][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:19:52,053][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:19:54,883][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:19:54,889][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:19:57,739][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:19:57,744][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:20:00,604][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:20:00,610][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:20:03,427][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:20:03,433][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:20:06,236][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:20:06,242][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:20:09,124][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:20:09,128][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:20:12,006][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:20:12,011][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:20:14,860][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:20:14,866][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:20:17,713][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:20:17,717][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:20:20,549][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:20:20,553][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:20:23,386][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:20:23,392][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:20:26,208][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:20:26,213][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:20:29,041][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:20:29,045][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:20:31,882][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:20:31,888][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:20:34,765][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:20:34,770][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:20:37,660][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:20:37,672][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:20:40,524][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:20:40,528][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:20:43,361][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:20:43,366][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:20:46,172][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:20:46,177][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:20:49,021][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:20:49,025][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:20:51,847][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:20:51,852][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:20:54,672][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:20:54,676][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:20:57,499][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:20:57,505][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:21:00,326][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:21:00,331][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:21:03,142][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:21:03,146][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:21:05,973][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:21:05,978][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:21:14,995][__main__][INFO] - Finished design in 2.48 minutes +[2024-04-15 15:21:14,995][__main__][INFO] - Making design testoutputs/binder_test_15 +[2024-04-15 15:21:15,012][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A11-151/0 100-100'] +[2024-04-15 15:21:15,065][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:21:18,211][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.16 +[2024-04-15 15:21:18,215][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:21:21,118][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:21:21,124][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:21:23,992][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:21:23,996][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:21:26,800][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:21:26,805][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:21:29,657][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:21:29,661][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:21:32,500][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:21:32,504][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:21:35,366][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:21:35,373][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:21:38,217][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 15:21:38,223][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:21:41,073][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:21:41,078][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:21:43,939][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:21:43,944][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:21:46,758][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:21:46,763][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:21:49,607][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:21:49,612][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:21:52,445][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:21:52,450][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:21:55,294][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:21:55,299][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:21:58,156][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:21:58,161][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:22:01,001][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:22:01,007][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:22:03,866][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:22:03,872][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:22:06,691][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:22:06,696][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:22:09,533][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:22:09,537][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:22:12,369][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:22:12,375][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:22:15,210][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:22:15,215][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:22:18,063][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:22:18,068][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:22:20,940][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:22:20,947][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:22:23,852][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:22:23,857][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:22:26,703][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:22:26,708][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:22:29,549][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:22:29,554][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:22:32,379][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:22:32,382][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:22:35,207][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:22:35,211][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:22:38,058][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:22:38,063][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:22:40,893][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:22:40,899][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:22:43,738][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:22:43,742][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:22:46,576][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:22:46,579][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:22:49,429][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:22:49,435][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:22:52,287][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:22:52,292][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:22:55,125][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:22:55,130][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:22:57,942][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:22:57,947][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:23:00,785][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:23:00,792][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:23:03,603][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:23:03,609][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:23:06,453][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:23:06,458][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:23:09,284][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:23:09,289][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:23:12,130][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:23:12,135][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:23:14,974][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:23:14,978][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:23:17,813][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:23:17,825][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:23:20,628][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:23:20,632][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:23:23,454][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:23:23,458][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:23:26,279][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:23:26,285][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:23:29,124][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:23:29,130][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:23:31,971][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:23:31,977][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:23:34,804][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:23:34,809][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:23:43,756][__main__][INFO] - Finished design in 2.48 minutes +[2024-04-15 15:23:43,757][__main__][INFO] - Making design testoutputs/binder_test_16 +[2024-04-15 15:23:43,774][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A11-151/0 100-100'] +[2024-04-15 15:23:43,822][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:23:46,973][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.16 +[2024-04-15 15:23:46,978][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:23:49,800][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:23:49,807][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:23:52,668][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:23:52,674][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:23:55,525][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:23:55,530][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:23:58,359][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 15:23:58,364][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:24:01,216][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:24:01,222][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:24:04,036][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:24:04,040][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:24:06,847][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 15:24:06,851][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:24:09,704][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 15:24:09,711][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:24:12,554][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:24:12,559][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:24:15,398][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 15:24:15,403][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:24:18,249][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 15:24:18,253][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:24:21,072][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:24:21,078][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:24:23,977][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:24:23,982][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:24:26,862][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:24:26,869][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:24:29,977][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:24:29,982][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:24:32,850][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:24:32,856][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:24:35,728][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:24:35,734][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:24:38,566][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:24:38,571][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:24:41,408][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:24:41,412][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:24:44,235][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:24:44,240][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:24:47,102][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:24:47,107][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:24:49,952][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:24:49,958][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:24:52,843][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:24:52,849][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:24:55,672][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:24:55,677][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:24:58,523][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:24:58,527][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:25:01,360][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:25:01,364][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:25:04,188][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:25:04,192][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:25:07,034][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:25:07,040][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:25:09,870][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:25:09,876][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:25:12,708][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:25:12,713][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:25:15,566][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:25:15,570][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:25:18,396][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:25:18,401][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:25:21,218][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:25:21,223][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:25:24,060][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:25:24,067][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:25:26,914][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 15:25:26,918][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:25:29,744][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 15:25:29,748][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:25:32,575][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 15:25:32,580][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:25:35,435][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 15:25:35,438][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:25:38,256][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 15:25:38,261][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:25:41,093][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 15:25:41,098][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:25:43,951][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 15:25:43,957][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:25:46,789][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 15:25:46,793][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:25:49,626][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 15:25:49,632][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:25:52,492][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 15:25:52,497][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:25:55,335][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 15:25:55,346][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:25:58,150][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 15:25:58,155][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:26:00,986][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 15:26:00,991][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:26:03,853][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 15:26:03,862][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:26:12,924][__main__][INFO] - Finished design in 2.49 minutes +[2024-04-15 15:26:12,925][__main__][INFO] - Making design testoutputs/binder_test_17 +[2024-04-15 15:26:12,946][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A11-151/0 100-100'] +[2024-04-15 15:26:13,001][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:26:16,433][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2024-04-15 15:26:16,438][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:26:19,365][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:26:19,369][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:26:22,261][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:26:22,266][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:26:25,143][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:26:25,148][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:26:28,007][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:26:28,013][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:26:30,966][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:26:30,972][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:26:33,896][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:26:33,902][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:26:36,791][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:26:36,796][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:26:39,708][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:26:39,712][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:26:42,599][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:26:42,604][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:26:45,502][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:26:45,506][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:26:48,355][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:26:48,360][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:26:51,249][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:26:51,254][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:26:54,171][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:26:54,175][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:26:57,044][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:26:57,049][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:26:59,935][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:26:59,941][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:27:02,848][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:27:02,852][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:27:05,759][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:27:05,764][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:27:08,602][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:27:08,608][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:27:11,525][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:27:11,532][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:27:14,427][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:27:14,438][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:27:17,344][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:27:17,350][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:27:20,255][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:27:20,261][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:27:23,164][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:27:23,168][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:27:26,031][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:27:26,035][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:27:28,903][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:27:28,909][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:27:31,780][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:27:31,786][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:27:34,693][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:27:34,698][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:27:37,578][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:27:37,583][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:27:40,466][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:27:40,472][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:27:43,368][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:27:43,375][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:27:46,270][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:27:46,275][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:27:49,149][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:27:49,154][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:27:51,999][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:27:52,004][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:27:54,886][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:27:54,892][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:27:57,808][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:27:57,814][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:28:00,694][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:28:00,700][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:28:03,598][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:28:03,603][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:28:06,516][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:28:06,521][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:28:09,391][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:28:09,397][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:28:12,233][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:28:12,240][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:28:15,217][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 15:28:15,221][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:28:18,149][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:28:18,155][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:28:21,052][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:28:21,056][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:28:23,952][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:28:23,958][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:28:26,844][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:28:26,849][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:28:29,727][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:28:29,731][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:28:32,546][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 15:28:32,551][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:28:35,436][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:28:35,442][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:28:44,719][__main__][INFO] - Finished design in 2.53 minutes +[2024-04-15 15:28:44,720][__main__][INFO] - Making design testoutputs/binder_test_18 +[2024-04-15 15:28:44,736][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A11-151/0 100-100'] +[2024-04-15 15:28:44,791][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:28:47,979][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.16 +[2024-04-15 15:28:47,984][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:28:50,868][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:28:50,873][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:28:53,737][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:28:53,743][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:28:56,651][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:28:56,656][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:28:59,461][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:28:59,467][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:29:02,377][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:29:02,383][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:29:05,279][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 15:29:05,285][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:29:08,155][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:29:08,160][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:29:11,049][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 15:29:11,053][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:29:13,952][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 15:29:13,955][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:29:16,831][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 15:29:16,835][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:29:19,677][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 15:29:19,683][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:29:22,605][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:29:22,610][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:29:25,486][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:29:25,490][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:29:28,390][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:29:28,395][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:29:31,296][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:29:31,301][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:29:34,186][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:29:34,192][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:29:37,077][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:29:37,081][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:29:39,930][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:29:39,936][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:29:42,777][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:29:42,782][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:29:45,674][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:29:45,679][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:29:48,572][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:29:48,577][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:29:51,457][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:29:51,461][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:29:54,338][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:29:54,345][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:29:57,280][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:29:57,285][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:30:00,161][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:30:00,166][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:30:03,001][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:30:03,006][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:30:05,862][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:30:05,867][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:30:08,752][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:30:08,757][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:30:11,642][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:30:11,647][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:30:14,552][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:30:14,559][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:30:17,433][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:30:17,438][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:30:20,279][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:30:20,285][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:30:23,114][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:30:23,119][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:30:26,027][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:30:26,033][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:30:28,926][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:30:28,931][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:30:31,825][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:30:31,829][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:30:34,711][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:30:34,716][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:30:37,593][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:30:37,599][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:30:40,451][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:30:40,456][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:30:43,269][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:30:43,273][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:30:46,136][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:30:46,141][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:30:49,041][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:30:49,047][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:30:51,930][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:30:51,935][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:30:54,827][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:30:54,831][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:30:57,707][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:30:57,712][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:31:00,607][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 15:31:00,613][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:31:03,424][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 15:31:03,429][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:31:06,284][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:31:06,289][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:31:15,501][__main__][INFO] - Finished design in 2.51 minutes +[2024-04-15 15:31:15,502][__main__][INFO] - Making design testoutputs/binder_test_19 +[2024-04-15 15:31:15,526][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A11-151/0 100-100'] +[2024-04-15 15:31:15,579][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:31:18,671][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2024-04-15 15:31:18,675][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:31:21,585][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:31:21,590][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:31:24,477][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:31:24,481][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:31:27,347][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:31:27,353][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:31:30,168][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:31:30,173][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:31:33,075][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 15:31:33,080][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:31:35,965][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:31:35,970][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:31:38,874][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:31:38,880][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:31:41,770][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:31:41,775][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:31:44,654][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 15:31:44,658][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:31:47,532][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 15:31:47,536][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:31:50,370][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 15:31:50,374][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:31:53,243][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 15:31:53,248][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:31:56,155][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:31:56,161][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:31:59,053][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:31:59,058][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:32:01,982][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:32:01,986][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:32:04,863][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:32:04,868][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:32:07,755][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:32:07,759][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:32:10,571][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:32:10,576][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:32:13,482][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:32:13,487][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:32:16,523][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:32:16,528][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:32:19,474][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:32:19,479][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:32:22,394][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:32:22,400][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:32:25,323][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:32:25,329][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:32:28,228][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:32:28,233][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:32:31,090][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:32:31,096][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:32:33,921][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:32:33,926][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:32:36,844][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:32:36,849][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:32:39,763][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:32:39,770][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:32:42,666][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:32:42,670][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:32:45,558][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:32:45,565][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:32:48,477][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:32:48,481][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:32:51,383][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:32:51,386][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:32:54,207][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:32:54,212][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:32:57,106][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:32:57,111][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:33:00,025][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:33:00,029][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:33:02,946][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:33:02,951][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:33:05,817][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:33:05,821][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:33:08,706][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:33:08,712][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:33:11,605][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:33:11,610][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:33:14,458][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:33:14,464][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:33:17,326][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 15:33:17,331][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:33:20,229][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 15:33:20,234][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:33:23,109][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 15:33:23,114][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:33:25,992][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 15:33:25,997][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:33:28,905][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 15:33:28,912][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:33:31,805][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 15:33:31,809][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:33:34,633][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 15:33:34,639][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:33:37,503][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 15:33:37,508][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:33:46,706][__main__][INFO] - Finished design in 2.52 minutes +[2024-04-15 15:33:46,707][__main__][INFO] - Making design testoutputs/binder_test_20 +[2024-04-15 15:33:46,730][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A11-151/0 100-100'] +[2024-04-15 15:33:46,788][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:33:50,116][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2024-04-15 15:33:50,121][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:33:53,029][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:33:53,034][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:33:55,919][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:33:55,925][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:33:58,824][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:33:58,829][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:34:01,705][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:34:01,711][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:34:04,542][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:34:04,547][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:34:07,470][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:34:07,475][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:34:10,340][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 15:34:10,346][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:34:13,245][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 15:34:13,249][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:34:16,138][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:34:16,141][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:34:19,025][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:34:19,030][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:34:21,905][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:34:21,909][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:34:24,736][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 15:34:24,741][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:34:27,615][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:34:27,620][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:34:30,502][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:34:30,509][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:34:33,434][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:34:33,439][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:34:36,357][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:34:36,362][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:34:39,248][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:34:39,254][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:34:42,131][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:34:42,136][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:34:44,982][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:34:44,988][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:34:47,836][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:34:47,842][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:34:50,751][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:34:50,756][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:34:53,656][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:34:53,662][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:34:56,545][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:34:56,551][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:34:59,443][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:34:59,450][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:35:02,349][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:35:02,354][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:35:05,223][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:35:05,227][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:35:08,064][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:35:08,069][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:35:10,940][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:35:10,945][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:35:13,844][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:35:13,849][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:35:16,747][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:35:16,752][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:35:19,661][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:35:19,665][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:35:22,518][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:35:22,522][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:35:25,406][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:35:25,411][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:35:28,241][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:35:28,247][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:35:31,134][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:35:31,138][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:35:34,013][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:35:34,018][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:35:36,898][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:35:36,904][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:35:39,803][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:35:39,810][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:35:42,737][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:35:42,741][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:35:45,617][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:35:45,621][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:35:48,448][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:35:48,453][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:35:51,344][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:35:51,348][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:35:54,228][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:35:54,233][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:35:57,118][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:35:57,123][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:36:00,022][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:36:00,027][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:36:02,935][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:36:02,940][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:36:05,811][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:36:05,814][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:36:08,613][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:36:08,618][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:36:17,761][__main__][INFO] - Finished design in 2.52 minutes +[2024-04-15 15:36:17,762][__main__][INFO] - Making design testoutputs/binder_test_21 +[2024-04-15 15:36:17,785][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A11-151/0 100-100'] +[2024-04-15 15:36:17,842][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:36:21,065][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.16 +[2024-04-15 15:36:21,069][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:36:23,987][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:36:23,992][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:36:26,852][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:36:26,857][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:36:29,756][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:36:29,761][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:36:32,650][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:36:32,655][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:36:35,463][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:36:35,467][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:36:38,330][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:36:38,335][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:36:41,238][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:36:41,242][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:36:44,110][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:36:44,114][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:36:46,984][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:36:46,990][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:36:49,883][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:36:49,889][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:36:52,791][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:36:52,796][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:36:55,620][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:36:55,625][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:36:58,485][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:36:58,490][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:37:01,404][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:37:01,409][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:37:04,309][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:37:04,314][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:37:07,234][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:37:07,239][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:37:10,122][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:37:10,127][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:37:13,007][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:37:13,012][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:37:15,866][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:37:15,870][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:37:18,701][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:37:18,707][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:37:21,618][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:37:21,623][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:37:24,505][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:37:24,509][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:37:27,389][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:37:27,394][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:37:30,304][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:37:30,308][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:37:33,187][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:37:33,193][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:37:36,051][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:37:36,058][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:37:38,908][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:37:38,917][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:37:41,822][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:37:41,828][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:37:44,736][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:37:44,741][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:37:47,625][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:37:47,629][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:37:50,507][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:37:50,512][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:37:53,417][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:37:53,423][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:37:56,284][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:37:56,291][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:37:59,123][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:37:59,128][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:38:02,010][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:38:02,015][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:38:04,928][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:38:04,933][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:38:07,829][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:38:07,836][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:38:10,742][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:38:10,748][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:38:13,631][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:38:13,637][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:38:16,521][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:38:16,525][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:38:19,356][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:38:19,362][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:38:22,268][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:38:22,273][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:38:25,160][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:38:25,165][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:38:28,070][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:38:28,075][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:38:30,969][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:38:30,974][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:38:33,846][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:38:33,851][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:38:36,729][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:38:36,733][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:38:39,590][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:38:39,595][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:38:48,597][__main__][INFO] - Finished design in 2.51 minutes +[2024-04-15 15:38:48,598][__main__][INFO] - Making design testoutputs/binder_test_22 +[2024-04-15 15:38:48,616][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A11-151/0 100-100'] +[2024-04-15 15:38:48,670][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:38:51,856][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2024-04-15 15:38:51,861][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:38:54,729][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:38:54,734][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:38:57,620][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:38:57,626][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:39:00,513][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:39:00,518][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:39:03,413][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:39:03,419][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:39:06,266][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:39:06,271][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:39:09,151][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 15:39:09,156][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:39:12,026][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:39:12,031][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:39:14,937][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 15:39:14,943][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:39:17,835][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:39:17,840][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:39:20,717][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:39:20,722][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:39:23,598][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:39:23,603][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:39:26,415][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:39:26,419][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:39:29,326][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:39:29,331][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:39:32,257][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:39:32,262][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:39:35,168][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:39:35,174][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:39:38,100][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:39:38,106][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:39:41,032][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:39:41,036][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:39:43,935][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:39:43,941][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:39:47,172][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:39:47,177][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:39:50,120][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:39:50,126][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:39:52,984][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:39:52,990][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:39:55,885][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:39:55,889][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:39:58,765][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:39:58,770][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:40:01,650][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:40:01,656][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:40:04,556][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:40:04,561][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:40:07,461][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:40:07,467][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:40:10,340][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:40:10,345][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:40:13,172][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:40:13,178][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:40:16,060][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:40:16,066][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:40:18,966][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:40:18,972][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:40:21,850][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:40:21,855][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:40:24,786][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:40:24,791][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:40:27,703][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:40:27,708][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:40:30,605][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:40:30,612][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:40:33,479][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:40:33,484][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:40:36,351][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:40:36,355][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:40:39,240][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:40:39,247][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:40:42,154][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:40:42,160][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:40:45,076][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:40:45,081][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:40:47,961][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:40:47,967][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:40:50,871][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:40:50,876][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:40:53,746][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:40:53,751][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:40:56,577][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:40:56,582][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:40:59,460][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:40:59,466][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:41:02,342][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:41:02,348][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:41:05,231][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:41:05,235][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:41:08,130][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:41:08,135][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:41:11,046][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:41:11,050][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:41:20,289][__main__][INFO] - Finished design in 2.53 minutes +[2024-04-15 15:41:20,289][__main__][INFO] - Making design testoutputs/binder_test_23 +[2024-04-15 15:41:20,310][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A11-151/0 100-100'] +[2024-04-15 15:41:20,368][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:41:23,464][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2024-04-15 15:41:23,469][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:41:26,362][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:41:26,367][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:41:29,239][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:41:29,243][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:41:32,118][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:41:32,124][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:41:35,010][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:41:35,016][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:41:37,928][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:41:37,934][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:41:40,807][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:41:40,810][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:41:43,628][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:41:43,633][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:41:46,494][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:41:46,499][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:41:49,355][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:41:49,361][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:41:52,252][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:41:52,256][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:41:55,166][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:41:55,171][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:41:58,061][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:41:58,066][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:42:00,963][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:42:00,967][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:42:03,821][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:42:03,826][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:42:06,680][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:42:06,686][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:42:09,568][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:42:09,573][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:42:12,472][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:42:12,476][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:42:15,386][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:42:15,391][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:42:18,305][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:42:18,309][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:42:21,189][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:42:21,194][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:42:24,077][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:42:24,082][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:42:26,924][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:42:26,929][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:42:29,808][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:42:29,813][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:42:32,730][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:42:32,735][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:42:35,627][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:42:35,632][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:42:38,536][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:42:38,541][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:42:41,449][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:42:41,455][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:42:44,371][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:42:44,375][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:42:47,216][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:42:47,222][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:42:50,094][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:42:50,099][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:42:52,992][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:42:52,999][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:42:55,897][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:42:55,903][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:42:58,808][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:42:58,813][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:43:01,730][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:43:01,735][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:43:04,598][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:43:04,604][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:43:07,459][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:43:07,464][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:43:10,333][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:43:10,340][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:43:13,219][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:43:13,225][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:43:16,104][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:43:16,109][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:43:19,005][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:43:19,010][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:43:21,896][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:43:21,902][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:43:24,791][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:43:24,796][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:43:27,657][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:43:27,666][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:43:30,473][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:43:30,480][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:43:33,354][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 15:43:33,360][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:43:36,255][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 15:43:36,260][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:43:39,154][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 15:43:39,158][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:43:42,072][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 15:43:42,076][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:43:51,292][__main__][INFO] - Finished design in 2.52 minutes +[2024-04-15 15:43:51,292][__main__][INFO] - Making design testoutputs/binder_test_24 +[2024-04-15 15:43:51,306][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A11-151/0 100-100'] +[2024-04-15 15:43:51,347][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:43:54,556][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2024-04-15 15:43:54,560][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:43:57,371][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:43:57,376][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:44:00,246][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:44:00,251][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:44:03,135][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:44:03,141][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:44:06,022][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:44:06,028][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:44:09,138][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:44:09,143][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:44:12,035][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:44:12,040][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:44:15,640][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:44:15,645][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:44:18,627][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:44:18,632][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:44:21,541][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:44:21,546][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:44:24,937][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:44:24,943][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:44:27,845][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:44:27,849][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:44:30,735][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:44:30,739][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:44:33,661][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:44:33,666][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:44:36,597][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:44:36,602][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:44:39,515][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:44:39,521][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:44:42,449][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:44:42,455][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:44:45,422][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:44:45,427][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:44:48,332][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:44:48,336][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:44:51,190][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:44:51,195][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:44:54,097][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:44:54,103][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:44:57,058][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:44:57,064][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:44:59,971][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:44:59,979][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:45:02,967][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:45:02,973][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:45:05,857][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:45:05,864][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:45:08,773][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:45:08,778][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:45:11,681][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:45:11,687][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:45:14,507][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:45:14,511][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:45:17,374][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:45:17,379][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:45:20,296][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:45:20,302][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:45:23,209][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:45:23,214][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:45:26,124][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:45:26,130][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:45:29,022][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:45:29,027][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:45:31,920][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:45:31,926][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:45:34,783][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:45:34,786][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:45:37,627][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:45:37,631][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:45:40,513][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:45:40,517][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:45:43,422][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:45:43,427][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:45:46,301][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:45:46,306][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:45:49,197][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:45:49,203][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:45:52,098][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:45:52,104][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:45:54,941][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:45:54,947][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:45:57,828][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:45:57,834][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:46:00,757][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:46:00,762][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:46:03,671][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:46:03,675][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:46:06,593][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:46:06,597][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:46:09,475][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:46:09,480][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:46:12,393][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:46:12,398][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:46:15,287][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:46:15,291][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:46:24,381][__main__][INFO] - Finished design in 2.55 minutes +[2024-04-15 15:46:24,382][__main__][INFO] - Making design testoutputs/binder_test_25 +[2024-04-15 15:46:24,399][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A11-151/0 100-100'] +[2024-04-15 15:46:24,450][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:46:27,567][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2024-04-15 15:46:27,571][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:46:30,477][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:46:30,482][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:46:33,397][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:46:33,402][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:46:36,296][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:46:36,301][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:46:39,195][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:46:39,199][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:46:42,074][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:46:42,080][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:46:44,949][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:46:44,954][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:46:47,870][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:46:47,875][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:46:50,781][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:46:50,787][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:46:53,707][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:46:53,712][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:46:56,619][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:46:56,625][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:46:59,556][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:46:59,562][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:47:02,502][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:47:02,507][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:47:05,337][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:47:05,342][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:47:08,251][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:47:08,256][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:47:11,168][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:47:11,174][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:47:14,069][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:47:14,073][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:47:16,978][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:47:16,985][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:47:19,881][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:47:19,887][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:47:22,768][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:47:22,773][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:47:25,627][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:47:25,640][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:47:28,548][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:47:28,553][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:47:31,445][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:47:31,452][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:47:34,351][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:47:34,356][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:47:37,253][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:47:37,258][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:47:40,140][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:47:40,146][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:47:43,083][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:47:43,088][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:47:46,222][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:47:46,229][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:47:49,341][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:47:49,345][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:47:52,204][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:47:52,209][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:47:55,090][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:47:55,095][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:47:57,984][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:47:57,989][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:48:00,897][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:48:00,901][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:48:03,830][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:48:03,836][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:48:06,882][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:48:06,886][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:48:09,775][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:48:09,780][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:48:12,637][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:48:12,642][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:48:15,502][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:48:15,506][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:48:18,391][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:48:18,397][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:48:21,300][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:48:21,305][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:48:24,218][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:48:24,224][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:48:27,159][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:48:27,166][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:48:30,063][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:48:30,070][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:48:32,972][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:48:32,975][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:48:35,816][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:48:35,821][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:48:38,713][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:48:38,718][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:48:41,936][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:48:41,943][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:48:45,592][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:48:45,598][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:48:48,608][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:48:48,613][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:48:59,287][__main__][INFO] - Finished design in 2.58 minutes +[2024-04-15 15:48:59,287][__main__][INFO] - Making design testoutputs/binder_test_26 +[2024-04-15 15:48:59,313][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A11-151/0 100-100'] +[2024-04-15 15:48:59,383][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:49:02,795][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2024-04-15 15:49:02,800][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:49:05,777][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:49:05,784][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:49:08,911][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:49:08,915][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:49:12,038][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:49:12,046][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:49:15,567][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:49:15,575][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:49:19,125][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:49:19,131][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:49:22,640][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:49:22,645][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:49:26,349][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:49:26,356][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:49:29,655][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:49:29,659][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:49:33,310][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:49:33,314][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:49:36,995][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:49:37,009][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:49:40,719][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:49:40,725][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:49:44,206][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:49:44,212][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:49:47,284][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:49:47,291][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:49:50,569][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:49:50,575][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:49:54,397][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:49:54,405][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:49:57,921][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:49:57,926][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:50:01,174][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:50:01,181][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:50:04,360][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:50:04,367][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:50:07,451][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:50:07,457][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:50:10,893][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:50:10,898][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:50:14,523][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:50:14,531][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:50:17,702][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:50:17,709][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:50:20,795][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:50:20,801][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:50:24,009][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:50:24,016][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:50:27,529][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:50:27,534][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:50:30,976][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:50:30,982][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:50:34,155][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:50:34,161][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:50:37,377][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:50:37,382][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:50:40,687][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:50:40,692][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:50:43,864][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:50:43,871][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:50:47,107][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:50:47,111][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:50:50,200][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:50:50,205][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:50:53,521][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:50:53,527][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:50:56,903][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:50:56,910][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:50:59,883][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:50:59,888][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:51:03,229][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:51:03,235][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:51:06,409][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:51:06,415][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:51:09,672][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:51:09,677][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:51:13,006][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:51:13,013][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:51:16,360][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:51:16,365][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:51:19,461][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:51:19,466][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:51:22,618][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:51:22,624][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:51:26,171][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:51:26,177][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:51:29,561][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:51:29,566][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:51:32,534][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:51:32,539][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:51:35,511][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:51:35,517][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:51:38,661][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:51:38,667][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:51:41,836][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:51:41,842][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:51:51,727][__main__][INFO] - Finished design in 2.87 minutes +[2024-04-15 15:51:51,727][__main__][INFO] - Making design testoutputs/binder_test_27 +[2024-04-15 15:51:51,748][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A11-151/0 100-100'] +[2024-04-15 15:51:51,807][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:51:55,079][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2024-04-15 15:51:55,084][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:51:58,288][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:51:58,294][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:52:01,740][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:52:01,744][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:52:05,478][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:52:05,483][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:52:09,296][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:52:09,301][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:52:13,329][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:52:13,335][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:52:17,025][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:52:17,031][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:52:20,221][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:52:20,227][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:52:23,197][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:52:23,201][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:52:26,164][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:52:26,174][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:52:29,145][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:52:29,149][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:52:32,124][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:52:32,129][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:52:35,091][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:52:35,097][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:52:38,154][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:52:38,159][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:52:41,119][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:52:41,123][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:52:44,196][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:52:44,200][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:52:47,248][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:52:47,252][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:52:51,142][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:52:51,149][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:52:54,302][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:52:54,308][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:52:57,384][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:52:57,390][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:53:00,430][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:53:00,436][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:53:03,449][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:53:03,457][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:53:06,918][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:53:06,924][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:53:10,339][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:53:10,343][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:53:13,579][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:53:13,583][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:53:16,493][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:53:16,498][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:53:19,466][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:53:19,472][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:53:22,431][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:53:22,436][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:53:25,404][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:53:25,410][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:53:28,399][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:53:28,404][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:53:31,410][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:53:31,416][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:53:34,399][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:53:34,405][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:53:37,314][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:53:37,318][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:53:40,243][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:53:40,247][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:53:43,186][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:53:43,190][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:53:46,161][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:53:46,166][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:53:49,155][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:53:49,161][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:53:52,120][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:53:52,124][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:53:55,093][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:53:55,100][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:53:58,082][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:53:58,088][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:54:01,020][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:54:01,024][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:54:03,914][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:54:03,919][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:54:06,879][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:54:06,883][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:54:09,832][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:54:09,838][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:54:12,813][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:54:12,818][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:54:15,773][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:54:15,779][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:54:18,724][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:54:18,728][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:54:21,673][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:54:21,678][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:54:24,627][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 15:54:24,632][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:54:33,891][__main__][INFO] - Finished design in 2.70 minutes +[2024-04-15 15:54:33,891][__main__][INFO] - Making design testoutputs/binder_test_28 +[2024-04-15 15:54:33,909][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A11-151/0 100-100'] +[2024-04-15 15:54:33,956][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:54:37,224][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2024-04-15 15:54:37,229][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:54:40,187][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:54:40,192][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:54:43,146][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:54:43,151][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:54:46,109][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:54:46,114][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:54:49,084][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:54:49,089][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:54:52,052][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:54:52,056][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:54:55,038][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:54:55,043][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:54:57,966][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:54:57,971][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:55:00,878][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:55:00,883][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:55:03,803][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:55:03,808][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:55:06,766][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:55:06,770][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:55:09,744][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:55:09,749][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:55:12,693][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:55:12,697][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:55:15,673][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:55:15,678][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:55:18,650][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:55:18,657][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:55:21,636][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:55:21,641][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:55:24,593][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:55:24,598][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:55:27,521][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:55:27,525][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:55:30,480][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:55:30,486][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:55:33,450][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:55:33,455][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:55:36,433][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:55:36,437][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:55:39,367][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:55:39,372][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:55:42,348][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:55:42,352][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:55:45,352][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:55:45,357][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:55:48,319][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:55:48,325][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:55:51,244][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:55:51,250][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:55:54,187][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:55:54,194][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:55:57,140][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:55:57,144][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:56:00,103][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:56:00,108][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:56:03,067][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:56:03,073][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:56:06,043][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:56:06,048][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:56:09,034][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:56:09,039][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:56:11,972][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:56:11,977][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:56:14,948][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:56:14,956][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:56:17,860][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:56:17,866][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:56:20,834][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:56:20,839][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:56:23,765][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:56:23,770][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:56:26,716][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:56:26,725][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:56:29,671][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:56:29,675][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:56:32,603][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:56:32,608][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:56:35,546][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:56:35,552][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:56:38,508][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:56:38,511][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:56:41,362][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:56:41,367][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:56:44,327][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:56:44,332][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:56:47,282][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:56:47,286][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:56:50,259][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:56:50,264][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:56:53,261][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:56:53,266][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:56:56,222][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:56:56,226][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:56:59,218][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:56:59,223][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:57:08,376][__main__][INFO] - Finished design in 2.57 minutes +[2024-04-15 15:57:08,376][__main__][INFO] - Making design testoutputs/binder_test_29 +[2024-04-15 15:57:08,395][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A11-151/0 100-100'] +[2024-04-15 15:57:08,441][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:57:11,643][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2024-04-15 15:57:11,647][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:57:14,546][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:57:14,552][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:57:17,522][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:57:17,527][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:57:20,495][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:57:20,500][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:57:23,477][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:57:23,482][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:57:26,468][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:57:26,474][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:57:29,451][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:57:29,456][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:57:32,411][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:57:32,416][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:57:35,380][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:57:35,384][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:57:38,279][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:57:38,283][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:57:41,211][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:57:41,216][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:57:44,179][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:57:44,183][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:57:47,152][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:57:47,157][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:57:50,117][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:57:50,122][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:57:53,112][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:57:53,118][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:57:56,077][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:57:56,082][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:57:59,062][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:57:59,067][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:58:01,955][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:58:01,959][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:58:04,907][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:58:04,912][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:58:07,903][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:58:07,909][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:58:10,883][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:58:10,888][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:58:13,853][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:58:13,858][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:58:16,799][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:58:16,804][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:58:19,787][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:58:19,792][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:58:22,732][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:58:22,736][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:58:25,662][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:58:25,667][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:58:28,572][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:58:28,578][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:58:31,548][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:58:31,553][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:58:34,507][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:58:34,512][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:58:37,495][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:58:37,500][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:58:40,463][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:58:40,470][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:58:43,439][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:58:43,444][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:58:46,403][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:58:46,408][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:58:49,351][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:58:49,358][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:58:52,280][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:58:52,285][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:58:55,208][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:58:55,213][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:58:58,165][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:58:58,170][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:59:01,130][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:59:01,135][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:59:04,104][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:59:04,109][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:59:07,034][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:59:07,040][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:59:10,019][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:59:10,024][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:59:12,987][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:59:12,992][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:59:15,920][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:59:15,926][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:59:18,849][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:59:18,855][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:59:21,759][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:59:21,764][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:59:24,706][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:59:24,713][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:59:27,663][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:59:27,668][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:59:30,602][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:59:30,608][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:59:33,592][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:59:33,597][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:59:42,819][__main__][INFO] - Finished design in 2.57 minutes +[2024-04-15 15:59:42,820][__main__][INFO] - Making design testoutputs/binder_test_30 +[2024-04-15 15:59:42,837][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A11-151/0 100-100'] +[2024-04-15 15:59:42,895][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:59:45,945][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2024-04-15 15:59:45,951][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:59:48,916][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2024-04-15 15:59:48,921][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:59:51,904][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:59:51,909][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:59:54,871][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:59:54,876][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 15:59:57,806][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 15:59:57,812][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:00:00,786][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:00:00,790][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:00:03,776][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:00:03,784][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:00:06,747][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:00:06,752][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:00:09,685][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:00:09,691][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:00:12,571][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:00:12,577][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:00:15,544][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:00:15,548][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:00:18,518][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:00:18,524][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:00:21,469][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:00:21,474][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:00:24,433][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:00:24,439][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:00:27,390][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:00:27,395][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:00:30,350][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:00:30,355][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:00:33,324][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:00:33,328][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:00:36,250][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:00:36,257][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:00:39,179][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:00:39,184][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:00:42,150][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:00:42,158][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:00:45,140][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:00:45,147][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:00:48,109][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:00:48,113][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:00:51,057][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:00:51,063][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:00:54,018][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:00:54,023][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:00:56,986][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:00:56,992][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:00:59,943][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:00:59,946][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:01:02,840][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:01:02,845][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:01:05,804][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:01:05,809][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:01:08,730][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:01:08,735][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:01:11,713][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:01:11,718][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:01:14,700][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2024-04-15 16:01:14,705][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:01:17,669][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2024-04-15 16:01:17,673][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:01:20,627][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2024-04-15 16:01:20,632][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:01:23,580][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:01:23,583][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:01:26,500][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:01:26,505][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:01:29,441][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:01:29,446][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:01:32,468][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:01:32,472][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:01:35,468][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:01:35,476][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:01:38,455][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:01:38,460][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:01:41,425][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:01:41,430][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:01:44,374][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:01:44,379][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:01:47,334][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:01:47,340][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:01:50,302][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:01:50,307][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:01:53,210][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:01:53,215][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:01:56,151][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:01:56,157][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:01:59,111][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:01:59,119][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:02:02,136][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:02:02,141][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:02:05,074][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:02:05,080][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:02:08,029][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:02:08,034][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:02:17,239][__main__][INFO] - Finished design in 2.57 minutes +[2024-04-15 16:02:17,239][__main__][INFO] - Making design testoutputs/binder_test_31 +[2024-04-15 16:02:17,255][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A11-151/0 100-100'] +[2024-04-15 16:02:17,302][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:02:20,474][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2024-04-15 16:02:20,479][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:02:23,366][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:02:23,371][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:02:26,324][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:02:26,328][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:02:29,304][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:02:29,309][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:02:32,264][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:02:32,269][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:02:35,226][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:02:35,231][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:02:38,224][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:02:38,229][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:02:41,188][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:02:41,194][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:02:44,151][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:02:44,157][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:02:47,038][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:02:47,045][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:02:49,990][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:02:49,996][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:02:52,990][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:02:52,996][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:02:55,971][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:02:55,976][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:02:58,964][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:02:58,969][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:03:01,917][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:03:01,922][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:03:04,890][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:03:04,894][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:03:07,841][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:03:07,847][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:03:10,768][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:03:10,774][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:03:13,691][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:03:13,696][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:03:16,647][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:03:16,651][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:03:19,620][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:03:19,625][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:03:22,603][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:03:22,608][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:03:25,598][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:03:25,603][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:03:28,548][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:03:28,553][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:03:31,517][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:03:31,521][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:03:34,501][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:03:34,506][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:03:37,418][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:03:37,423][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:03:40,367][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:03:40,372][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:03:43,338][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:03:43,342][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:03:46,294][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:03:46,299][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:03:49,241][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:03:49,246][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:03:52,228][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:03:52,233][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:03:55,177][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:03:55,181][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:03:58,141][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:03:58,146][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:04:01,079][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:04:01,084][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:04:03,968][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:04:03,973][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:04:06,980][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:04:06,984][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:04:09,953][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:04:09,958][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:04:12,878][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:04:12,882][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:04:15,844][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:04:15,849][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:04:18,800][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:04:18,805][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:04:21,742][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:04:21,747][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:04:24,732][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:04:24,737][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:04:27,649][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:04:27,653][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:04:30,599][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:04:30,606][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:04:33,555][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:04:33,561][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:04:36,499][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:04:36,505][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:04:39,440][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:04:39,446][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:04:42,378][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:04:42,382][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:04:51,593][__main__][INFO] - Finished design in 2.57 minutes +[2024-04-15 16:04:51,593][__main__][INFO] - Making design testoutputs/binder_test_32 +[2024-04-15 16:04:51,607][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A11-151/0 100-100'] +[2024-04-15 16:04:51,656][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:04:54,947][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2024-04-15 16:04:54,953][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:04:57,811][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:04:57,817][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:05:00,784][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:05:00,787][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:05:03,715][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:05:03,719][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:05:06,717][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:05:06,722][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:05:09,665][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:05:09,670][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:05:12,633][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:05:12,637][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:05:15,611][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:05:15,616][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:05:18,546][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:05:18,551][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:05:21,514][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:05:21,519][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:05:24,411][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:05:24,416][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:05:27,367][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:05:27,372][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:05:30,328][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:05:30,334][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:05:33,279][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:05:33,283][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:05:36,284][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:05:36,290][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:05:39,296][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:05:39,302][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:05:42,263][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:05:42,268][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:05:45,171][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:05:45,175][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:05:48,035][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:05:48,040][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:05:51,011][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:05:51,016][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:05:53,963][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:05:53,968][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:05:56,886][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:05:56,890][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:05:59,834][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:05:59,840][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:06:02,813][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:06:02,818][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:06:05,768][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:06:05,772][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:06:08,709][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:06:08,714][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:06:11,605][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:06:11,613][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:06:14,568][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:06:14,573][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:06:17,521][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:06:17,525][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:06:20,468][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:06:20,473][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:06:23,450][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:06:23,455][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:06:26,416][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:06:26,420][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:06:29,371][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:06:29,377][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:06:32,330][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:06:32,336][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:06:35,240][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:06:35,248][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:06:38,132][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:06:38,136][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:06:41,063][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:06:41,067][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:06:43,997][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:06:44,003][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:06:46,952][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:06:46,957][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:06:49,915][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:06:49,920][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:06:52,872][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:06:52,879][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:06:55,846][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:06:55,850][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:06:58,782][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:06:58,788][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:07:01,681][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:07:01,685][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:07:04,600][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:07:04,605][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:07:07,560][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:07:07,566][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:07:10,491][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:07:10,496][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:07:13,434][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:07:13,440][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:07:16,387][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:07:16,393][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:07:25,649][__main__][INFO] - Finished design in 2.57 minutes +[2024-04-15 16:07:25,650][__main__][INFO] - Making design testoutputs/binder_test_33 +[2024-04-15 16:07:25,670][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A11-151/0 100-100'] +[2024-04-15 16:07:25,723][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:07:28,950][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2024-04-15 16:07:28,954][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:07:31,849][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:07:31,853][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:07:34,769][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:07:34,774][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:07:37,735][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:07:37,740][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:07:40,666][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:07:40,671][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:07:43,626][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:07:43,632][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:07:46,623][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:07:46,630][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:07:49,617][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:07:49,623][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:07:52,619][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:07:52,623][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:07:55,533][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:07:55,540][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:07:58,491][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:07:58,497][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:08:01,443][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:08:01,449][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:08:04,414][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:08:04,420][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:08:07,451][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:08:07,456][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:08:10,406][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:08:10,412][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:08:13,382][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:08:13,387][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:08:16,338][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:08:16,344][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:08:19,286][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:08:19,292][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:08:22,174][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:08:22,178][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:08:25,124][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:08:25,129][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:08:28,067][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:08:28,072][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:08:31,037][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:08:31,042][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:08:34,014][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:08:34,019][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:08:36,980][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:08:36,986][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:08:39,946][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:08:39,950][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:08:42,896][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:08:42,902][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:08:45,775][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:08:45,781][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:08:48,712][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:08:48,717][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:08:51,651][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:08:51,656][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:08:54,612][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:08:54,617][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:08:57,556][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:08:57,560][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:09:00,511][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:09:00,516][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:09:03,468][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:09:03,474][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:09:06,402][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:09:06,406][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:09:09,297][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:09:09,302][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:09:12,238][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:09:12,242][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:09:15,233][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:09:15,239][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:09:18,192][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:09:18,197][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:09:21,145][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:09:21,151][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:09:24,094][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:09:24,100][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:09:27,057][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:09:27,062][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:09:30,011][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:09:30,017][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:09:32,900][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:09:32,907][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:09:35,815][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:09:35,821][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:09:38,737][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:09:38,742][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:09:41,689][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:09:41,695][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:09:44,614][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:09:44,619][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:09:47,559][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:09:47,564][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:09:50,490][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:09:50,496][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:09:59,874][__main__][INFO] - Finished design in 2.57 minutes +[2024-04-15 16:09:59,874][__main__][INFO] - Making design testoutputs/binder_test_34 +[2024-04-15 16:09:59,891][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A11-151/0 100-100'] +[2024-04-15 16:09:59,941][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:10:03,078][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2024-04-15 16:10:03,086][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:10:05,989][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:10:05,995][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:10:08,941][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:10:08,946][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:10:11,901][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:10:11,906][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:10:14,834][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:10:14,839][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:10:17,781][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:10:17,786][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:10:20,761][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:10:20,767][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:10:23,732][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:10:23,736][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:10:26,645][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:10:26,651][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:10:29,564][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:10:29,570][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:10:32,494][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:10:32,500][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:10:35,427][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:10:35,432][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:10:38,402][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:10:38,406][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:10:41,341][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:10:41,346][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:10:44,336][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:10:44,341][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:10:47,300][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:10:47,303][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:10:50,236][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:10:50,244][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:10:53,156][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:10:53,165][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:10:56,110][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:10:56,115][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:10:59,062][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:10:59,069][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:11:02,053][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:11:02,058][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:11:05,079][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:11:05,083][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:11:08,042][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:11:08,048][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:11:10,994][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:11:10,998][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:11:13,944][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:11:13,949][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:11:16,819][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:11:16,823][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:11:19,796][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:11:19,802][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:11:22,757][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:11:22,762][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:11:25,713][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:11:25,718][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:11:28,692][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:11:28,698][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:11:31,654][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:11:31,657][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:11:34,594][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:11:34,598][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:11:37,536][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:11:37,541][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:11:40,441][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:11:40,446][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:11:43,365][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:11:43,370][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:11:46,349][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:11:46,354][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:11:49,315][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:11:49,319][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:11:52,242][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:11:52,247][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:11:55,210][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:11:55,216][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:11:58,171][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:11:58,177][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:12:01,123][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:12:01,129][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:12:04,085][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:12:04,089][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:12:06,959][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:12:06,965][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:12:09,909][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:12:09,914][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:12:12,872][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:12:12,877][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:12:15,866][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:12:15,871][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:12:18,792][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:12:18,798][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:12:21,745][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:12:21,751][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:12:24,677][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:12:24,683][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:12:33,818][__main__][INFO] - Finished design in 2.57 minutes +[2024-04-15 16:12:33,818][__main__][INFO] - Making design testoutputs/binder_test_35 +[2024-04-15 16:12:33,834][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A11-151/0 100-100'] +[2024-04-15 16:12:33,881][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:12:37,103][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2024-04-15 16:12:37,109][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:12:40,051][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:12:40,057][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:12:43,008][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:12:43,014][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:12:45,946][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:12:45,952][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:12:48,940][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:12:48,944][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:12:51,890][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:12:51,896][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:12:54,842][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:12:54,847][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:12:57,783][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:12:57,788][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:13:00,683][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:13:00,688][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:13:03,625][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:13:03,630][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:13:06,597][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:13:06,601][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:13:09,541][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:13:09,546][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:13:12,528][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:13:12,533][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:13:15,521][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:13:15,526][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:13:18,533][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:13:18,537][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:13:21,511][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:13:21,516][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:13:24,443][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:13:24,448][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:13:27,369][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:13:27,374][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:13:30,311][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:13:30,317][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:13:33,308][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:13:33,313][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:13:36,255][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:13:36,260][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:13:39,235][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:13:39,240][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:13:42,219][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:13:42,223][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:13:45,159][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:13:45,166][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:13:48,118][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:13:48,123][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:13:51,020][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:13:51,026][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:13:53,991][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:13:53,996][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:13:56,953][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:13:56,958][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:13:59,941][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:13:59,946][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:14:02,872][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:14:02,876][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:14:05,816][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:14:05,820][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:14:08,747][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:14:08,753][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:14:11,678][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:14:11,682][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:14:14,543][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:14:14,548][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:14:17,488][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:14:17,493][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:14:20,445][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:14:20,450][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:14:23,410][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:14:23,414][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:14:26,390][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:14:26,395][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:14:29,349][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:14:29,354][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:14:32,263][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:14:32,269][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:14:35,217][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:14:35,224][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:14:38,166][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:14:38,171][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:14:41,086][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:14:41,091][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:14:44,016][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:14:44,021][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:14:46,954][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:14:46,958][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:14:49,873][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:14:49,879][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:14:52,813][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:14:52,817][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:14:55,759][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:14:55,766][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:14:58,702][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:14:58,708][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:15:07,802][__main__][INFO] - Finished design in 2.57 minutes +[2024-04-15 16:15:07,802][__main__][INFO] - Making design testoutputs/binder_test_36 +[2024-04-15 16:15:07,821][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A11-151/0 100-100'] +[2024-04-15 16:15:07,876][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:15:11,004][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2024-04-15 16:15:11,008][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:15:14,015][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:15:14,021][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:15:16,971][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:15:16,975][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:15:19,945][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:15:19,951][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:15:22,920][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:15:22,924][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:15:25,883][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:15:25,889][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:15:28,865][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:15:28,872][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:15:31,821][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:15:31,826][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:15:34,715][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:15:34,720][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:15:37,665][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:15:37,670][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:15:40,624][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:15:40,630][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:15:43,564][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:15:43,568][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:15:46,519][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:15:46,524][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:15:49,518][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:15:49,540][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:15:52,544][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:15:52,551][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:15:55,512][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:15:55,517][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:15:58,432][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:15:58,437][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:16:01,371][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:16:01,376][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:16:04,315][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:16:04,320][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:16:07,270][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:16:07,275][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:16:10,235][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:16:10,241][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:16:13,177][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:16:13,182][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:16:16,136][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:16:16,141][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:16:19,078][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:16:19,081][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:16:22,006][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:16:22,011][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:16:24,960][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:16:24,965][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:16:27,925][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:16:27,930][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:16:30,888][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:16:30,893][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:16:33,871][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:16:33,875][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:16:36,829][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:16:36,834][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:16:39,817][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:16:39,823][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:16:42,818][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:16:42,824][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:16:45,756][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:16:45,760][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:16:48,631][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:16:48,635][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:16:51,607][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:16:51,612][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:16:54,596][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:16:54,602][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:16:57,552][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:16:57,557][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:17:00,536][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:17:00,541][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:17:03,491][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:17:03,497][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:17:06,422][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:17:06,426][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:17:09,387][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:17:09,392][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:17:12,262][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:17:12,273][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:17:15,241][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:17:15,246][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:17:18,212][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:17:18,217][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:17:21,162][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:17:21,168][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:17:24,131][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:17:24,136][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:17:27,087][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:17:27,092][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:17:30,027][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:17:30,033][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:17:32,957][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:17:32,961][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:17:42,229][__main__][INFO] - Finished design in 2.57 minutes +[2024-04-15 16:17:42,230][__main__][INFO] - Making design testoutputs/binder_test_37 +[2024-04-15 16:17:42,247][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A11-151/0 100-100'] +[2024-04-15 16:17:42,303][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:17:45,445][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2024-04-15 16:17:45,449][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:17:48,366][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:17:48,371][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:17:51,293][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:17:51,298][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:17:54,233][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:17:54,239][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:17:57,198][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:17:57,203][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:18:00,134][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:18:00,139][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:18:03,092][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:18:03,096][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:18:05,992][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:18:05,997][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:18:08,911][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:18:08,918][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:18:11,885][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:18:11,890][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:18:14,847][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:18:14,852][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:18:17,833][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:18:17,839][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:18:20,796][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:18:20,801][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:18:23,782][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:18:23,786][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:18:26,705][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:18:26,711][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:18:29,625][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:18:29,630][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:18:32,526][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:18:32,530][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:18:35,464][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:18:35,469][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:18:38,437][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:18:38,442][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:18:41,415][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:18:41,420][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:18:44,400][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:18:44,405][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:18:47,388][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:18:47,393][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:18:50,371][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:18:50,377][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:18:53,332][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:18:53,336][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:18:56,198][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:18:56,206][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:18:59,117][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:18:59,122][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:19:02,053][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:19:02,058][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:19:04,989][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:19:04,994][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:19:07,949][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:19:07,954][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:19:10,916][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:19:10,921][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:19:13,873][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:19:13,880][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:19:16,825][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:19:16,828][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:19:19,715][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:19:19,720][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:19:22,645][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:19:22,651][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:19:25,589][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:19:25,595][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:19:28,520][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:19:28,526][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:19:31,478][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:19:31,485][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:19:34,419][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:19:34,422][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:19:37,343][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:19:37,349][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:19:40,310][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:19:40,314][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:19:43,239][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:19:43,244][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:19:46,122][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:19:46,127][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:19:49,066][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:19:49,072][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:19:52,053][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:19:52,058][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:19:55,003][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:19:55,007][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:19:57,941][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:19:57,946][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:20:00,891][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:20:00,895][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:20:03,796][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:20:03,801][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:20:06,702][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:20:06,707][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:20:15,859][__main__][INFO] - Finished design in 2.56 minutes +[2024-04-15 16:20:15,859][__main__][INFO] - Making design testoutputs/binder_test_38 +[2024-04-15 16:20:15,878][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A11-151/0 100-100'] +[2024-04-15 16:20:15,929][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:20:19,117][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.16 +[2024-04-15 16:20:19,122][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:20:22,076][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:20:22,081][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:20:25,030][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:20:25,036][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:20:27,990][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:20:27,995][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:20:30,954][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:20:30,960][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:20:33,887][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:20:33,893][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:20:36,802][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:20:36,807][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:20:39,736][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:20:39,743][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:20:42,670][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:20:42,676][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:20:45,650][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:20:45,655][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:20:48,579][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:20:48,584][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:20:51,535][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:20:51,539][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:20:54,487][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:20:54,492][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:20:57,459][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:20:57,462][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:21:00,388][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:21:00,393][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:21:03,280][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:21:03,284][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:21:06,204][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:21:06,209][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:21:09,171][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:21:09,175][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:21:12,144][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:21:12,150][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:21:15,104][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:21:15,110][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:21:18,081][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:21:18,087][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:21:21,039][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:21:21,045][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:21:23,983][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:21:23,990][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:21:26,876][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:21:26,880][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:21:29,854][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:21:29,858][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:21:32,822][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:21:32,827][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:21:35,790][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:21:35,795][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:21:38,754][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:21:38,759][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:21:41,712][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:21:41,716][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:21:44,680][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:21:44,685][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:21:47,609][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:21:47,613][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:21:50,478][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:21:50,483][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:21:53,413][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:21:53,417][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:21:56,380][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:21:56,384][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:21:59,326][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:21:59,331][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:22:02,307][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:22:02,312][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:22:05,254][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:22:05,259][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:22:08,193][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:22:08,199][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:22:11,161][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:22:11,167][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:22:14,085][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:22:14,091][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:22:16,995][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:22:17,000][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:22:19,920][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:22:19,924][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:22:22,847][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:22:22,852][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:22:25,822][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:22:25,828][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:22:28,765][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:22:28,770][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:22:31,713][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:22:31,719][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:22:34,668][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:22:34,672][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:22:37,610][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:22:37,617][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:22:40,511][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:22:40,517][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:22:49,756][__main__][INFO] - Finished design in 2.56 minutes +[2024-04-15 16:22:49,757][__main__][INFO] - Making design testoutputs/binder_test_39 +[2024-04-15 16:22:49,784][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A11-151/0 100-100'] +[2024-04-15 16:22:49,840][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:22:53,013][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2024-04-15 16:22:53,018][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:22:55,993][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:22:55,999][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:22:58,933][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:22:58,938][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:23:01,902][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:23:01,907][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:23:04,842][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:23:04,846][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:23:07,759][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:23:07,766][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:23:10,682][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:23:10,687][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:23:13,637][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:23:13,641][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:23:16,595][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:23:16,600][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:23:19,552][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:23:19,557][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:23:22,502][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:23:22,506][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:23:25,436][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:23:25,440][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:23:28,357][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:23:28,363][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:23:31,290][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:23:31,294][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:23:34,205][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:23:34,210][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:23:37,152][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:23:37,157][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:23:40,109][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:23:40,113][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:23:43,048][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:23:43,054][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:23:46,025][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:23:46,029][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:23:49,022][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:23:49,028][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:23:51,991][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:23:51,997][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:23:54,946][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:23:54,949][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:23:57,816][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:23:57,822][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:24:00,786][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:24:00,791][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:24:03,764][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:24:03,768][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:24:06,753][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:24:06,758][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:24:09,717][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:24:09,723][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:24:12,679][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:24:12,682][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:24:15,640][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:24:15,645][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:24:18,602][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:24:18,606][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:24:21,472][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:24:21,477][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:24:24,428][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:24:24,434][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:24:27,419][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:24:27,424][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:24:30,363][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:24:30,369][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:24:33,325][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:24:33,330][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:24:36,304][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:24:36,308][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:24:39,255][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:24:39,261][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:24:42,252][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:24:42,255][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:24:45,124][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:24:45,128][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:24:48,053][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:24:48,058][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:24:50,958][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:24:50,963][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:24:53,913][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:24:53,918][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:24:56,835][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:24:56,839][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:24:59,764][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:24:59,769][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:25:02,740][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:25:02,744][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:25:05,702][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:25:05,706][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:25:08,601][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:25:08,608][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:25:11,509][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:25:11,514][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:25:14,444][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:25:14,448][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:25:23,983][__main__][INFO] - Finished design in 2.57 minutes +[2024-04-15 16:25:23,983][__main__][INFO] - Making design testoutputs/binder_test_40 +[2024-04-15 16:25:24,000][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A11-151/0 100-100'] +[2024-04-15 16:25:24,051][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:25:27,252][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.16 +[2024-04-15 16:25:27,258][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:25:30,179][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:25:30,184][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:25:33,148][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:25:33,154][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:25:36,096][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:25:36,100][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:25:39,035][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:25:39,041][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:25:41,963][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:25:41,970][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:25:44,927][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:25:44,931][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:25:47,878][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:25:47,884][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:25:50,820][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:25:50,825][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:25:53,782][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:25:53,787][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:25:56,724][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:25:56,729][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:25:59,674][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:25:59,679][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:26:02,617][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:26:02,622][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:26:05,498][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:26:05,505][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:26:08,457][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:26:08,462][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:26:11,423][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:26:11,427][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:26:14,363][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:26:14,368][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:26:17,307][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:26:17,312][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:26:20,263][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:26:20,269][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:26:23,238][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:26:23,243][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:26:26,233][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:26:26,238][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:26:29,165][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:26:29,170][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:26:32,109][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:26:32,114][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:26:35,068][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:26:35,074][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:26:38,075][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:26:38,081][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:26:41,034][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:26:41,039][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:26:44,017][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:26:44,023][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:26:46,963][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:26:46,968][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:26:49,925][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:26:49,931][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:26:52,851][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:26:52,857][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:26:55,758][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:26:55,763][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:26:58,736][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:26:58,741][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:27:01,675][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:27:01,680][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:27:04,663][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:27:04,669][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:27:07,618][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:27:07,624][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:27:10,571][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:27:10,576][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:27:13,545][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:27:13,550][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:27:16,491][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:27:16,502][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:27:19,372][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:27:19,377][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:27:22,343][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:27:22,349][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:27:25,312][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:27:25,316][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:27:28,219][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:27:28,225][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:27:31,154][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:27:31,159][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:27:34,114][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:27:34,119][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:27:37,083][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:27:37,090][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:27:39,988][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:27:39,993][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:27:42,855][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:27:42,861][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:27:45,786][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:27:45,792][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:27:48,749][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:27:48,754][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:27:58,043][__main__][INFO] - Finished design in 2.57 minutes +[2024-04-15 16:27:58,044][__main__][INFO] - Making design testoutputs/binder_test_41 +[2024-04-15 16:27:58,071][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A11-151/0 100-100'] +[2024-04-15 16:27:58,119][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:28:01,339][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2024-04-15 16:28:01,343][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:28:04,309][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:28:04,314][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:28:07,255][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:28:07,260][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:28:10,205][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:28:10,210][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:28:13,098][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:28:13,104][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:28:16,017][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:28:16,022][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:28:18,965][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:28:18,970][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:28:21,963][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:28:21,969][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:28:24,921][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:28:24,926][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:28:27,884][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:28:27,890][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:28:30,843][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:28:30,848][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:28:33,814][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:28:33,819][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:28:36,771][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:28:36,777][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:28:39,662][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:28:39,667][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:28:42,619][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:28:42,625][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:28:45,594][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:28:45,599][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:28:48,554][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:28:48,562][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:28:51,530][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:28:51,536][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:28:54,504][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:28:54,511][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:28:57,441][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:28:57,446][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:29:00,382][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:29:00,387][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:29:03,278][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:29:03,283][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:29:06,249][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:29:06,255][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:29:09,262][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:29:09,267][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:29:12,255][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:29:12,260][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:29:15,221][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:29:15,226][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:29:18,165][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:29:18,170][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:29:21,118][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:29:21,123][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:29:24,055][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:29:24,060][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:29:26,958][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:29:26,963][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:29:29,876][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:29:29,881][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:29:32,793][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:29:32,798][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:29:35,748][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:29:35,753][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:29:38,720][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:29:38,725][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:29:41,684][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:29:41,693][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:29:44,659][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:29:44,665][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:29:47,614][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:29:47,620][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:29:50,545][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:29:50,550][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:29:53,472][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:29:53,476][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:29:56,418][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:29:56,424][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:29:59,374][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:29:59,379][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:30:02,350][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:30:02,355][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:30:05,308][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:30:05,313][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:30:08,265][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:30:08,270][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:30:11,224][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:30:11,229][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:30:14,154][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:30:14,160][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:30:17,037][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:30:17,043][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:30:19,969][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:30:19,976][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:30:22,947][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:30:22,952][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:30:32,112][__main__][INFO] - Finished design in 2.57 minutes +[2024-04-15 16:30:32,112][__main__][INFO] - Making design testoutputs/binder_test_42 +[2024-04-15 16:30:32,129][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A11-151/0 100-100'] +[2024-04-15 16:30:32,190][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:30:35,394][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2024-04-15 16:30:35,398][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:30:38,429][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:30:38,433][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:30:41,372][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:30:41,377][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:30:44,303][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:30:44,310][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:30:47,225][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:30:47,230][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:30:50,197][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:30:50,203][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:30:53,142][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:30:53,147][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:30:56,110][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:30:56,115][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:30:59,071][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:30:59,075][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:31:02,025][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:31:02,029][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:31:04,959][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:31:04,964][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:31:07,920][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:31:07,924][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:31:10,841][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:31:10,846][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:31:13,750][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:31:13,755][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:31:16,692][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:31:16,697][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:31:19,636][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:31:19,642][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:31:22,611][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:31:22,615][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:31:25,573][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:31:25,577][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:31:28,517][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:31:28,521][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:31:31,451][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:31:31,455][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:31:34,324][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:31:34,338][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:31:37,260][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:31:37,265][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:31:40,215][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:31:40,222][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:31:43,172][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:31:43,177][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:31:46,156][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:31:46,161][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:31:49,105][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:31:49,110][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:31:52,065][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:31:52,069][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:31:55,045][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:31:55,049][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:31:57,944][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:31:57,948][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:32:00,842][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:32:00,846][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:32:03,775][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:32:03,780][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:32:06,756][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:32:06,761][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:32:09,711][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:32:09,716][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:32:12,683][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:32:12,688][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:32:15,632][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:32:15,636][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:32:18,548][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:32:18,554][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:32:21,495][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:32:21,499][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:32:24,387][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:32:24,392][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:32:27,329][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:32:27,334][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:32:30,250][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:32:30,254][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:32:33,211][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:32:33,215][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:32:36,161][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:32:36,166][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:32:39,114][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:32:39,120][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:32:42,069][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:32:42,076][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:32:44,989][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:32:44,994][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:32:47,851][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:32:47,856][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:32:50,789][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:32:50,794][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:32:53,730][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:32:53,735][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:32:56,650][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:32:56,656][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:33:06,084][__main__][INFO] - Finished design in 2.57 minutes +[2024-04-15 16:33:06,084][__main__][INFO] - Making design testoutputs/binder_test_43 +[2024-04-15 16:33:06,103][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A11-151/0 100-100'] +[2024-04-15 16:33:06,156][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:33:09,276][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2024-04-15 16:33:09,281][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:33:12,195][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:33:12,200][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:33:15,110][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:33:15,115][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:33:17,976][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:33:17,980][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:33:20,917][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:33:20,922][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:33:23,886][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:33:23,892][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:33:26,826][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:33:26,831][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:33:29,781][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:33:29,785][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:33:32,727][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:33:32,732][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:33:35,675][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:33:35,680][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:33:38,641][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:33:38,647][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:33:41,526][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:33:41,532][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:33:44,502][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:33:44,507][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:33:47,477][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:33:47,481][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:33:50,434][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:33:50,440][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:33:53,397][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:33:53,402][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:33:56,360][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:33:56,365][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:33:59,324][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:33:59,330][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:34:02,285][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:34:02,289][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:34:05,202][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:34:05,209][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:34:08,164][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:34:08,168][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:34:11,123][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:34:11,127][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:34:14,066][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:34:14,071][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:34:17,054][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:34:17,059][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:34:20,012][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:34:20,018][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:34:23,002][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:34:23,007][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:34:25,957][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:34:25,963][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:34:28,922][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:34:28,927][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:34:31,841][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:34:31,846][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:34:34,774][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:34:34,780][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:34:37,719][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:34:37,724][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:34:40,695][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:34:40,700][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:34:43,644][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:34:43,649][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:34:46,602][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:34:46,607][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:34:49,566][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:34:49,572][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:34:52,502][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:34:52,506][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:34:55,455][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:34:55,460][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:34:58,348][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:34:58,352][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:35:01,299][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:35:01,304][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:35:04,228][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:35:04,233][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:35:07,159][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:35:07,164][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:35:10,087][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:35:10,091][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:35:13,024][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:35:13,029][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:35:16,008][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:35:16,014][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:35:18,918][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:35:18,925][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:35:21,829][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:35:21,834][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:35:24,831][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:35:24,836][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:35:27,747][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:35:27,752][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:35:30,697][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:35:30,701][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:35:39,953][__main__][INFO] - Finished design in 2.56 minutes +[2024-04-15 16:35:39,954][__main__][INFO] - Making design testoutputs/binder_test_44 +[2024-04-15 16:35:39,971][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A11-151/0 100-100'] +[2024-04-15 16:35:40,029][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:35:43,294][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2024-04-15 16:35:43,298][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:35:46,247][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:35:46,252][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:35:49,179][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:35:49,184][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:35:52,064][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:35:52,068][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:35:55,003][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:35:55,007][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:35:57,955][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:35:57,960][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:36:00,922][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:36:00,927][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:36:03,881][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:36:03,885][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:36:06,866][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:36:06,871][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:36:09,807][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:36:09,811][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:36:12,733][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:36:12,737][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:36:15,595][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:36:15,600][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:36:18,568][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:36:18,573][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:36:21,541][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:36:21,544][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:36:24,504][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:36:24,509][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:36:27,435][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:36:27,441][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:36:30,376][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:36:30,382][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:36:33,339][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:36:33,345][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:36:36,310][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2024-04-15 16:36:36,315][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:36:39,259][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:36:39,264][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:36:42,164][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:36:42,169][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:36:45,128][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:36:45,133][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:36:48,099][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:36:48,103][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:36:51,050][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:36:51,055][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:36:54,003][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:36:54,007][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:36:56,960][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:36:56,965][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:36:59,927][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:36:59,932][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:37:02,863][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:37:02,868][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:37:05,748][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:37:05,753][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:37:08,694][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:37:08,699][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:37:11,673][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:37:11,677][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:37:14,631][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:37:14,635][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:37:17,586][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:37:17,590][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:37:20,545][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:37:20,549][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:37:23,546][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:37:23,550][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:37:26,496][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:37:26,500][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:37:29,390][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:37:29,396][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:37:32,337][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:37:32,343][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:37:35,297][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:37:35,299][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:37:38,247][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:37:38,252][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:37:41,199][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:37:41,204][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:37:44,137][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:37:44,143][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:37:47,101][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:37:47,105][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:37:50,023][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:37:50,028][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:37:52,903][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:37:52,908][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:37:55,842][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:37:55,848][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:37:58,811][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:37:58,816][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:38:01,733][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:38:01,737][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:38:04,675][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:38:04,681][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:38:13,898][__main__][INFO] - Finished design in 2.57 minutes +[2024-04-15 16:38:13,899][__main__][INFO] - Making design testoutputs/binder_test_45 +[2024-04-15 16:38:13,918][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A11-151/0 100-100'] +[2024-04-15 16:38:13,974][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:38:17,189][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.16 +[2024-04-15 16:38:17,194][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:38:20,128][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:38:20,132][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:38:23,003][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:38:23,006][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:38:25,939][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:38:25,944][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:38:28,884][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:38:28,889][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:38:31,850][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:38:31,854][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:38:34,797][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:38:34,802][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:38:37,756][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:38:37,760][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:38:40,714][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:38:40,719][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:38:43,659][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:38:43,665][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:38:46,572][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:38:46,578][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:38:49,548][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:38:49,553][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:38:52,493][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:38:52,498][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:38:55,437][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:38:55,443][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:38:58,383][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:38:58,388][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:39:01,361][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:39:01,364][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:39:04,335][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:39:04,341][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:39:07,282][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:39:07,288][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:39:10,231][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:39:10,236][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:39:13,125][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:39:13,130][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:39:16,089][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:39:16,093][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:39:19,023][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:39:19,029][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:39:21,992][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:39:21,997][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:39:24,953][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:39:24,957][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:39:27,884][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:39:27,888][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:39:30,842][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:39:30,847][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:39:33,778][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:39:33,782][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:39:36,712][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:39:36,715][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:39:39,686][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:39:39,695][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:39:42,679][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:39:42,684][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:39:45,628][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:39:45,632][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:39:48,592][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:39:48,597][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:39:51,529][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:39:51,534][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:39:54,493][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:39:54,499][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:39:57,467][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:39:57,472][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:40:00,386][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:40:00,392][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:40:03,334][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:40:03,339][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:40:06,298][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:40:06,303][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:40:09,247][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:40:09,252][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:40:12,229][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:40:12,234][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:40:15,168][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:40:15,172][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:40:18,105][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:40:18,110][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:40:21,042][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:40:21,046][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:40:23,924][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:40:23,929][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:40:26,861][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:40:26,867][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:40:29,811][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:40:29,815][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:40:32,756][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:40:32,761][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:40:35,696][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:40:35,704][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:40:38,647][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:40:38,653][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:40:47,839][__main__][INFO] - Finished design in 2.57 minutes +[2024-04-15 16:40:47,840][__main__][INFO] - Making design testoutputs/binder_test_46 +[2024-04-15 16:40:47,855][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A11-151/0 100-100'] +[2024-04-15 16:40:47,897][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:40:51,089][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2024-04-15 16:40:51,094][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:40:53,957][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:40:53,962][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:40:56,923][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:40:56,928][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:40:59,880][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:40:59,884][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:41:02,811][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:41:02,816][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:41:05,784][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:41:05,789][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:41:08,743][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:41:08,749][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:41:11,715][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:41:11,721][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:41:14,704][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:41:14,709][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:41:17,652][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:41:17,657][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:41:20,551][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:41:20,555][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:41:23,524][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:41:23,529][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:41:26,497][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:41:26,502][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:41:29,475][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:41:29,479][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:41:32,418][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:41:32,423][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:41:35,398][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:41:35,404][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:41:38,368][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:41:38,373][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:41:41,309][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:41:41,315][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:41:44,178][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:41:44,184][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:41:47,158][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:41:47,163][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:41:50,125][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:41:50,129][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:41:53,083][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:41:53,088][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:41:56,050][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:41:56,055][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:41:59,025][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:41:59,030][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:42:01,982][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:42:01,987][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:42:04,948][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:42:04,953][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:42:07,881][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:42:07,886][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:42:10,830][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:42:10,834][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:42:13,794][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:42:13,798][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:42:16,747][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:42:16,751][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:42:19,695][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:42:19,700][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:42:22,662][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:42:22,668][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:42:25,627][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:42:25,632][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:42:28,573][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:42:28,578][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:42:31,482][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:42:31,486][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:42:34,354][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:42:34,358][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:42:37,294][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:42:37,299][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:42:40,251][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:42:40,257][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:42:43,222][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:42:43,227][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:42:46,167][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:42:46,171][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:42:49,121][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:42:49,126][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:42:52,054][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:42:52,058][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:42:54,955][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:42:54,961][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:42:57,874][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:42:57,880][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:43:00,846][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:43:00,850][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:43:03,799][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:43:03,804][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:43:06,732][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:43:06,737][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:43:09,678][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:43:09,683][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:43:12,617][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:43:12,622][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:43:21,692][__main__][INFO] - Finished design in 2.56 minutes +[2024-04-15 16:43:21,693][__main__][INFO] - Making design testoutputs/binder_test_47 +[2024-04-15 16:43:21,711][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A11-151/0 100-100'] +[2024-04-15 16:43:21,768][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:43:24,882][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2024-04-15 16:43:24,887][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:43:27,831][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:43:27,835][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:43:30,788][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:43:30,792][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:43:33,756][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:43:33,760][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:43:36,700][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:43:36,705][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:43:39,654][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:43:39,659][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:43:42,599][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:43:42,604][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:43:45,518][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:43:45,522][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:43:48,384][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:43:48,390][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:43:51,353][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:43:51,358][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:43:54,310][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:43:54,314][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:43:57,266][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:43:57,271][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:44:00,220][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:44:00,224][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:44:03,190][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:44:03,193][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:44:06,147][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:44:06,153][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:44:09,107][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:44:09,112][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:44:12,048][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:44:12,052][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:44:14,972][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:44:14,976][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:44:17,899][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:44:17,904][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:44:20,866][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:44:20,872][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:44:23,842][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:44:23,847][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:44:26,796][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:44:26,801][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:44:29,756][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:44:29,766][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:44:32,766][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:44:32,771][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:44:35,677][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:44:35,682][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:44:38,571][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:44:38,577][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:44:41,534][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:44:41,539][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:44:44,488][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:44:44,493][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:44:47,451][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:44:47,456][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:44:50,398][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:44:50,404][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:44:53,354][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:44:53,358][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:44:56,308][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:44:56,314][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:44:59,226][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:44:59,231][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:45:02,110][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:45:02,115][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:45:05,064][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:45:05,069][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:45:08,034][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:45:08,038][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:45:10,987][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:45:10,994][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:45:13,966][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:45:13,970][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:45:16,914][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:45:16,920][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:45:19,865][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:45:19,870][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:45:22,834][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:45:22,838][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:45:25,688][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:45:25,693][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:45:28,642][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:45:28,646][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:45:31,580][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:45:31,586][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:45:34,558][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:45:34,563][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:45:37,464][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:45:37,469][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:45:40,404][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:45:40,409][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:45:43,352][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:45:43,358][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:45:46,296][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:45:46,300][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:45:55,438][__main__][INFO] - Finished design in 2.56 minutes +[2024-04-15 16:45:55,439][__main__][INFO] - Making design testoutputs/binder_test_48 +[2024-04-15 16:45:55,457][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A11-151/0 100-100'] +[2024-04-15 16:45:55,513][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:45:58,791][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2024-04-15 16:45:58,795][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:46:01,740][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2024-04-15 16:46:01,745][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:46:04,711][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:46:04,717][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:46:07,659][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:46:07,663][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:46:10,630][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:46:10,635][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:46:13,559][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:46:13,565][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:46:16,533][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:46:16,537][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:46:19,410][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:46:19,414][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:46:22,357][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:46:22,362][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:46:25,326][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:46:25,331][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:46:28,292][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:46:28,297][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:46:31,246][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:46:31,252][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:46:34,205][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:46:34,209][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:46:37,176][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:46:37,181][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:46:40,133][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:46:40,136][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:46:43,036][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:46:43,043][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:46:45,998][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:46:46,003][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:46:48,964][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:46:48,969][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:46:51,940][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:46:51,944][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:46:54,876][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:46:54,880][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:46:57,880][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:46:57,887][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:47:00,839][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:47:00,844][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:47:03,769][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:47:03,774][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:47:06,705][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:47:06,709][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:47:09,597][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:47:09,602][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:47:12,565][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:47:12,570][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:47:15,518][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:47:15,523][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:47:18,489][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:47:18,492][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:47:21,430][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:47:21,434][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:47:24,364][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:47:24,369][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:47:27,319][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:47:27,324][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:47:30,238][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:47:30,243][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:47:33,168][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:47:33,172][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:47:36,084][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:47:36,088][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:47:39,051][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:47:39,057][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:47:42,026][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:47:42,031][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:47:44,965][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:47:44,970][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:47:47,933][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:47:47,938][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:47:50,886][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:47:50,892][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:47:53,803][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:47:53,807][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:47:56,687][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:47:56,693][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:47:59,617][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:47:59,620][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:48:02,546][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:48:02,551][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:48:05,503][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:48:05,508][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:48:08,435][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:48:08,440][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:48:11,402][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:48:11,407][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:48:14,372][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:48:14,376][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:48:17,297][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:48:17,302][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:48:20,181][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:48:20,185][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:48:29,375][__main__][INFO] - Finished design in 2.57 minutes +[2024-04-15 16:48:29,376][__main__][INFO] - Making design testoutputs/binder_test_49 +[2024-04-15 16:48:29,391][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A11-151/0 100-100'] +[2024-04-15 16:48:29,438][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:48:32,680][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2024-04-15 16:48:32,686][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:48:35,649][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:48:35,655][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:48:38,635][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:48:38,640][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:48:41,583][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:48:41,588][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:48:44,526][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:48:44,531][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:48:47,493][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:48:47,497][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:48:50,356][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:48:50,360][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:48:53,323][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:48:53,329][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:48:56,293][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:48:56,300][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:48:59,263][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:48:59,268][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:49:02,283][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:49:02,287][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:49:05,225][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:49:05,229][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:49:08,199][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:49:08,204][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:49:11,158][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:49:11,162][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:49:14,086][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:49:14,091][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:49:16,992][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:49:16,997][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:49:19,927][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:49:19,932][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:49:22,882][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:49:22,888][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:49:25,870][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:49:25,874][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:49:28,859][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:49:28,865][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:49:31,811][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:49:31,818][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:49:34,793][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:49:34,799][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:49:37,726][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:49:37,730][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:49:40,586][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:49:40,591][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:49:43,525][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:49:43,530][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:49:46,489][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:49:46,493][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:49:49,459][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:49:49,464][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:49:52,428][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:49:52,434][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:49:55,390][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:49:55,395][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:49:58,332][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:49:58,338][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:50:01,329][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:50:01,333][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:50:04,220][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:50:04,225][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:50:07,136][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:50:07,142][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:50:10,072][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:50:10,076][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:50:13,019][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:50:13,025][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:50:15,997][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:50:16,003][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:50:18,970][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:50:18,974][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:50:21,909][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:50:21,914][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:50:25,009][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:50:25,015][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:50:28,197][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:50:28,202][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:50:31,379][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:50:31,382][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:50:34,255][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:50:34,259][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:50:37,224][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:50:37,229][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:50:40,201][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:50:40,207][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:50:43,146][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:50:43,151][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:50:46,112][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:50:46,117][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:50:49,078][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:50:49,084][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:50:52,026][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:50:52,031][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:50:54,950][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:50:54,954][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:51:03,968][__main__][INFO] - Finished design in 2.58 minutes +[2024-04-15 16:51:03,969][__main__][INFO] - Making design testoutputs/binder_test_50 +[2024-04-15 16:51:03,984][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A11-151/0 100-100'] +[2024-04-15 16:51:04,032][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:51:07,190][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2024-04-15 16:51:07,194][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:51:10,121][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:51:10,127][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:51:13,081][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:51:13,085][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:51:16,060][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:51:16,067][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:51:18,985][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:51:18,990][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:51:21,929][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:51:21,934][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:51:24,839][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:51:24,845][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:51:27,751][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:51:27,757][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:51:30,727][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:51:30,732][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:51:33,693][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:51:33,697][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:51:36,653][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:51:36,658][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:51:39,593][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:51:39,596][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:51:42,553][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:51:42,558][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:51:45,495][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:51:45,500][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:51:48,451][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:51:48,456][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:51:51,342][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:51:51,346][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:51:54,305][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:51:54,310][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:51:57,254][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:51:57,258][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:52:00,210][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:52:00,215][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:52:03,170][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:52:03,175][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:52:06,122][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:52:06,126][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:52:09,067][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:52:09,072][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:52:12,050][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:52:12,055][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:52:14,952][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:52:14,957][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:52:17,900][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:52:17,904][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:52:20,831][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:52:20,836][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:52:23,783][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:52:23,787][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:52:26,727][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:52:26,731][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:52:29,676][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:52:29,680][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:52:32,657][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:52:32,662][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:52:35,606][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:52:35,610][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:52:38,512][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:52:38,517][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:52:41,457][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:52:41,462][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:52:44,402][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:52:44,407][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:52:47,407][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:52:47,412][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:52:50,358][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:52:50,363][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:52:53,318][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:52:53,322][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:52:56,225][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:52:56,231][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:52:59,174][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:52:59,177][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:53:02,065][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:53:02,071][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:53:04,969][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:53:04,974][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:53:07,919][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:53:07,922][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:53:10,840][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:53:10,845][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:53:13,780][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:53:13,784][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:53:16,747][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:53:16,753][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:53:19,717][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:53:19,722][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:53:22,665][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:53:22,670][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:53:25,575][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:53:25,580][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:53:28,476][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:53:28,481][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:53:37,612][__main__][INFO] - Finished design in 2.56 minutes +[2024-04-15 16:53:37,612][__main__][INFO] - Making design testoutputs/binder_test_51 +[2024-04-15 16:53:37,635][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A11-151/0 100-100'] +[2024-04-15 16:53:37,686][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:53:40,842][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.16 +[2024-04-15 16:53:40,847][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:53:43,773][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:53:43,778][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:53:46,761][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:53:46,767][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:53:49,704][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:53:49,709][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:53:52,651][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:53:52,658][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:53:55,584][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:53:55,589][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:53:58,528][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:53:58,533][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:54:01,489][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:54:01,494][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:54:04,443][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:54:04,448][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:54:07,405][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:54:07,410][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:54:10,343][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:54:10,347][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:54:13,283][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:54:13,289][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:54:16,231][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:54:16,237][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:54:19,165][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:54:19,170][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:54:22,109][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:54:22,114][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:54:25,051][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:54:25,056][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:54:28,007][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:54:28,011][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:54:30,967][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:54:30,972][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:54:33,917][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:54:33,922][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:54:36,874][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:54:36,878][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:54:39,819][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:54:39,825][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:54:42,759][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:54:42,763][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:54:45,657][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:54:45,663][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:54:48,598][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:54:48,604][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:54:51,573][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:54:51,579][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:54:54,522][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:54:54,526][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:54:57,449][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:54:57,454][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:55:00,410][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:55:00,416][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:55:03,368][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:55:03,372][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:55:06,302][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:55:06,306][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:55:09,192][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:55:09,197][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:55:12,180][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:55:12,185][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:55:15,123][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:55:15,128][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:55:18,091][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:55:18,096][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:55:21,023][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:55:21,028][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:55:23,960][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:55:23,964][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:55:26,931][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:55:26,937][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:55:29,861][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:55:29,866][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:55:32,749][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:55:32,767][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:55:35,681][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:55:35,686][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:55:38,627][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:55:38,633][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:55:41,566][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:55:41,571][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:55:44,477][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:55:44,481][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:55:47,398][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:55:47,403][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:55:50,374][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:55:50,379][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:55:53,312][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:55:53,317][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:55:56,237][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:55:56,244][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:55:59,150][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:55:59,155][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:56:02,088][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:56:02,092][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:56:11,291][__main__][INFO] - Finished design in 2.56 minutes +[2024-04-15 16:56:11,291][__main__][INFO] - Making design testoutputs/binder_test_52 +[2024-04-15 16:56:11,308][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A11-151/0 100-100'] +[2024-04-15 16:56:11,358][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:56:14,503][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2024-04-15 16:56:14,508][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:56:17,458][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:56:17,463][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:56:20,411][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:56:20,416][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:56:23,322][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:56:23,327][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:56:26,187][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:56:26,191][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:56:29,114][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:56:29,119][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:56:32,065][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:56:32,070][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:56:35,039][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:56:35,044][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:56:37,986][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:56:37,991][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:56:40,966][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:56:40,972][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:56:43,939][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:56:43,946][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:56:46,892][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:56:46,896][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:56:49,771][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:56:49,776][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:56:52,722][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:56:52,726][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:56:55,668][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:56:55,674][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:56:58,619][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:56:58,624][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:57:01,569][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:57:01,574][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:57:04,554][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:57:04,560][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:57:07,525][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:57:07,530][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:57:10,490][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:57:10,494][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:57:13,426][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:57:13,429][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:57:16,345][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:57:16,350][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:57:19,310][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:57:19,315][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:57:22,225][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:57:22,230][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:57:25,158][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:57:25,163][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:57:28,115][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:57:28,120][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:57:31,073][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:57:31,078][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:57:34,038][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:57:34,043][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:57:36,953][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:57:36,958][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:57:39,863][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:57:39,867][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:57:42,798][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 16:57:42,803][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:57:45,728][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:57:45,733][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:57:48,675][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:57:48,678][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:57:51,591][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:57:51,595][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:57:54,491][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:57:54,495][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:57:57,414][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:57:57,420][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:58:00,273][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:58:00,282][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:58:03,158][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:58:03,163][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:58:06,096][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:58:06,101][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:58:08,996][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:58:09,001][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:58:12,505][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:58:12,509][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:58:15,906][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:58:15,910][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:58:18,867][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:58:18,872][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:58:21,774][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:58:21,780][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:58:24,699][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:58:24,703][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:58:27,678][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:58:27,682][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:58:30,572][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:58:30,577][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:58:33,450][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:58:33,455][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:58:36,383][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:58:36,388][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:58:45,598][__main__][INFO] - Finished design in 2.57 minutes +[2024-04-15 16:58:45,598][__main__][INFO] - Making design testoutputs/binder_test_53 +[2024-04-15 16:58:45,614][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A11-151/0 100-100'] +[2024-04-15 16:58:45,655][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:58:48,796][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2024-04-15 16:58:48,802][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:58:51,732][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:58:51,737][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:58:54,690][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:58:54,694][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:58:57,642][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:58:57,646][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:59:00,530][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:59:00,535][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:59:03,475][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:59:03,478][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:59:06,441][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:59:06,446][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:59:09,376][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:59:09,380][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:59:12,322][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:59:12,326][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:59:15,275][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:59:15,280][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:59:18,223][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:59:18,228][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:59:21,217][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:59:21,221][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:59:24,107][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:59:24,113][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:59:27,054][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:59:27,060][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:59:30,010][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:59:30,016][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:59:33,018][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:59:33,023][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:59:35,965][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:59:35,971][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:59:38,899][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:59:38,905][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:59:41,816][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:59:41,820][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:59:44,811][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:59:44,816][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:59:47,683][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:59:47,688][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:59:50,621][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:59:50,626][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:59:53,556][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:59:53,560][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:59:56,531][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:59:56,535][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 16:59:59,455][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 16:59:59,459][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:00:02,383][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:00:02,388][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:00:05,349][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:00:05,354][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:00:08,311][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:00:08,315][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:00:11,230][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:00:11,235][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:00:14,149][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:00:14,153][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:00:17,059][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:00:17,063][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:00:20,000][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:00:20,005][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:00:22,928][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:00:22,933][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:00:25,884][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:00:25,887][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:00:28,845][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:00:28,851][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:00:31,879][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:00:31,884][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:00:34,795][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:00:34,798][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:00:37,700][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:00:37,706][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:00:40,629][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:00:40,634][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:00:43,572][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:00:43,578][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:00:46,523][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:00:46,527][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:00:49,463][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:00:49,468][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:00:52,437][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:00:52,441][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:00:55,377][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:00:55,382][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:00:58,326][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:00:58,329][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:01:01,190][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:01:01,195][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:01:04,180][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:01:04,185][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:01:07,133][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:01:07,139][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:01:10,067][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:01:10,071][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:01:19,457][__main__][INFO] - Finished design in 2.56 minutes +[2024-04-15 17:01:19,457][__main__][INFO] - Making design testoutputs/binder_test_54 +[2024-04-15 17:01:19,481][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A11-151/0 100-100'] +[2024-04-15 17:01:19,535][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:01:22,650][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2024-04-15 17:01:22,655][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:01:25,600][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:01:25,606][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:01:28,514][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:01:28,518][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:01:31,413][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:01:31,419][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:01:34,412][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:01:34,417][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:01:37,375][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:01:37,380][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:01:40,335][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:01:40,339][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:01:43,292][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:01:43,296][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:01:46,217][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:01:46,226][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:01:49,204][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:01:49,209][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:01:52,162][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:01:52,165][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:01:55,068][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:01:55,075][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:01:58,036][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:01:58,041][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:02:01,014][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:02:01,020][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:02:03,951][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:02:03,956][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:02:06,904][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:02:06,909][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:02:09,874][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:02:09,879][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:02:12,829][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:02:12,834][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:02:15,804][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:02:15,809][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:02:18,751][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:02:18,759][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:02:21,672][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:02:21,676][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:02:24,617][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:02:24,622][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:02:27,616][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:02:27,622][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:02:30,585][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:02:30,589][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:02:33,556][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:02:33,561][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:02:36,513][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:02:36,518][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:02:39,448][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:02:39,452][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:02:42,372][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:02:42,378][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:02:45,279][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:02:45,283][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:02:48,231][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:02:48,237][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:02:51,214][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:02:51,219][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:02:54,158][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:02:54,163][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:02:57,133][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:02:57,138][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:03:00,113][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:03:00,118][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:03:03,081][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:03:03,087][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:03:06,046][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:03:06,049][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:03:08,919][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:03:08,925][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:03:11,880][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:03:11,885][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:03:14,809][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:03:14,814][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:03:17,762][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:03:17,768][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:03:20,713][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:03:20,718][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:03:23,660][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:03:23,664][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:03:26,581][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:03:26,586][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:03:29,516][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:03:29,522][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:03:32,406][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:03:32,412][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:03:35,344][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:03:35,349][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:03:38,267][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:03:38,271][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:03:41,206][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:03:41,211][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:03:44,144][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:03:44,152][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:03:53,353][__main__][INFO] - Finished design in 2.56 minutes +[2024-04-15 17:03:53,353][__main__][INFO] - Making design testoutputs/binder_test_55 +[2024-04-15 17:03:53,370][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A11-151/0 100-100'] +[2024-04-15 17:03:53,421][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:03:56,675][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2024-04-15 17:03:56,680][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:03:59,658][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:03:59,664][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:04:02,545][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:04:02,551][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:04:05,489][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:04:05,495][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:04:08,430][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:04:08,433][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:04:11,337][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:04:11,342][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:04:14,271][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:04:14,277][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:04:17,226][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:04:17,232][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:04:20,211][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:04:20,216][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:04:23,186][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:04:23,190][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:04:26,057][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:04:26,062][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:04:29,017][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:04:29,022][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:04:31,982][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:04:31,987][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:04:34,975][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:04:34,983][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:04:37,936][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:04:37,941][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:04:40,880][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:04:40,885][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:04:43,850][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:04:43,856][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:04:46,863][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:04:46,868][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:04:49,819][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:04:49,824][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:04:52,736][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:04:52,742][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:04:55,710][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:04:55,713][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:04:58,646][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:04:58,651][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:05:01,591][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:05:01,596][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:05:04,554][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:05:04,561][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:05:07,528][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:05:07,533][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:05:10,491][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:05:10,496][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:05:13,408][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:05:13,413][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:05:16,318][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:05:16,323][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:05:19,283][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:05:19,286][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:05:22,240][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:05:22,245][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:05:25,202][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:05:25,208][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:05:28,157][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:05:28,162][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:05:31,123][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:05:31,128][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:05:34,072][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:05:34,077][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:05:37,022][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:05:37,027][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:05:39,900][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:05:39,905][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:05:42,895][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:05:42,900][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:05:45,845][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:05:45,850][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:05:48,781][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:05:48,786][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:05:51,735][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:05:51,740][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:05:54,699][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:05:54,703][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:05:57,646][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:05:57,650][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:06:00,619][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:06:00,624][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:06:03,519][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:06:03,526][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:06:06,441][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:06:06,446][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:06:09,391][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:06:09,394][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:06:12,331][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:06:12,336][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:06:15,285][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:06:15,290][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:06:18,255][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:06:18,260][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:06:27,506][__main__][INFO] - Finished design in 2.57 minutes +[2024-04-15 17:06:27,507][__main__][INFO] - Making design testoutputs/binder_test_56 +[2024-04-15 17:06:27,522][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A11-151/0 100-100'] +[2024-04-15 17:06:27,564][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:06:30,766][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2024-04-15 17:06:30,771][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:06:33,721][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:06:33,727][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:06:36,645][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:06:36,650][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:06:39,593][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:06:39,598][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:06:42,583][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:06:42,589][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:06:45,554][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:06:45,559][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:06:48,491][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:06:48,496][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:06:51,445][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:06:51,451][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:06:54,435][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:06:54,440][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:06:57,339][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:06:57,343][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:07:00,249][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:07:00,254][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:07:03,242][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:07:03,245][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:07:06,216][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:07:06,221][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:07:09,162][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:07:09,166][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:07:12,120][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:07:12,125][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:07:15,109][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:07:15,113][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:07:18,069][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:07:18,074][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:07:21,059][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:07:21,065][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:07:23,995][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:07:24,001][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:07:26,907][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:07:26,912][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:07:29,882][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:07:29,887][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:07:32,844][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:07:32,848][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:07:35,794][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:07:35,799][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:07:38,765][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:07:38,769][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:07:41,696][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:07:41,702][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:07:44,659][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:07:44,662][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:07:47,598][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:07:47,605][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:07:50,494][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:07:50,499][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:07:53,462][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:07:53,467][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:07:56,412][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:07:56,416][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:07:59,358][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:07:59,363][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:08:02,282][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:08:02,286][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:08:05,226][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:08:05,232][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:08:08,196][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:08:08,202][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:08:11,182][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:08:11,186][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:08:14,079][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:08:14,084][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:08:17,041][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:08:17,047][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:08:19,988][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:08:19,994][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:08:22,941][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:08:22,946][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:08:25,890][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:08:25,895][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:08:28,842][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:08:28,847][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:08:31,772][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:08:31,777][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:08:34,710][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:08:34,714][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:08:37,574][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:08:37,579][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:08:40,520][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:08:40,525][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:08:43,455][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:08:43,459][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:08:46,367][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:08:46,372][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:08:49,298][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:08:49,303][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:08:52,222][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:08:52,227][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:09:01,503][__main__][INFO] - Finished design in 2.57 minutes +[2024-04-15 17:09:01,504][__main__][INFO] - Making design testoutputs/binder_test_57 +[2024-04-15 17:09:01,519][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A11-151/0 100-100'] +[2024-04-15 17:09:01,570][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:09:04,800][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2024-04-15 17:09:04,805][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:09:07,688][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:09:07,694][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:09:10,666][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:09:10,671][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:09:13,612][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:09:13,616][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:09:16,563][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:09:16,567][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:09:19,513][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:09:19,518][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:09:22,523][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:09:22,528][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:09:25,469][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:09:25,474][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:09:28,405][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:09:28,409][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:09:31,307][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:09:31,313][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:09:34,263][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:09:34,268][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:09:37,218][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:09:37,223][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:09:40,163][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:09:40,168][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:09:43,103][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:09:43,108][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:09:46,098][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:09:46,103][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:09:49,076][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:09:49,081][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:09:52,026][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:09:52,031][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:09:54,952][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:09:54,957][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:09:57,848][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:09:57,853][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:10:00,818][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:10:00,822][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:10:03,745][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:10:03,750][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:10:06,691][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:10:06,697][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:10:09,667][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:10:09,672][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:10:12,645][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:10:12,650][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:10:15,592][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:10:15,597][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:10:18,538][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:10:18,542][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:10:21,460][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:10:21,465][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:10:24,414][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:10:24,420][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:10:27,349][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:10:27,355][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:10:30,298][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:10:30,303][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:10:33,261][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:10:33,266][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:10:36,210][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:10:36,216][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:10:39,166][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:10:39,170][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:10:42,125][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:10:42,129][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:10:45,019][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:10:45,023][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:10:47,982][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:10:47,986][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:10:50,936][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:10:50,941][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:10:53,893][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:10:53,899][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:10:56,826][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:10:56,832][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:10:59,770][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:10:59,776][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:11:02,749][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:11:02,753][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:11:05,717][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:11:05,723][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:11:08,624][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:11:08,629][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:11:11,536][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:11:11,542][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:11:14,511][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:11:14,516][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:11:17,461][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:11:17,466][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:11:20,419][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:11:20,422][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:11:23,386][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:11:23,392][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:11:26,367][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:11:26,370][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:11:35,655][__main__][INFO] - Finished design in 2.57 minutes +[2024-04-15 17:11:35,655][__main__][INFO] - Making design testoutputs/binder_test_58 +[2024-04-15 17:11:35,677][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A11-151/0 100-100'] +[2024-04-15 17:11:35,726][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:11:38,893][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.16 +[2024-04-15 17:11:38,898][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:11:41,803][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:11:41,808][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:11:44,730][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:11:44,735][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:11:47,699][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:11:47,704][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:11:50,651][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:11:50,656][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:11:53,609][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:11:53,613][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:11:56,572][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:11:56,578][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:11:59,535][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:11:59,539][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:12:02,450][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:12:02,456][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:12:05,364][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:12:05,369][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:12:08,328][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:12:08,332][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:12:11,251][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:12:11,256][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:12:14,240][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:12:14,244][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:12:17,215][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:12:17,221][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:12:20,178][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:12:20,182][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:12:23,134][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:12:23,140][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:12:26,093][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:12:26,097][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:12:28,996][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:12:29,001][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:12:31,918][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:12:31,922][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:12:34,859][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:12:34,864][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:12:37,795][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:12:37,801][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:12:40,759][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:12:40,764][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:12:43,700][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:12:43,706][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:12:46,692][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:12:46,696][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:12:49,671][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:12:49,676][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:12:52,576][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:12:52,579][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:12:55,515][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:12:55,520][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:12:58,473][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:12:58,478][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:13:01,472][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:13:01,476][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:13:04,427][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:13:04,432][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:13:07,384][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:13:07,389][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:13:10,309][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:13:10,313][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:13:13,224][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:13:13,228][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:13:16,133][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:13:16,139][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:13:19,049][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:13:19,054][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:13:22,026][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:13:22,031][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:13:24,983][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:13:24,987][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:13:27,937][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:13:27,943][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:13:30,874][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:13:30,878][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:13:33,810][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:13:33,814][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:13:36,759][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:13:36,763][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:13:39,710][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:13:39,717][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:13:42,621][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:13:42,626][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:13:45,546][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:13:45,551][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:13:48,483][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:13:48,488][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:13:51,436][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:13:51,441][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:13:54,360][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:13:54,365][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:13:57,326][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:13:57,332][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:14:00,266][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:14:00,270][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:14:09,510][__main__][INFO] - Finished design in 2.56 minutes +[2024-04-15 17:14:09,510][__main__][INFO] - Making design testoutputs/binder_test_59 +[2024-04-15 17:14:09,532][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A11-151/0 100-100'] +[2024-04-15 17:14:09,583][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:14:12,730][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2024-04-15 17:14:12,736][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:14:15,661][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:14:15,666][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:14:18,622][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:14:18,627][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:14:21,587][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:14:21,592][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:14:24,579][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:14:24,586][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:14:27,531][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:14:27,535][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:14:30,512][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:14:30,517][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:14:33,446][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:14:33,450][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:14:36,345][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:14:36,350][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:14:39,328][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:14:39,334][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:14:42,285][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:14:42,290][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:14:45,290][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:14:45,296][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:14:48,305][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:14:48,310][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:14:51,212][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:14:51,217][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:14:54,191][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:14:54,196][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:14:57,182][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:14:57,187][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:15:00,125][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:15:00,129][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:15:03,050][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:15:03,055][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:15:06,033][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:15:06,038][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:15:08,980][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:15:08,985][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:15:11,944][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:15:11,949][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:15:14,892][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:15:14,896][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:15:17,845][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:15:17,849][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:15:20,810][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:15:20,815][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:15:23,767][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:15:23,771][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:15:26,652][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:15:26,656][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:15:29,588][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:15:29,594][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:15:32,543][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:15:32,548][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:15:35,447][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:15:35,453][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:15:38,426][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:15:38,431][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:15:41,411][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:15:41,418][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:15:44,355][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:15:44,360][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:15:47,314][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:15:47,319][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:15:50,192][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:15:50,199][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:15:53,179][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:15:53,183][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:15:56,139][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:15:56,144][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:15:59,081][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:15:59,086][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:16:02,063][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:16:02,068][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:16:05,006][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:16:05,009][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:16:07,942][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:16:07,948][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:16:10,862][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:16:10,867][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:16:13,739][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:16:13,744][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:16:16,703][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:16:16,708][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:16:19,625][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:16:19,631][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:16:22,582][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:16:22,586][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:16:25,508][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:16:25,514][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:16:28,507][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:16:28,512][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:16:31,423][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:16:31,427][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:16:34,361][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:16:34,367][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:16:43,505][__main__][INFO] - Finished design in 2.57 minutes +[2024-04-15 17:16:43,506][__main__][INFO] - Making design testoutputs/binder_test_60 +[2024-04-15 17:16:43,520][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A11-151/0 100-100'] +[2024-04-15 17:16:43,570][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:16:46,807][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2024-04-15 17:16:46,811][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:16:49,755][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:16:49,760][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:16:52,707][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:16:52,712][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:16:55,706][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:16:55,712][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:16:58,680][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:16:58,687][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:17:01,649][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:17:01,652][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:17:04,605][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:17:04,608][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:17:07,463][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:17:07,468][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:17:10,438][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:17:10,442][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:17:13,396][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:17:13,402][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:17:16,359][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:17:16,364][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:17:19,353][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:17:19,358][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:17:22,295][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:17:22,301][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:17:25,227][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:17:25,233][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:17:28,205][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:17:28,209][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:17:31,062][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:17:31,067][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:17:34,025][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:17:34,030][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:17:36,987][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:17:36,992][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:17:39,943][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:17:39,947][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:17:42,877][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:17:42,882][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:17:45,853][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:17:45,857][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:17:48,840][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:17:48,846][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:17:51,800][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:17:51,805][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:17:54,769][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:17:54,774][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:17:57,703][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:17:57,708][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:18:00,677][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:18:00,681][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:18:03,636][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:18:03,640][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:18:06,582][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:18:06,586][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:18:09,535][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:18:09,539][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:18:12,518][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:18:12,523][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:18:15,469][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:18:15,474][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:18:18,397][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:18:18,403][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:18:21,298][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:18:21,302][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:18:24,280][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:18:24,284][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:18:27,245][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:18:27,249][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:18:30,219][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:18:30,235][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:18:33,207][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:18:33,212][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:18:36,153][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:18:36,158][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:18:39,108][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:18:39,113][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:18:42,084][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:18:42,088][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:18:44,970][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:18:44,975][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:18:47,881][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:18:47,885][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:18:50,835][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:18:50,840][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:18:53,788][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:18:53,796][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:18:56,746][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:18:56,752][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:18:59,693][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:18:59,699][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:19:02,654][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:19:02,659][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:19:05,615][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:19:05,621][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:19:08,542][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:19:08,546][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:19:17,578][__main__][INFO] - Finished design in 2.57 minutes +[2024-04-15 17:19:17,579][__main__][INFO] - Making design testoutputs/binder_test_61 +[2024-04-15 17:19:17,594][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A11-151/0 100-100'] +[2024-04-15 17:19:17,644][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:19:20,862][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2024-04-15 17:19:20,867][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:19:23,814][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:19:23,818][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:19:26,767][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:19:26,772][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:19:29,776][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:19:29,781][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:19:32,721][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:19:32,726][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:19:35,683][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:19:35,688][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:19:38,589][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:19:38,595][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:19:41,509][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:19:41,514][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:19:44,473][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:19:44,478][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:19:47,462][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:19:47,468][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:19:50,413][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:19:50,418][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:19:53,386][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:19:53,392][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:19:56,357][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:19:56,363][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:19:59,320][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:19:59,324][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:20:02,240][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:20:02,246][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:20:05,153][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:20:05,157][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:20:08,110][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:20:08,114][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:20:11,050][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:20:11,055][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:20:14,017][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:20:14,021][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:20:17,005][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:20:17,008][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:20:19,976][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:20:19,980][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:20:22,913][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:20:22,917][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:20:25,864][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:20:25,870][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:20:28,779][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:20:28,786][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:20:31,764][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:20:31,769][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:20:34,706][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:20:34,710][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:20:37,686][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:20:37,691][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:20:40,666][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:20:40,673][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:20:43,600][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:20:43,604][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:20:46,575][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:20:46,579][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:20:49,519][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:20:49,523][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:20:52,454][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:20:52,458][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:20:55,380][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:20:55,384][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:20:58,341][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:20:58,346][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:21:01,326][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:21:01,331][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:21:04,255][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:21:04,260][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:21:07,230][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:21:07,234][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:21:10,166][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:21:10,170][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:21:13,125][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:21:13,130][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:21:16,021][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:21:16,027][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:21:18,955][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:21:18,959][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:21:21,899][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:21:21,904][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:21:24,842][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:21:24,847][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:21:27,830][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:21:27,836][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:21:30,767][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:21:30,774][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:21:33,734][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:21:33,740][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:21:36,686][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:21:36,691][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:21:39,622][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:21:39,628][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:21:42,505][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:21:42,511][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:21:51,707][__main__][INFO] - Finished design in 2.57 minutes +[2024-04-15 17:21:51,708][__main__][INFO] - Making design testoutputs/binder_test_62 +[2024-04-15 17:21:51,725][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A11-151/0 100-100'] +[2024-04-15 17:21:51,775][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:21:54,955][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.16 +[2024-04-15 17:21:54,959][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:21:57,898][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:21:57,903][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:22:00,866][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:22:00,871][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:22:03,817][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:22:03,823][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:22:06,784][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:22:06,788][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:22:09,731][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:22:09,737][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:22:12,624][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:22:12,630][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:22:15,576][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:22:15,581][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:22:18,539][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:22:18,543][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:22:21,507][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:22:21,512][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:22:24,459][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:22:24,464][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:22:27,430][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:22:27,436][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:22:30,401][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:22:30,406][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:22:33,368][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:22:33,372][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:22:36,234][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:22:36,239][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:22:39,210][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:22:39,215][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:22:42,143][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:22:42,148][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:22:45,082][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:22:45,088][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:22:48,066][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:22:48,070][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:22:51,031][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:22:51,035][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:22:53,989][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:22:53,994][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:22:56,935][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:22:56,940][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:22:59,892][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:22:59,896][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:23:02,820][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:23:02,824][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:23:05,768][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:23:05,775][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:23:08,727][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:23:08,732][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:23:11,676][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:23:11,681][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:23:14,644][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:23:14,649][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:23:17,623][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:23:17,628][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:23:20,605][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:23:20,611][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:23:23,549][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:23:23,552][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:23:26,431][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:23:26,436][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:23:29,414][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:23:29,418][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:23:32,411][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:23:32,417][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:23:35,357][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:23:35,363][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:23:38,328][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:23:38,334][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:23:41,329][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:23:41,332][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:23:44,283][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:23:44,288][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:23:47,241][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:23:47,245][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:23:50,154][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:23:50,159][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:23:53,066][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:23:53,071][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:23:55,982][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:23:55,986][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:23:58,902][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:23:58,907][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:24:01,849][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:24:01,854][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:24:04,797][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:24:04,802][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:24:07,744][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:24:07,748][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:24:10,676][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:24:10,682][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:24:13,570][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:24:13,578][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:24:16,491][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:24:16,497][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:24:26,121][__main__][INFO] - Finished design in 2.57 minutes +[2024-04-15 17:24:26,122][__main__][INFO] - Making design testoutputs/binder_test_63 +[2024-04-15 17:24:26,137][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A11-151/0 100-100'] +[2024-04-15 17:24:26,191][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:24:29,451][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2024-04-15 17:24:29,456][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:24:32,417][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2024-04-15 17:24:32,422][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:24:35,383][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:24:35,387][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:24:38,370][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:24:38,375][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:24:41,354][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:24:41,358][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:24:44,301][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:24:44,307][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:24:47,265][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:24:47,270][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:24:50,190][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:24:50,196][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:24:53,144][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:24:53,153][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:24:56,104][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:24:56,110][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:24:59,059][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:24:59,064][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:25:02,018][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:25:02,023][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:25:05,003][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:25:05,009][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:25:07,951][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:25:07,957][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:25:10,938][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:25:10,942][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:25:13,825][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:25:13,830][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:25:16,793][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:25:16,798][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:25:19,751][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:25:19,756][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:25:22,702][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:25:22,707][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:25:25,634][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:25:25,640][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:25:28,626][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:25:28,631][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:25:31,593][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:25:31,598][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:25:34,562][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:25:34,567][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:25:37,502][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:25:37,506][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:25:40,410][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:25:40,416][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:25:43,377][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:25:43,382][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:25:46,348][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:25:46,353][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:25:49,300][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:25:49,307][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:25:52,235][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:25:52,240][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:25:55,184][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:25:55,189][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:25:58,178][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:25:58,183][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:26:01,143][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:26:01,150][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:26:04,047][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:26:04,052][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:26:06,995][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:26:07,000][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:26:09,981][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:26:09,985][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:26:12,917][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:26:12,922][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:26:15,857][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:26:15,862][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:26:18,803][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:26:18,808][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:26:21,745][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:26:21,750][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:26:24,687][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:26:24,692][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:26:27,618][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:26:27,623][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:26:30,558][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:26:30,563][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:26:33,488][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:26:33,493][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:26:36,460][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:26:36,464][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:26:39,391][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:26:39,395][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:26:42,379][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:26:42,384][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:26:45,352][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:26:45,356][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:26:48,311][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:26:48,315][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:26:51,253][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:26:51,257][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:27:00,325][__main__][INFO] - Finished design in 2.57 minutes +[2024-04-15 17:27:00,326][__main__][INFO] - Making design testoutputs/binder_test_64 +[2024-04-15 17:27:00,342][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A11-151/0 100-100'] +[2024-04-15 17:27:00,395][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:27:03,690][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2024-04-15 17:27:03,694][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:27:06,674][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2024-04-15 17:27:06,680][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:27:09,657][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:27:09,662][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:27:12,632][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:27:12,637][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:27:15,579][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:27:15,585][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:27:18,561][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:27:18,567][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:27:21,527][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:27:21,531][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:27:24,433][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:27:24,438][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:27:27,383][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:27:27,388][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:27:30,340][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:27:30,346][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:27:33,310][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:27:33,314][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:27:36,265][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:27:36,271][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:27:39,235][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:27:39,240][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:27:42,199][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:27:42,204][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:27:45,148][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:27:45,151][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:27:48,051][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:27:48,055][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:27:51,014][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:27:51,019][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:27:53,983][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:27:53,987][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:27:56,955][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:27:56,959][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:27:59,936][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:27:59,941][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:28:02,913][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:28:02,919][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:28:05,855][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:28:05,860][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:28:08,820][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:28:08,825][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:28:11,741][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:28:11,747][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:28:14,668][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:28:14,672][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:28:17,619][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:28:17,624][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:28:20,602][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:28:20,609][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:28:23,611][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:28:23,616][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:28:26,571][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:28:26,576][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:28:29,571][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:28:29,579][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:28:32,556][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:28:32,562][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:28:35,555][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:28:35,560][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:28:38,503][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:28:38,511][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:28:41,437][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:28:41,442][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:28:44,389][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:28:44,394][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:28:47,334][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:28:47,339][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:28:50,310][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:28:50,314][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:28:53,283][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:28:53,287][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:28:56,248][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:28:56,253][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:28:59,216][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:28:59,222][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:29:02,209][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:29:02,214][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:29:05,132][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:29:05,137][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:29:08,056][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:29:08,060][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:29:10,975][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:29:10,981][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:29:13,911][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:29:13,917][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:29:16,869][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:29:16,875][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:29:19,827][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:29:19,832][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:29:22,792][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:29:22,797][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:29:25,743][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:29:25,746][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:29:34,961][__main__][INFO] - Finished design in 2.58 minutes +[2024-04-15 17:29:34,962][__main__][INFO] - Making design testoutputs/binder_test_65 +[2024-04-15 17:29:34,979][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A11-151/0 100-100'] +[2024-04-15 17:29:35,035][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:29:38,166][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2024-04-15 17:29:38,170][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:29:41,128][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:29:41,133][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:29:44,096][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:29:44,101][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:29:47,074][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:29:47,080][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:29:50,078][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:29:50,082][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:29:53,080][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:29:53,085][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:29:56,017][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:29:56,022][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:29:58,939][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:29:58,943][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:30:01,835][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:30:01,840][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:30:04,813][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:30:04,819][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:30:07,821][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:30:07,827][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:30:10,803][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:30:10,808][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:30:13,775][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:30:13,780][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:30:16,720][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:30:16,726][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:30:19,727][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:30:19,732][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:30:22,700][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:30:22,705][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:30:25,612][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:30:25,617][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:30:28,545][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:30:28,550][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:30:31,499][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:30:31,504][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:30:34,508][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:30:34,512][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:30:37,466][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:30:37,471][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:30:40,415][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:30:40,420][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:30:43,374][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:30:43,380][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:30:46,367][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:30:46,372][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:30:49,368][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:30:49,372][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:30:52,258][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:30:52,264][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:30:55,244][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:30:55,248][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:30:58,221][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:30:58,227][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:31:01,185][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:31:01,189][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:31:04,155][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:31:04,159][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:31:07,147][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:31:07,152][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:31:10,137][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:31:10,145][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:31:13,157][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:31:13,162][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:31:16,129][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:31:16,134][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:31:19,015][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:31:19,020][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:31:21,998][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:31:22,003][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:31:24,956][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:31:24,962][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:31:27,942][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:31:27,947][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:31:30,923][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:31:30,928][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:31:33,893][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:31:33,900][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:31:36,885][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:31:36,889][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:31:39,846][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:31:39,850][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:31:42,744][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:31:42,749][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:31:45,642][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:31:45,647][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:31:48,619][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:31:48,623][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:31:51,580][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:31:51,586][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:31:54,508][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:31:54,512][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:31:57,495][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:31:57,499][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:32:00,473][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:32:00,479][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:32:09,599][__main__][INFO] - Finished design in 2.58 minutes +[2024-04-15 17:32:09,599][__main__][INFO] - Making design testoutputs/binder_test_66 +[2024-04-15 17:32:09,628][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A11-151/0 100-100'] +[2024-04-15 17:32:09,681][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:32:12,815][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.16 +[2024-04-15 17:32:12,820][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:32:15,755][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:32:15,760][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:32:18,714][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:32:18,718][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:32:21,662][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:32:21,667][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:32:24,608][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:32:24,613][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:32:27,548][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:32:27,554][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:32:30,531][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:32:30,535][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:32:33,520][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:32:33,524][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:32:36,464][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:32:36,470][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:32:39,412][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:32:39,416][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:32:42,388][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:32:42,393][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:32:45,331][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:32:45,336][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:32:48,333][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:32:48,336][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:32:51,264][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:32:51,270][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:32:54,246][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:32:54,251][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:32:57,217][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:32:57,221][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:33:00,152][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:33:00,158][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:33:03,057][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:33:03,062][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:33:06,004][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:33:06,009][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:33:08,954][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:33:08,960][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:33:11,928][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:33:11,933][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:33:14,927][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:33:14,931][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:33:17,900][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:33:17,906][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:33:20,946][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:33:20,951][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:33:23,934][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:33:23,939][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:33:26,888][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:33:26,894][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:33:29,941][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:33:29,947][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:33:33,778][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:33:33,786][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:33:36,895][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:33:36,900][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:33:39,905][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:33:39,910][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:33:42,831][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:33:42,836][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:33:45,802][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:33:45,808][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:33:48,768][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:33:48,772][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:33:51,747][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:33:51,753][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:33:54,711][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:33:54,716][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:33:57,650][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:33:57,655][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:34:00,614][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:34:00,621][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:34:03,489][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:34:03,494][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:34:06,462][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:34:06,467][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:34:09,408][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:34:09,412][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:34:12,369][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:34:12,376][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:34:15,305][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:34:15,309][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:34:18,233][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:34:18,238][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:34:21,180][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:34:21,186][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:34:24,122][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:34:24,127][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:34:27,007][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:34:27,012][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:34:29,940][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:34:29,944][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:34:32,901][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:34:32,906][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:34:35,874][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:34:35,878][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:34:45,043][__main__][INFO] - Finished design in 2.59 minutes +[2024-04-15 17:34:45,044][__main__][INFO] - Making design testoutputs/binder_test_67 +[2024-04-15 17:34:45,059][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A11-151/0 100-100'] +[2024-04-15 17:34:45,118][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:34:48,351][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2024-04-15 17:34:48,355][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:34:51,327][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:34:51,333][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:34:54,245][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:34:54,249][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:34:57,122][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:34:57,127][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:35:00,066][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:35:00,070][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:35:03,014][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:35:03,018][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:35:05,935][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:35:05,940][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:35:08,885][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:35:08,888][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:35:11,839][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:35:11,845][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:35:14,800][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:35:14,804][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:35:17,728][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:35:17,737][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:35:20,631][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:35:20,636][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:35:23,625][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:35:23,630][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:35:26,580][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:35:26,585][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:35:29,555][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:35:29,560][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:35:32,549][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:35:32,554][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:35:35,576][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:35:35,579][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:35:38,549][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:35:38,554][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:35:41,531][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:35:41,534][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:35:44,453][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:35:44,459][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:35:47,369][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:35:47,372][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:35:50,338][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:35:50,344][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:35:53,317][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:35:53,323][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:35:56,258][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:35:56,263][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:35:59,206][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:35:59,210][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:36:02,162][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:36:02,167][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:36:05,119][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:36:05,124][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:36:08,043][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:36:08,048][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:36:10,936][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:36:10,941][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:36:13,900][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:36:13,906][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:36:16,866][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:36:16,870][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:36:19,805][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:36:19,811][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:36:22,760][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:36:22,766][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:36:25,730][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:36:25,733][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:36:28,660][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:36:28,666][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:36:31,620][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:36:31,624][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:36:34,500][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:36:34,520][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:36:37,444][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:36:37,451][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:36:40,428][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:36:40,433][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:36:43,391][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:36:43,397][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:36:46,347][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:36:46,351][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:36:49,313][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:36:49,318][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:36:52,257][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:36:52,262][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:36:55,201][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:36:55,206][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:36:58,125][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:36:58,132][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:37:01,037][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:37:01,042][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:37:03,984][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:37:03,989][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:37:06,912][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:37:06,916][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:37:09,850][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:37:09,856][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:37:18,955][__main__][INFO] - Finished design in 2.57 minutes +[2024-04-15 17:37:18,955][__main__][INFO] - Making design testoutputs/binder_test_68 +[2024-04-15 17:37:18,970][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A11-151/0 100-100'] +[2024-04-15 17:37:19,021][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:37:22,213][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2024-04-15 17:37:22,217][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:37:25,168][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:37:25,175][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:37:28,118][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:37:28,123][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:37:31,077][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:37:31,083][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:37:34,008][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:37:34,013][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:37:36,949][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:37:36,954][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:37:39,937][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:37:39,943][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:37:42,908][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:37:42,913][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:37:45,878][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:37:45,884][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:37:48,847][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:37:48,853][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:37:51,811][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:37:51,816][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:37:54,720][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:37:54,725][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:37:57,682][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:37:57,687][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:38:00,668][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:38:00,674][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:38:03,632][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:38:03,637][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:38:06,576][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:38:06,581][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:38:09,565][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:38:09,570][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:38:12,530][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:38:12,536][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:38:15,471][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:38:15,475][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:38:18,342][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:38:18,346][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:38:21,312][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:38:21,317][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:38:24,320][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:38:24,325][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:38:27,284][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:38:27,289][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:38:30,254][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:38:30,259][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:38:33,221][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:38:33,227][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:38:36,191][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:38:36,196][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:38:39,158][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:38:39,163][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:38:42,087][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:38:42,092][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:38:45,001][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:38:45,005][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:38:47,962][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:38:47,967][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:38:50,931][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:38:50,938][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:38:53,912][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:38:53,917][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:38:56,878][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:38:56,884][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:38:59,839][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:38:59,845][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:39:02,800][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:39:02,804][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:39:05,724][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:39:05,728][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:39:08,618][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:39:08,623][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:39:11,592][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:39:11,597][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:39:14,540][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:39:14,547][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:39:17,536][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:39:17,541][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:39:20,479][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:39:20,483][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:39:23,420][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:39:23,425][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:39:26,378][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:39:26,383][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:39:29,298][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:39:29,303][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:39:32,182][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:39:32,187][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:39:35,134][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:39:35,139][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:39:38,082][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:39:38,087][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:39:41,024][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:39:41,030][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:39:43,967][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:39:43,972][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:39:53,248][__main__][INFO] - Finished design in 2.57 minutes +[2024-04-15 17:39:53,248][__main__][INFO] - Making design testoutputs/binder_test_69 +[2024-04-15 17:39:53,266][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A11-151/0 100-100'] +[2024-04-15 17:39:53,312][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:39:56,961][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2024-04-15 17:39:56,966][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:39:59,935][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:39:59,940][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:40:02,913][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:40:02,919][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:40:05,798][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:40:05,803][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:40:08,734][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:40:08,739][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:40:11,674][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:40:11,680][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:40:14,628][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:40:14,633][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:40:17,581][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:40:17,584][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:40:20,590][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:40:20,595][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:40:23,569][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:40:23,575][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:40:26,523][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:40:26,528][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:40:29,400][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:40:29,404][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:40:32,333][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:40:32,338][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:40:35,294][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:40:35,299][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:40:38,276][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:40:38,282][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:40:41,244][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:40:41,248][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:40:44,201][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:40:44,205][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:40:47,150][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:40:47,159][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:40:50,149][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:40:50,153][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:40:53,061][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:40:53,066][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:40:56,007][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:40:56,013][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:40:58,962][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:40:58,966][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:41:01,950][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:41:01,956][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:41:04,936][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:41:04,940][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:41:07,892][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:41:07,897][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:41:10,895][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:41:10,899][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:41:13,879][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:41:13,883][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:41:16,822][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:41:16,826][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:41:19,699][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:41:19,704][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:41:22,654][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:41:22,659][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:41:25,621][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:41:25,625][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:41:28,573][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:41:28,578][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:41:31,508][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:41:31,513][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:41:34,487][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:41:34,491][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:41:37,458][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:41:37,463][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:41:40,398][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:41:40,402][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:41:43,256][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:41:43,262][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:41:46,195][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:41:46,199][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:41:49,116][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:41:49,120][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:41:52,067][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:41:52,071][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:41:55,006][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:41:55,010][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:41:57,977][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:41:57,983][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:42:00,953][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:42:00,959][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:42:03,891][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:42:03,895][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:42:06,747][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:42:06,753][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:42:09,703][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:42:09,708][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:42:12,672][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:42:12,675][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:42:16,393][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:42:16,399][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:42:19,725][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:42:19,729][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:42:29,082][__main__][INFO] - Finished design in 2.60 minutes +[2024-04-15 17:42:29,082][__main__][INFO] - Making design testoutputs/binder_test_70 +[2024-04-15 17:42:29,100][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A11-151/0 100-100'] +[2024-04-15 17:42:29,155][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:42:32,394][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.16 +[2024-04-15 17:42:32,401][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:42:35,361][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:42:35,366][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:42:38,356][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:42:38,362][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:42:41,268][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:42:41,273][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:42:44,246][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:42:44,251][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:42:47,121][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:42:47,127][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:42:50,095][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:42:50,099][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:42:53,056][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:42:53,061][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:42:56,014][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:42:56,018][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:42:58,993][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:42:58,999][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:43:01,974][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:43:01,979][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:43:04,931][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:43:04,937][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:43:07,921][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:43:07,926][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:43:10,884][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:43:10,889][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:43:13,816][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:43:13,821][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:43:16,799][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:43:16,804][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:43:19,813][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:43:19,818][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:43:22,763][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:43:22,767][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:43:25,727][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:43:25,732][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:43:28,708][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:43:28,716][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:43:31,692][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:43:31,696][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:43:34,620][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:43:34,625][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:43:37,532][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:43:37,536][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:43:40,472][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:43:40,478][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:43:43,423][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:43:43,428][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:43:46,369][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:43:46,376][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:43:49,353][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:43:49,359][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:43:52,351][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:43:52,356][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:43:55,319][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:43:55,323][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:43:58,279][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:43:58,284][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:44:01,237][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:44:01,242][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:44:04,158][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:44:04,163][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:44:07,092][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:44:07,097][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:44:10,080][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:44:10,085][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:44:13,027][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:44:13,032][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:44:15,991][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:44:15,995][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:44:18,945][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:44:18,948][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:44:21,926][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:44:21,930][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:44:24,895][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:44:24,901][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:44:27,797][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:44:27,801][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:44:30,730][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:44:30,735][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:44:33,655][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:44:33,660][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:44:36,631][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:44:36,634][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:44:39,555][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:44:39,560][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:44:42,524][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:44:42,529][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:44:45,485][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:44:45,491][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:44:48,456][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:44:48,460][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:44:51,366][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:44:51,370][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:44:54,308][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:44:54,313][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:45:03,473][__main__][INFO] - Finished design in 2.57 minutes +[2024-04-15 17:45:03,473][__main__][INFO] - Making design testoutputs/binder_test_71 +[2024-04-15 17:45:03,493][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A11-151/0 100-100'] +[2024-04-15 17:45:03,550][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:45:06,683][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2024-04-15 17:45:06,688][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:45:09,739][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2024-04-15 17:45:09,744][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:45:12,683][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:45:12,687][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:45:15,632][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:45:15,637][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:45:18,595][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:45:18,599][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:45:21,504][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:45:21,511][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:45:24,441][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:45:24,446][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:45:27,402][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:45:27,408][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:45:30,383][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:45:30,387][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:45:33,373][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:45:33,378][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:45:36,354][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:45:36,359][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:45:39,332][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:45:39,337][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:45:42,306][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:45:42,312][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:45:45,258][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:45:45,272][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:45:48,175][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:45:48,179][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:45:51,113][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:45:51,118][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:45:54,105][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:45:54,109][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:45:57,058][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:45:57,064][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:46:00,035][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:46:00,039][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:46:02,992][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:46:02,997][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:46:05,974][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:46:05,979][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:46:08,962][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:46:08,968][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:46:11,891][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:46:11,897][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:46:14,810][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:46:14,816][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:46:17,773][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:46:17,777][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:46:20,729][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:46:20,734][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:46:23,691][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:46:23,696][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:46:26,661][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:46:26,667][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:46:29,642][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:46:29,646][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:46:32,604][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:46:32,610][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:46:35,580][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:46:35,585][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:46:38,483][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:46:38,489][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:46:41,442][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:46:41,445][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:46:44,434][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:46:44,440][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:46:47,419][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:46:47,424][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:46:50,375][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:46:50,381][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:46:53,360][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:46:53,365][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:46:56,296][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:46:56,301][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:46:59,263][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:46:59,268][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:47:02,205][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:47:02,210][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:47:05,111][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:47:05,116][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:47:08,058][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:47:08,064][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:47:11,014][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:47:11,020][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:47:13,971][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:47:13,974][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:47:16,898][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:47:16,904][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:47:19,850][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:47:19,854][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:47:22,771][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:47:22,775][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:47:25,685][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:47:25,690][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:47:28,575][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:47:28,580][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:47:37,963][__main__][INFO] - Finished design in 2.57 minutes +[2024-04-15 17:47:37,964][__main__][INFO] - Making design testoutputs/binder_test_72 +[2024-04-15 17:47:37,978][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A11-151/0 100-100'] +[2024-04-15 17:47:38,032][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:47:41,200][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2024-04-15 17:47:41,205][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:47:44,184][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:47:44,188][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:47:47,139][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:47:47,143][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:47:50,098][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:47:50,103][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:47:53,055][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:47:53,060][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:47:56,007][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:47:56,013][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:47:58,904][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:47:58,910][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:48:01,877][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:48:01,882][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:48:04,840][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:48:04,845][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:48:07,802][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:48:07,806][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:48:10,762][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:48:10,765][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:48:13,737][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:48:13,741][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:48:16,700][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:48:16,705][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:48:19,648][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:48:19,653][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:48:22,564][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:48:22,569][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:48:25,491][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:48:25,495][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:48:28,452][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:48:28,459][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:48:31,462][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:48:31,467][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:48:34,407][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:48:34,412][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:48:37,355][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:48:37,360][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:48:40,331][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:48:40,335][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:48:43,290][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:48:43,295][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:48:46,233][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:48:46,238][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:48:49,174][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:48:49,179][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:48:52,152][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:48:52,156][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:48:55,113][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:48:55,118][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:48:58,080][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:48:58,085][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:49:01,066][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:49:01,071][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:49:04,029][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:49:04,036][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:49:06,976][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:49:06,980][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:49:09,936][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:49:09,941][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:49:12,853][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:49:12,858][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:49:15,810][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:49:15,816][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:49:18,748][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:49:18,753][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:49:21,696][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:49:21,700][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:49:24,652][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:49:24,658][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:49:27,617][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:49:27,622][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:49:30,550][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:49:30,555][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:49:33,491][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:49:33,493][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:49:36,407][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:49:36,411][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:49:39,295][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:49:39,299][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:49:42,261][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:49:42,267][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:49:45,211][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:49:45,216][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:49:48,146][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:49:48,150][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:49:51,119][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:49:51,124][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:49:54,110][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:49:54,115][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:49:57,079][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:49:57,083][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:49:59,976][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:49:59,981][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:50:02,868][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:50:02,873][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:50:12,017][__main__][INFO] - Finished design in 2.57 minutes +[2024-04-15 17:50:12,017][__main__][INFO] - Making design testoutputs/binder_test_73 +[2024-04-15 17:50:12,033][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A11-151/0 100-100'] +[2024-04-15 17:50:12,088][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:50:15,232][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.16 +[2024-04-15 17:50:15,238][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:50:18,205][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:50:18,210][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:50:21,161][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:50:21,167][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:50:24,126][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:50:24,130][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:50:27,095][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:50:27,099][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:50:30,021][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:50:30,026][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:50:32,943][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:50:32,947][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:50:35,906][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:50:35,912][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:50:38,885][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:50:38,889][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:50:41,882][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:50:41,888][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:50:44,849][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:50:44,853][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:50:47,789][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:50:47,795][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:50:50,768][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:50:50,772][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:50:53,694][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:50:53,699][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:50:56,606][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:50:56,612][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:50:59,572][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:50:59,580][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:51:02,580][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:51:02,586][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:51:05,545][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:51:05,551][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:51:08,490][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:51:08,494][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:51:11,446][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:51:11,451][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:51:14,386][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2024-04-15 17:51:14,391][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:51:17,314][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2024-04-15 17:51:17,321][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:51:20,295][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2024-04-15 17:51:20,299][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:51:23,213][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2024-04-15 17:51:23,218][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:51:26,213][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:51:26,218][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:51:29,153][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:51:29,158][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:51:32,129][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2024-04-15 17:51:32,135][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:51:35,074][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:51:35,079][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:51:38,019][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:51:38,023][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:51:41,000][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:51:41,005][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:51:43,952][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:51:43,955][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:51:46,874][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:51:46,878][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:51:49,813][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:51:49,818][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:51:52,764][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:51:52,769][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:51:55,704][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:51:55,707][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:51:58,657][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:51:58,662][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:52:01,612][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:52:01,617][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:52:04,596][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:52:04,602][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:52:07,558][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:52:07,562][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:52:10,446][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:52:10,453][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:52:13,417][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:52:13,421][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:52:16,365][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:52:16,370][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:52:19,310][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:52:19,315][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:52:22,242][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:52:22,247][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:52:25,223][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:52:25,228][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:52:28,180][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:52:28,185][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:52:31,148][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:52:31,152][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:52:33,992][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:52:33,997][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:52:36,946][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:52:36,950][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:52:46,203][__main__][INFO] - Finished design in 2.57 minutes +[2024-04-15 17:52:46,204][__main__][INFO] - Making design testoutputs/binder_test_74 +[2024-04-15 17:52:46,224][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A11-151/0 100-100'] +[2024-04-15 17:52:46,281][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:52:49,501][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2024-04-15 17:52:49,506][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:52:52,450][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:52:52,456][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:52:55,384][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:52:55,389][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:52:58,390][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:52:58,394][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:53:01,357][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:53:01,360][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:53:04,243][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 17:53:04,248][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:53:07,138][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:53:07,143][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:53:10,108][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:53:10,113][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:53:13,070][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:53:13,074][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:53:16,036][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:53:16,040][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:53:18,999][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:53:19,005][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:53:21,964][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:53:21,977][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:53:24,940][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:53:24,945][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:53:27,876][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:53:27,880][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:53:30,807][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:53:30,812][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:53:33,761][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:53:33,766][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:53:36,738][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:53:36,742][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:53:39,684][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:53:39,690][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:53:42,662][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2024-04-15 17:53:42,668][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:53:45,636][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2024-04-15 17:53:45,641][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:53:48,605][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:53:48,610][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:53:51,537][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2024-04-15 17:53:51,542][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:53:54,426][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2024-04-15 17:53:54,432][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:53:57,371][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2024-04-15 17:53:57,377][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:54:00,344][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:54:00,349][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:54:03,289][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:54:03,294][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:54:06,258][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:54:06,264][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:54:09,218][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:54:09,223][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:54:12,198][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:54:12,203][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:54:15,148][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:54:15,154][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:54:18,064][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:54:18,070][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:54:20,994][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:54:20,999][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:54:23,936][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:54:23,941][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:54:26,885][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:54:26,892][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:54:29,860][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:54:29,866][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:54:32,839][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:54:32,843][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:54:35,796][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:54:35,803][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:54:38,745][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:54:38,750][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:54:41,645][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:54:41,650][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:54:44,561][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:54:44,566][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:54:47,510][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:54:47,513][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:54:50,440][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:54:50,446][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:54:53,418][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:54:53,422][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:54:56,355][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:54:56,360][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:54:59,300][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:54:59,306][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:55:02,260][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:55:02,265][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:55:05,177][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:55:05,181][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:55:08,083][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:55:08,089][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:55:11,015][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:55:11,021][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:55:20,351][__main__][INFO] - Finished design in 2.57 minutes +[2024-04-15 17:55:20,352][__main__][INFO] - Making design testoutputs/binder_test_75 +[2024-04-15 17:55:20,366][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A11-151/0 100-100'] +[2024-04-15 17:55:20,417][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:55:23,679][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2024-04-15 17:55:23,685][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:55:26,644][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:55:26,649][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:55:29,598][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:55:29,603][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:55:32,522][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:55:32,527][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:55:35,456][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:55:35,461][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:55:38,336][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:55:38,341][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:55:41,283][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:55:41,287][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:55:44,272][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:55:44,276][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:55:47,235][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:55:47,241][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:55:50,265][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:55:50,270][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:55:53,231][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:55:53,236][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:55:56,177][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:55:56,182][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:55:59,146][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:55:59,150][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:56:02,043][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:56:02,055][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:56:04,966][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:56:04,973][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:56:07,921][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:56:07,925][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:56:10,895][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:56:10,901][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:56:13,880][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:56:13,886][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:56:16,890][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:56:16,895][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:56:19,871][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:56:19,874][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:56:22,822][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:56:22,827][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:56:25,758][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:56:25,764][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:56:28,689][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:56:28,694][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:56:31,645][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:56:31,650][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:56:34,610][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:56:34,615][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:56:37,566][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:56:37,571][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:56:40,530][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:56:40,535][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:56:43,497][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:56:43,501][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:56:46,465][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:56:46,469][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:56:49,407][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:56:49,411][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:56:52,301][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:56:52,307][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:56:55,226][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:56:55,229][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:56:58,158][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:56:58,163][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:57:01,124][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:57:01,129][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:57:04,097][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:57:04,102][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:57:07,045][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:57:07,049][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:57:09,984][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:57:09,988][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:57:12,910][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:57:12,915][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:57:15,800][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:57:15,806][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:57:18,709][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:57:18,714][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:57:21,634][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:57:21,639][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:57:24,612][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:57:24,617][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:57:27,550][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:57:27,555][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:57:30,512][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:57:30,516][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:57:33,459][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:57:33,463][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:57:36,439][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:57:36,444][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:57:39,409][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:57:39,413][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:57:42,302][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:57:42,307][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:57:45,301][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:57:45,306][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:57:54,421][__main__][INFO] - Finished design in 2.57 minutes +[2024-04-15 17:57:54,421][__main__][INFO] - Making design testoutputs/binder_test_76 +[2024-04-15 17:57:54,439][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A11-151/0 100-100'] +[2024-04-15 17:57:54,490][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:57:57,612][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2024-04-15 17:57:57,617][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:58:00,604][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:58:00,608][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:58:03,572][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:58:03,575][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:58:06,532][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:58:06,537][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:58:09,463][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:58:09,469][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:58:12,346][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:58:12,351][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:58:15,296][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:58:15,302][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:58:18,244][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:58:18,249][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:58:21,252][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:58:21,256][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:58:24,184][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:58:24,188][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:58:27,146][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:58:27,150][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:58:30,080][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:58:30,084][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:58:32,996][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:58:33,003][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:58:35,889][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:58:35,894][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:58:38,866][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:58:38,872][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:58:41,874][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:58:41,879][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:58:44,864][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:58:44,868][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:58:47,832][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:58:47,837][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:58:50,851][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:58:50,858][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:58:53,811][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:58:53,816][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:58:56,772][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:58:56,777][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:58:59,666][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:58:59,671][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:59:02,598][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:59:02,604][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:59:05,572][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:59:05,577][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:59:08,547][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:59:08,552][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:59:11,526][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:59:11,531][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:59:14,514][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:59:14,519][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:59:17,469][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:59:17,473][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:59:20,437][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:59:20,442][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:59:23,410][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:59:23,415][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:59:26,301][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:59:26,306][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:59:29,210][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:59:29,215][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:59:32,216][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:59:32,222][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:59:35,175][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:59:35,180][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:59:38,133][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:59:38,139][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:59:41,126][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:59:41,131][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:59:44,081][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:59:44,087][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:59:47,072][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:59:47,076][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:59:50,004][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:59:50,011][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:59:52,934][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:59:52,940][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:59:55,893][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:59:55,898][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 17:59:58,834][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 17:59:58,839][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:00:01,844][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:00:01,848][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:00:04,792][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:00:04,798][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:00:07,728][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:00:07,733][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:00:10,676][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:00:10,679][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:00:13,564][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 18:00:13,570][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:00:16,496][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 18:00:16,501][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:00:19,446][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 18:00:19,451][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:00:28,690][__main__][INFO] - Finished design in 2.57 minutes +[2024-04-15 18:00:28,690][__main__][INFO] - Making design testoutputs/binder_test_77 +[2024-04-15 18:00:28,705][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A11-151/0 100-100'] +[2024-04-15 18:00:28,752][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:00:31,894][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2024-04-15 18:00:31,899][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:00:34,841][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:00:34,847][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:00:37,776][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:00:37,781][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:00:40,739][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:00:40,743][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:00:43,631][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:00:43,636][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:00:46,579][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:00:46,583][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:00:49,533][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:00:49,537][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:00:52,532][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:00:52,537][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:00:55,495][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:00:55,500][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:00:58,444][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:00:58,447][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:01:01,403][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:01:01,408][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:01:04,371][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:01:04,376][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:01:07,345][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:01:07,349][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:01:10,241][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:01:10,247][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:01:13,189][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:01:13,194][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:01:16,178][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:01:16,182][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:01:19,137][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:01:19,142][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:01:22,081][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:01:22,086][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:01:25,006][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:01:25,010][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:01:27,970][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:01:27,976][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:01:30,955][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:01:30,961][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:01:33,834][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:01:33,839][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:01:36,805][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:01:36,811][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:01:39,782][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:01:39,787][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:01:42,734][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:01:42,739][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:01:45,693][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:01:45,697][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:01:48,646][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:01:48,651][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:01:51,589][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:01:51,593][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:01:54,576][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:01:54,580][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:01:57,507][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:01:57,514][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:02:00,451][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:02:00,456][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:02:03,418][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:02:03,421][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:02:06,368][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:02:06,373][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:02:09,348][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:02:09,354][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:02:12,342][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:02:12,346][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:02:15,278][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:02:15,283][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:02:18,239][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:02:18,243][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:02:21,162][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:02:21,167][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:02:24,059][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:02:24,063][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:02:26,988][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:02:26,992][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:02:29,951][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:02:29,956][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:02:32,895][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:02:32,900][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:02:35,864][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:02:35,869][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:02:38,836][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:02:38,841][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:02:41,801][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:02:41,807][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:02:44,746][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:02:44,751][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:02:47,662][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:02:47,667][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:02:50,570][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:02:50,575][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:02:53,520][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:02:53,526][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:03:02,942][__main__][INFO] - Finished design in 2.57 minutes +[2024-04-15 18:03:02,942][__main__][INFO] - Making design testoutputs/binder_test_78 +[2024-04-15 18:03:02,957][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A11-151/0 100-100'] +[2024-04-15 18:03:03,003][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:03:06,155][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2024-04-15 18:03:06,160][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:03:09,121][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:03:09,127][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:03:12,050][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:03:12,055][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:03:14,990][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 18:03:14,995][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:03:17,929][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:03:17,936][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:03:20,828][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:03:20,833][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:03:23,773][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 18:03:23,780][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:03:26,712][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 18:03:26,717][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:03:29,629][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 18:03:29,635][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:03:32,581][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:03:32,586][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:03:35,533][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 18:03:35,538][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:03:38,495][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 18:03:38,499][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:03:41,357][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 18:03:41,361][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:03:44,295][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 18:03:44,301][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:03:47,245][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 18:03:47,250][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:03:50,208][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 18:03:50,213][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:03:53,161][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:03:53,166][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:03:56,097][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:03:56,100][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:03:59,037][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:03:59,043][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:04:02,030][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:04:02,036][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:04:04,933][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:04:04,938][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:04:07,855][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:04:07,862][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:04:10,834][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:04:10,839][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:04:13,760][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:04:13,764][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:04:16,719][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:04:16,723][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:04:19,680][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:04:19,685][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:04:22,654][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:04:22,659][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:04:25,628][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:04:25,631][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:04:28,544][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:04:28,548][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:04:31,443][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:04:31,448][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:04:34,414][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:04:34,419][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:04:37,375][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 18:04:37,381][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:04:40,327][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 18:04:40,332][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:04:43,292][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 18:04:43,297][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:04:46,230][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 18:04:46,235][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:04:49,208][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 18:04:49,212][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:04:52,142][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 18:04:52,147][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:04:55,057][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 18:04:55,060][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:04:58,015][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 18:04:58,021][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:05:00,984][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 18:05:00,990][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:05:03,962][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 18:05:03,967][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:05:06,900][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 18:05:06,905][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:05:09,852][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 18:05:09,856][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:05:12,824][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 18:05:12,830][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:05:15,802][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:05:15,806][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:05:18,715][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:05:18,720][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:05:21,623][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:05:21,628][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:05:24,560][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:05:24,566][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:05:27,472][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:05:27,476][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:05:36,666][__main__][INFO] - Finished design in 2.56 minutes +[2024-04-15 18:05:36,666][__main__][INFO] - Making design testoutputs/binder_test_79 +[2024-04-15 18:05:36,684][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A11-151/0 100-100'] +[2024-04-15 18:05:36,750][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:05:40,009][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2024-04-15 18:05:40,013][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:05:42,952][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:05:42,958][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:05:45,898][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:05:45,902][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:05:48,781][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:05:48,795][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:05:51,777][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:05:51,782][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:05:54,731][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:05:54,736][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:05:57,684][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:05:57,692][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:06:00,655][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:06:00,660][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:06:03,627][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:06:03,632][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:06:06,587][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:06:06,594][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:06:09,533][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:06:09,538][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:06:12,447][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:06:12,453][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:06:15,344][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:06:15,350][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:06:18,291][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:06:18,296][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:06:21,274][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:06:21,280][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:06:24,269][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:06:24,275][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:06:27,259][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:06:27,264][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:06:30,238][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:06:30,244][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:06:33,188][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:06:33,192][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:06:36,192][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:06:36,198][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:06:39,083][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:06:39,089][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:06:42,033][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:06:42,039][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:06:45,016][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:06:45,021][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:06:47,978][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:06:47,983][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:06:50,942][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:06:50,947][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:06:53,910][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:06:53,915][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:06:56,881][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:06:56,885][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:06:59,837][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:06:59,843][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:07:02,777][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:07:02,782][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:07:05,695][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:07:05,700][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:07:08,662][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:07:08,667][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:07:11,617][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:07:11,622][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:07:14,581][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:07:14,586][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:07:17,552][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:07:17,557][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:07:20,522][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:07:20,527][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:07:23,481][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 18:07:23,487][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:07:26,455][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 18:07:26,460][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:07:29,343][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:07:29,348][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:07:32,301][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:07:32,306][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:07:35,269][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:07:35,274][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:07:38,215][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:07:38,221][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:07:41,189][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:07:41,194][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:07:44,177][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:07:44,182][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:07:47,135][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:07:47,139][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:07:50,080][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 18:07:50,084][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:07:53,017][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:07:53,021][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:07:55,923][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:07:55,930][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:07:58,881][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:07:58,887][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:08:01,861][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:08:01,866][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:08:11,100][__main__][INFO] - Finished design in 2.57 minutes +[2024-04-15 18:08:11,101][__main__][INFO] - Making design testoutputs/binder_test_80 +[2024-04-15 18:08:11,116][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A11-151/0 100-100'] +[2024-04-15 18:08:11,166][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:08:14,724][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.16 +[2024-04-15 18:08:14,729][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:08:17,665][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:08:17,669][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:08:20,618][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:08:20,623][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:08:23,552][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:08:23,557][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:08:26,433][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:08:26,438][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:08:29,382][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:08:29,386][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:08:32,360][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:08:32,363][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:08:35,321][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:08:35,326][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:08:38,306][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:08:38,311][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:08:41,267][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:08:41,272][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:08:44,214][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:08:44,220][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:08:47,135][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:08:47,139][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:08:50,025][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:08:50,038][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:08:52,979][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:08:52,984][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:08:55,948][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:08:55,953][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:08:58,894][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:08:58,898][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:09:01,857][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:09:01,862][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:09:04,808][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:09:04,813][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:09:07,782][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:09:07,786][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:09:10,742][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:09:10,746][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:09:13,636][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:09:13,642][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:09:16,551][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:09:16,557][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:09:19,513][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:09:19,517][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:09:22,486][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:09:22,493][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:09:25,451][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:09:25,456][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:09:28,433][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:09:28,438][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:09:31,416][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:09:31,422][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:09:34,352][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:09:34,356][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:09:37,296][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:09:37,303][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:09:40,228][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:09:40,233][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:09:43,162][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:09:43,167][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:09:46,109][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:09:46,114][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:09:49,090][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:09:49,095][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:09:52,053][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:09:52,060][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:09:55,005][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:09:55,012][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:09:57,963][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:09:57,968][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:10:00,924][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:10:00,927][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:10:03,776][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:10:03,780][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:10:06,728][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:10:06,734][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:10:09,656][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:10:09,661][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:10:12,640][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:10:12,644][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:10:15,593][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:10:15,599][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:10:18,564][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:10:18,570][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:10:21,515][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:10:21,519][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:10:24,441][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:10:24,445][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:10:27,324][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:10:27,329][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:10:30,303][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:10:30,308][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:10:33,265][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:10:33,270][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:10:36,243][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:10:36,257][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:10:45,763][__main__][INFO] - Finished design in 2.58 minutes +[2024-04-15 18:10:45,763][__main__][INFO] - Making design testoutputs/binder_test_81 +[2024-04-15 18:10:45,777][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A11-151/0 100-100'] +[2024-04-15 18:10:45,823][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:10:48,979][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2024-04-15 18:10:48,986][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:10:51,959][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:10:51,963][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:10:54,935][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:10:54,940][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:10:57,853][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:10:57,858][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:11:00,737][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 18:11:00,743][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:11:03,687][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:11:03,692][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:11:06,618][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:11:06,623][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:11:09,575][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:11:09,581][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:11:12,514][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:11:12,518][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:11:15,452][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:11:15,457][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:11:18,417][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:11:18,423][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:11:21,379][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:11:21,384][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:11:24,273][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:11:24,278][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:11:27,223][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:11:27,229][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:11:30,183][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:11:30,188][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:11:33,137][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:11:33,143][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:11:36,088][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:11:36,093][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:11:39,040][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:11:39,047][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:11:42,038][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:11:42,043][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:11:44,986][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:11:44,991][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:11:47,992][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:11:48,006][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:11:51,012][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:11:51,017][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:11:53,977][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:11:53,983][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:11:56,929][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:11:56,933][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:11:59,877][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:11:59,882][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:12:02,836][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:12:02,841][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:12:05,793][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:12:05,798][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:12:08,756][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:12:08,761][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:12:11,688][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:12:11,691][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:12:14,581][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:12:14,586][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:12:17,509][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:12:17,515][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:12:20,471][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:12:20,476][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:12:23,408][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:12:23,413][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:12:26,410][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:12:26,414][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:12:29,358][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:12:29,364][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:12:32,315][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:12:32,320][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:12:35,306][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:12:35,311][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:12:38,173][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:12:38,178][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:12:41,117][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:12:41,121][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:12:44,069][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:12:44,075][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:12:47,030][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:12:47,037][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:12:50,008][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:12:50,012][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:12:52,968][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:12:52,972][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:12:55,885][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:12:55,890][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:12:58,800][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:12:58,805][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:13:01,704][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:13:01,709][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:13:04,602][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:13:04,606][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:13:07,534][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:13:07,539][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:13:10,516][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 18:13:10,522][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:13:19,724][__main__][INFO] - Finished design in 2.57 minutes +[2024-04-15 18:13:19,724][__main__][INFO] - Making design testoutputs/binder_test_82 +[2024-04-15 18:13:19,740][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A11-151/0 100-100'] +[2024-04-15 18:13:19,790][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:13:23,048][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2024-04-15 18:13:23,052][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:13:26,000][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:13:26,005][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:13:28,942][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:13:28,948][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:13:31,845][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:13:31,850][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:13:34,796][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:13:34,799][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:13:37,734][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:13:37,740][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:13:40,690][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:13:40,696][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:13:43,642][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:13:43,647][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:13:46,610][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 18:13:46,615][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:13:49,583][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 18:13:49,589][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:13:52,534][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:13:52,540][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:13:55,426][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:13:55,430][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:13:58,379][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:13:58,384][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:14:01,401][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:14:01,407][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:14:04,347][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:14:04,352][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:14:07,330][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:14:07,335][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:14:10,298][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:14:10,303][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:14:13,266][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:14:13,270][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:14:16,256][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:14:16,261][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:14:19,201][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:14:19,206][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:14:22,093][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:14:22,099][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:14:25,043][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:14:25,050][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:14:28,018][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:14:28,023][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:14:30,999][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:14:31,004][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:14:33,937][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:14:33,943][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:14:36,912][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:14:36,917][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:14:39,853][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:14:39,858][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:14:42,828][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:14:42,832][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:14:45,696][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:14:45,701][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:14:48,640][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:14:48,646][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:14:51,588][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:14:51,593][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:14:54,552][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:14:54,557][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:14:57,519][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:14:57,525][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:15:00,457][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:15:00,462][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:15:03,423][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:15:03,428][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:15:06,394][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:15:06,399][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:15:09,273][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:15:09,280][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:15:12,237][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:15:12,242][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:15:15,210][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:15:15,215][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:15:18,149][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:15:18,155][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:15:21,132][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:15:21,138][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:15:24,125][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:15:24,129][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:15:27,050][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:15:27,054][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:15:30,001][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:15:30,005][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:15:32,961][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:15:32,966][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:15:35,862][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:15:35,868][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:15:38,827][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:15:38,831][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:15:41,787][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:15:41,791][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:15:44,710][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:15:44,715][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:15:54,092][__main__][INFO] - Finished design in 2.57 minutes +[2024-04-15 18:15:54,093][__main__][INFO] - Making design testoutputs/binder_test_83 +[2024-04-15 18:15:54,108][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A11-151/0 100-100'] +[2024-04-15 18:15:54,160][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:15:57,306][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2024-04-15 18:15:57,311][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:16:00,285][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:16:00,291][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:16:03,239][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:16:03,245][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:16:06,130][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:16:06,135][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:16:09,087][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:16:09,092][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:16:12,055][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 18:16:12,060][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:16:15,014][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:16:15,019][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:16:17,976][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:16:17,980][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:16:20,940][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:16:20,946][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:16:23,899][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:16:23,904][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:16:26,854][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:16:26,858][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:16:29,752][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:16:29,765][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:16:32,693][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:16:32,699][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:16:35,673][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:16:35,677][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:16:38,632][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:16:38,637][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:16:41,608][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:16:41,613][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:16:44,539][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:16:44,544][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:16:47,480][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:16:47,486][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:16:50,414][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:16:50,418][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:16:53,274][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:16:53,279][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:16:56,297][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:16:56,302][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:16:59,260][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:16:59,265][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:17:02,247][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:17:02,250][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:17:05,221][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:17:05,226][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:17:08,177][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:17:08,182][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:17:11,096][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:17:11,101][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:17:14,068][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:17:14,071][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:17:17,017][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:17:17,021][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:17:19,940][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:17:19,946][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:17:22,915][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:17:22,920][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:17:25,844][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:17:25,849][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:17:28,809][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:17:28,815][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:17:31,795][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:17:31,801][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:17:34,740][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:17:34,745][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:17:37,727][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:17:37,733][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:17:40,678][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:17:40,681][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:17:43,548][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:17:43,552][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:17:46,493][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:17:46,498][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:17:49,471][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:17:49,474][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:17:52,387][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:17:52,392][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:17:55,337][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:17:55,342][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:17:58,311][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:17:58,316][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:18:01,265][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:18:01,271][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:18:04,213][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:18:04,217][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:18:07,064][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:18:07,070][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:18:10,036][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:18:10,042][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:18:12,981][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:18:12,985][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:18:15,914][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:18:15,919][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:18:19,039][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:18:19,076][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:18:29,569][__main__][INFO] - Finished design in 2.59 minutes +[2024-04-15 18:18:29,570][__main__][INFO] - Making design testoutputs/binder_test_84 +[2024-04-15 18:18:29,588][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A11-151/0 100-100'] +[2024-04-15 18:18:29,634][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:18:32,875][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2024-04-15 18:18:32,881][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:18:35,822][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:18:35,826][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:18:38,771][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:18:38,776][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:18:41,705][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:18:41,708][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:18:44,658][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:18:44,663][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:18:47,623][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:18:47,628][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:18:50,539][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:18:50,544][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:18:53,470][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:18:53,474][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:18:56,447][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:18:56,451][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:18:59,408][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:18:59,414][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:19:02,357][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:19:02,363][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:19:05,314][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:19:05,318][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:19:08,284][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:19:08,288][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:19:11,218][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:19:11,223][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:19:14,116][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:19:14,121][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:19:17,069][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:19:17,074][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:19:20,024][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:19:20,029][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:19:22,979][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:19:22,983][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:19:25,916][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:19:25,921][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:19:28,871][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:19:28,875][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:19:31,881][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:19:31,887][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:19:34,854][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:19:34,859][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:19:37,763][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:19:37,769][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:19:40,699][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:19:40,704][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:19:43,661][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:19:43,668][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:19:46,652][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:19:46,657][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:19:49,612][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:19:49,617][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:19:52,531][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:19:52,536][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:19:55,481][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:19:55,486][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:19:58,471][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:19:58,476][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:20:01,402][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:20:01,406][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:20:04,297][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:20:04,301][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:20:07,236][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:20:07,241][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:20:10,207][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:20:10,213][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:20:13,166][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:20:13,171][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:20:16,126][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:20:16,131][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:20:19,076][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:20:19,081][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:20:22,036][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:20:22,041][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:20:24,944][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:20:24,949][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:20:27,848][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:20:27,853][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:20:30,793][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:20:30,799][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:20:33,760][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:20:33,765][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:20:36,741][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:20:36,746][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:20:39,699][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:20:39,704][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:20:42,630][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:20:42,634][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:20:45,581][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:20:45,587][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:20:48,553][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 18:20:48,558][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:20:51,407][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:20:51,412][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:20:54,357][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:20:54,362][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:21:03,657][__main__][INFO] - Finished design in 2.57 minutes +[2024-04-15 18:21:03,657][__main__][INFO] - Making design testoutputs/binder_test_85 +[2024-04-15 18:21:03,675][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A11-151/0 100-100'] +[2024-04-15 18:21:03,727][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:21:06,872][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2024-04-15 18:21:06,876][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:21:09,843][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2024-04-15 18:21:09,848][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:21:12,816][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:21:12,821][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:21:15,764][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:21:15,769][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:21:18,705][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:21:18,710][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:21:21,589][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:21:21,593][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:21:24,546][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:21:24,551][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:21:27,539][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 18:21:27,545][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:21:30,550][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:21:30,554][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:21:33,535][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:21:33,540][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:21:36,531][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:21:36,538][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:21:39,480][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:21:39,484][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:21:42,582][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:21:42,587][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:21:45,574][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:21:45,578][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:21:48,439][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:21:48,445][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:21:51,390][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:21:51,395][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:21:54,324][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:21:54,329][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:21:57,316][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:21:57,320][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:22:00,298][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:22:00,303][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:22:03,248][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:22:03,255][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:22:06,218][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:22:06,223][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:22:09,184][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:22:09,188][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:22:12,107][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:22:12,113][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:22:15,013][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:22:15,018][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:22:17,918][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:22:17,924][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:22:20,903][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:22:20,907][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:22:23,883][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:22:23,888][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:22:26,845][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:22:26,850][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:22:29,808][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:22:29,814][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:22:32,792][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:22:32,796][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:22:35,726][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 18:22:35,729][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:22:38,619][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 18:22:38,624][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:22:41,586][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 18:22:41,591][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:22:44,549][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 18:22:44,555][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:22:47,523][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 18:22:47,528][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:22:50,505][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 18:22:50,513][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:22:53,501][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 18:22:53,506][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:22:56,475][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 18:22:56,480][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:22:59,437][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 18:22:59,442][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:23:02,326][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 18:23:02,331][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:23:05,258][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 18:23:05,263][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:23:08,213][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 18:23:08,219][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:23:11,164][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 18:23:11,169][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:23:14,099][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 18:23:14,105][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:23:17,062][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 18:23:17,067][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:23:20,033][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 18:23:20,038][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:23:22,963][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 18:23:22,969][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:23:25,865][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 18:23:25,871][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:23:28,776][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 18:23:28,781][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:23:37,901][__main__][INFO] - Finished design in 2.57 minutes +[2024-04-15 18:23:37,902][__main__][INFO] - Making design testoutputs/binder_test_86 +[2024-04-15 18:23:37,924][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A11-151/0 100-100'] +[2024-04-15 18:23:37,979][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:23:41,111][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.16 +[2024-04-15 18:23:41,117][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:23:44,083][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2024-04-15 18:23:44,088][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:23:47,058][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:23:47,063][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:23:49,986][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:23:49,990][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:23:52,947][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:23:52,952][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:23:55,867][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:23:55,871][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:23:58,822][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:23:58,827][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:24:01,799][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:24:01,803][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:24:04,765][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:24:04,770][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:24:07,734][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:24:07,738][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:24:10,706][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:24:10,711][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:24:13,668][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:24:13,674][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:24:16,625][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:24:16,630][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:24:19,520][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:24:19,526][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:24:22,440][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:24:22,446][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:24:25,444][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:24:25,450][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:24:28,431][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:24:28,436][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:24:31,387][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:24:31,392][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:24:34,337][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:24:34,343][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:24:37,326][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:24:37,331][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:24:40,302][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:24:40,308][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:24:43,261][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:24:43,264][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:24:46,150][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:24:46,155][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:24:49,118][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:24:49,122][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:24:52,062][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:24:52,066][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:24:55,003][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:24:55,008][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:24:58,008][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:24:58,014][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:25:01,013][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:25:01,018][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:25:03,997][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:25:04,002][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:25:06,973][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:25:06,978][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:25:09,914][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:25:09,920][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:25:12,825][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:25:12,831][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:25:15,755][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:25:15,761][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:25:18,737][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:25:18,742][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:25:21,699][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:25:21,704][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:25:24,648][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:25:24,653][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:25:27,599][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:25:27,603][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:25:31,199][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:25:31,204][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:25:35,726][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:25:35,730][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:25:39,602][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:25:39,607][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:25:42,783][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:25:42,788][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:25:46,630][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:25:46,672][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:25:51,209][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:25:51,214][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:25:54,452][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 18:25:54,458][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:25:57,989][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 18:25:57,995][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:26:01,239][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 18:26:01,244][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:26:04,613][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 18:26:04,620][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:26:07,870][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 18:26:07,875][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:26:10,933][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 18:26:10,937][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:26:21,047][__main__][INFO] - Finished design in 2.72 minutes +[2024-04-15 18:26:21,047][__main__][INFO] - Making design testoutputs/binder_test_87 +[2024-04-15 18:26:21,077][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A11-151/0 100-100'] +[2024-04-15 18:26:21,141][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:26:24,571][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.16 +[2024-04-15 18:26:24,576][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:26:27,667][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:26:27,672][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:26:31,556][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:26:31,562][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:26:35,184][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:26:35,190][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:26:38,829][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:26:38,834][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:26:42,221][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:26:42,226][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:26:45,625][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 18:26:45,630][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:26:49,366][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:26:49,371][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:26:52,972][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:26:52,976][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:26:56,561][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:26:56,567][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:27:00,376][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:27:00,380][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:27:04,245][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:27:04,250][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:27:07,749][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:27:07,754][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:27:10,894][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:27:10,898][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:27:14,553][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:27:14,559][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:27:18,014][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:27:18,018][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:27:21,236][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:27:21,241][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:27:24,711][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:27:24,716][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:27:28,091][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:27:28,096][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:27:31,622][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:27:31,627][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:27:35,494][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:27:35,501][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:27:38,630][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:27:38,637][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:27:41,607][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:27:41,613][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:27:44,536][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:27:44,539][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:27:47,407][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:27:47,412][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:27:50,340][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:27:50,345][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:27:53,308][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:27:53,313][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:27:56,272][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:27:56,278][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:27:59,227][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:27:59,233][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:28:02,197][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:28:02,202][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:28:05,140][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:28:05,145][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:28:08,062][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:28:08,066][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:28:10,956][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:28:10,961][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:28:13,864][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:28:13,871][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:28:17,164][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:28:17,170][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:28:20,115][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:28:20,120][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:28:23,169][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:28:23,175][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:28:26,100][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:28:26,105][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:28:29,040][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:28:29,045][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:28:32,075][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:28:32,079][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:28:35,262][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:28:35,267][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:28:38,201][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:28:38,205][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:28:41,106][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:28:41,110][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:28:43,993][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:28:43,998][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:28:46,929][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:28:46,933][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:28:49,861][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:28:49,866][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:28:52,785][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:28:52,790][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:28:55,736][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:28:55,742][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:28:58,703][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:28:58,707][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:29:07,931][__main__][INFO] - Finished design in 2.78 minutes +[2024-04-15 18:29:07,932][__main__][INFO] - Making design testoutputs/binder_test_88 +[2024-04-15 18:29:07,950][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A11-151/0 100-100'] +[2024-04-15 18:29:08,008][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:29:11,112][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.16 +[2024-04-15 18:29:11,117][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:29:14,032][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:29:14,036][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:29:16,969][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:29:16,973][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:29:19,921][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:29:19,926][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:29:22,883][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:29:22,889][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:29:25,828][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:29:25,834][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:29:29,865][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:29:29,871][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:29:34,295][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:29:50,856][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:29:54,728][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:29:54,733][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:29:57,892][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:29:57,896][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:30:00,851][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:30:00,857][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:30:03,813][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:30:03,818][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:30:06,743][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:30:06,748][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:30:09,706][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:30:09,710][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:30:12,658][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:30:12,663][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:30:15,619][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:30:15,624][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:30:18,561][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:30:18,566][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:30:21,442][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:30:21,446][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:30:24,339][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:30:24,344][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:30:27,306][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:30:27,311][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:30:30,284][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:30:30,289][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:30:33,239][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:30:33,244][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:30:36,178][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:30:36,183][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:30:39,151][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:30:39,156][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:30:42,120][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:30:42,123][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:30:45,025][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:30:45,029][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:30:47,951][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:30:47,956][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:30:50,944][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:30:50,949][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:30:53,877][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:30:53,882][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:30:56,807][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:30:56,812][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:30:59,785][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:30:59,791][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:31:02,759][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:31:02,764][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:31:05,707][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:31:05,713][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:31:08,649][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:31:08,656][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:31:11,588][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:31:11,594][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:31:14,566][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:31:14,571][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:31:17,509][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:31:17,514][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:31:20,466][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:31:20,469][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:31:23,406][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:31:23,410][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:31:26,363][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:31:26,369][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:31:29,317][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:31:29,322][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:31:32,283][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:31:32,289][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:31:35,221][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 18:31:35,226][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:31:38,146][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 18:31:38,150][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:31:41,101][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 18:31:41,107][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:31:44,054][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 18:31:44,057][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:31:46,986][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 18:31:46,990][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:31:49,951][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 18:31:49,956][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:31:52,920][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 18:31:52,926][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:32:02,154][__main__][INFO] - Finished design in 2.90 minutes +[2024-04-15 18:32:02,154][__main__][INFO] - Making design testoutputs/binder_test_89 +[2024-04-15 18:32:02,170][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A11-151/0 100-100'] +[2024-04-15 18:32:02,225][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:32:05,346][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.16 +[2024-04-15 18:32:05,352][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:32:08,295][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:32:08,300][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:32:11,257][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:32:11,263][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:32:14,186][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:32:14,190][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:32:17,134][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:32:17,140][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:32:20,084][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:32:20,090][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:32:23,026][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 18:32:23,030][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:32:25,982][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:32:25,986][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:32:28,891][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:32:28,897][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:32:32,795][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:32:32,801][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:32:36,243][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:32:36,248][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:32:39,598][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:32:39,603][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:32:43,157][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:32:43,162][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:32:46,746][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:32:46,752][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:32:50,440][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:32:50,444][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:32:53,538][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:32:53,543][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:32:57,040][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:32:57,044][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:33:00,635][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:33:00,640][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:33:04,469][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:33:04,478][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:33:08,006][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:33:08,012][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:33:11,623][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:33:11,646][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:33:15,289][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:33:15,294][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:33:18,643][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:33:18,647][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:33:22,142][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:33:22,147][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:33:25,650][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:33:25,657][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:33:29,280][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:33:29,285][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:33:32,952][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:33:32,956][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:33:36,954][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:33:36,959][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:33:40,176][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:33:40,182][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:33:44,099][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:33:44,104][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:33:47,467][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:33:47,472][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:33:50,664][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:33:50,670][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:33:53,759][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:33:53,778][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:33:56,811][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:33:56,816][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:33:59,785][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:33:59,790][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:34:02,736][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:34:02,741][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:34:05,686][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:34:05,691][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:34:08,636][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:34:08,640][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:34:11,589][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:34:11,594][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:34:14,538][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:34:14,542][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:34:17,497][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:34:17,502][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:34:20,441][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:34:20,444][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:34:23,350][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:34:23,354][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:34:26,265][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:34:26,269][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:34:29,153][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:34:29,158][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:34:32,121][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:34:32,127][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:34:35,100][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:34:35,106][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:34:38,045][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 18:34:38,049][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:34:40,959][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 18:34:40,965][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:34:50,368][__main__][INFO] - Finished design in 2.80 minutes +[2024-04-15 18:34:50,369][__main__][INFO] - Making design testoutputs/binder_test_90 +[2024-04-15 18:34:50,388][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A11-151/0 100-100'] +[2024-04-15 18:34:50,437][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:34:53,611][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2024-04-15 18:34:53,616][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:34:56,517][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:34:56,522][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:34:59,427][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 18:34:59,433][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:35:02,408][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:35:02,413][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:35:05,392][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 18:35:05,396][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:35:08,330][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:35:08,336][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:35:11,271][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:35:11,276][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:35:14,229][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:35:14,234][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:35:17,183][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:35:17,189][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:35:20,118][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:35:20,122][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:35:23,002][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:35:23,007][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:35:25,964][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:35:25,968][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:35:28,920][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:35:28,926][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:35:31,863][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:35:31,867][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:35:34,823][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:35:34,828][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:35:37,804][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:35:37,809][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:35:40,741][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:35:40,747][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:35:43,690][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:35:43,694][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:35:46,542][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:35:46,547][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:35:49,467][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:35:49,475][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:35:52,428][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:35:52,433][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:35:55,367][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:35:55,375][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:35:58,374][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:35:58,381][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:36:01,347][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:36:01,354][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:36:04,333][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:36:04,341][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:36:07,262][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:36:07,266][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:36:10,168][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:36:10,175][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:36:13,102][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:36:13,107][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:36:16,048][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:36:16,053][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:36:19,006][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:36:19,011][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:36:21,953][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:36:21,958][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:36:24,869][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:36:24,874][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:36:27,838][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:36:27,845][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:36:30,758][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:36:30,762][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:36:33,624][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 18:36:33,630][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:36:36,549][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 18:36:36,554][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:36:39,489][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:36:39,495][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:36:42,424][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:36:42,431][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:36:45,385][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:36:45,392][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:36:48,326][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:36:48,332][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:36:51,280][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:36:51,285][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:36:54,227][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:36:54,231][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:36:57,148][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:36:57,157][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:37:00,059][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:37:00,065][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:37:03,029][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:37:03,033][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:37:05,976][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:37:05,982][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:37:08,883][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 18:37:08,888][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:37:11,831][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:37:11,836][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:37:14,771][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 18:37:14,776][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:37:24,006][__main__][INFO] - Finished design in 2.56 minutes +[2024-04-15 18:37:24,006][__main__][INFO] - Making design testoutputs/binder_test_91 +[2024-04-15 18:37:24,034][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A11-151/0 100-100'] +[2024-04-15 18:37:24,094][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:37:27,226][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2024-04-15 18:37:27,232][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:37:30,127][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:37:30,133][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:37:33,065][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:37:33,071][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:37:36,023][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:37:36,027][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:37:38,962][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:37:38,968][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:37:41,930][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:37:41,936][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:37:44,874][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:37:44,881][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:37:47,828][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:37:47,833][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:37:50,721][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:37:50,726][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:37:53,632][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:37:53,638][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:37:56,600][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:37:56,604][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:37:59,574][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:37:59,580][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:38:02,531][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:38:02,536][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:38:05,500][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:38:05,505][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:38:08,449][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:38:08,454][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:38:11,428][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:38:11,433][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:38:14,385][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:38:14,394][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:38:17,292][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:38:17,297][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:38:20,259][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:38:20,268][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:38:23,262][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:38:23,267][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:38:26,224][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:38:26,229][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:38:29,185][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:38:29,191][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:38:32,182][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:38:32,190][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:38:35,151][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:38:35,158][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:38:38,122][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:38:38,128][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:38:41,074][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:38:41,080][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:38:43,982][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:38:43,987][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:38:46,927][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:38:46,934][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:38:49,908][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:38:49,914][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:38:52,895][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:38:52,901][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:38:55,864][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:38:55,870][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:38:58,847][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:38:58,852][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:39:01,837][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:39:01,843][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:39:04,811][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:39:04,817][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:39:07,712][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:39:07,717][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:39:10,723][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:39:10,729][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:39:13,720][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:39:13,725][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:39:16,684][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:39:16,688][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:39:19,612][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:39:19,618][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:39:22,584][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:39:22,590][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:39:25,567][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:39:25,572][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:39:28,508][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:39:28,513][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:39:31,404][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:39:31,410][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:39:34,311][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:39:34,317][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:39:37,252][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:39:37,258][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:39:40,174][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:39:40,180][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:39:43,102][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:39:43,110][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:39:46,051][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:39:46,056][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:39:49,025][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:39:49,033][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:39:58,349][__main__][INFO] - Finished design in 2.57 minutes +[2024-04-15 18:39:58,350][__main__][INFO] - Making design testoutputs/binder_test_92 +[2024-04-15 18:39:58,374][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A11-151/0 100-100'] +[2024-04-15 18:39:58,430][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:40:01,698][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2024-04-15 18:40:01,704][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:40:04,609][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:40:04,614][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:40:07,563][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:40:07,570][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:40:10,580][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:40:10,585][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:40:13,543][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:40:13,548][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:40:16,504][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:40:16,510][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:40:19,496][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:40:19,501][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:40:22,479][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:40:22,485][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:40:25,452][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:40:25,457][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:40:28,378][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:40:28,383][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:40:31,315][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:40:31,321][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:40:34,270][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:40:34,274][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:40:37,213][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:40:37,219][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:40:40,177][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:40:40,182][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:40:43,146][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:40:43,151][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:40:46,130][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:40:46,135][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:40:49,098][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:40:49,104][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:40:52,053][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:40:52,062][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:40:54,975][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:40:54,981][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:40:57,925][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:40:57,929][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:41:00,869][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:41:00,874][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:41:03,804][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:41:03,809][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:41:06,785][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:41:06,792][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:41:09,760][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:41:09,765][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:41:12,713][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:41:12,719][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:41:15,672][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:41:15,679][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:41:18,570][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:41:18,576][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:41:21,525][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:41:21,531][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:41:24,508][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:41:24,516][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:41:27,499][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:41:27,505][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:41:30,478][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:41:30,484][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:41:33,447][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:41:33,452][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:41:36,418][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:41:36,424][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:41:39,382][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:41:39,386][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:41:42,298][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:41:42,304][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:41:45,220][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:41:45,227][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:41:48,212][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:41:48,221][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:41:51,180][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:41:51,186][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:41:54,153][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:41:54,158][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:41:57,104][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:41:57,111][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:42:00,058][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:42:00,064][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:42:03,002][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:42:03,008][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:42:05,957][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:42:05,973][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:42:08,873][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:42:08,879][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:42:11,833][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:42:11,840][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:42:14,792][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:42:14,798][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:42:17,764][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:42:17,769][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:42:20,713][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:42:20,719][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:42:23,696][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:42:23,702][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:42:33,201][__main__][INFO] - Finished design in 2.58 minutes +[2024-04-15 18:42:33,201][__main__][INFO] - Making design testoutputs/binder_test_93 +[2024-04-15 18:42:33,224][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A11-151/0 100-100'] +[2024-04-15 18:42:33,284][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:42:36,544][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.16 +[2024-04-15 18:42:36,550][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:42:39,476][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:42:39,482][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:42:42,374][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:42:42,381][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:42:45,329][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:42:45,336][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:42:48,274][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:42:48,279][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:42:51,237][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:42:51,242][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:42:54,192][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:42:54,200][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:42:57,174][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:42:57,179][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:43:00,126][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:43:00,130][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:43:03,111][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 18:43:03,116][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:43:06,020][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 18:43:06,026][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:43:08,944][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:43:08,953][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:43:11,894][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:43:11,899][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:43:14,862][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:43:14,867][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:43:17,790][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 18:43:17,796][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:43:20,792][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:43:20,797][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:43:23,763][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:43:23,769][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:43:26,713][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:43:26,718][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:43:29,652][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:43:29,656][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:43:32,550][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:43:32,557][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:43:35,538][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:43:35,547][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:43:38,560][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:43:38,567][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:43:41,515][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:43:41,520][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:43:44,471][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:43:44,476][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:43:47,418][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:43:47,423][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:43:50,378][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:43:50,383][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:43:53,334][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:43:53,339][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:43:56,266][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:43:56,273][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:43:59,204][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:43:59,211][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:44:02,157][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:44:02,163][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:44:05,109][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:44:05,114][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:44:08,069][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:44:08,074][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:44:11,011][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:44:11,018][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:44:13,983][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:44:13,988][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:44:16,949][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:44:16,957][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:44:19,910][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:44:19,916][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:44:22,798][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:44:22,804][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:44:25,760][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:44:25,766][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:44:28,697][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:44:28,704][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:44:31,659][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:44:31,665][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:44:34,615][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:44:34,620][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:44:37,556][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:44:37,562][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:44:40,485][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:44:40,490][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:44:43,436][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:44:43,443][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:44:46,322][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:44:46,328][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:44:49,279][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:44:49,284][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:44:52,237][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:44:52,242][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:44:55,190][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:44:55,194][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:44:58,134][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:44:58,139][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:45:07,557][__main__][INFO] - Finished design in 2.57 minutes +[2024-04-15 18:45:07,557][__main__][INFO] - Making design testoutputs/binder_test_94 +[2024-04-15 18:45:07,588][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A11-151/0 100-100'] +[2024-04-15 18:45:07,640][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:45:10,822][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2024-04-15 18:45:10,828][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:45:13,806][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:45:13,811][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:45:16,701][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:45:16,707][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:45:19,616][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:45:19,621][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:45:22,583][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:45:22,589][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:45:25,541][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:45:25,547][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:45:28,517][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:45:28,523][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:45:31,470][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:45:31,476][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:45:34,436][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:45:34,441][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:45:37,389][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:45:37,395][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:45:40,296][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:45:40,301][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:45:43,211][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:45:43,217][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:45:46,176][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:45:46,184][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:45:49,199][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:45:49,208][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:45:52,195][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2024-04-15 18:45:52,201][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:45:55,157][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:45:55,162][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:45:58,142][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:45:58,147][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:46:01,107][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:46:01,113][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:46:04,067][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:46:04,073][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:46:07,032][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:46:07,037][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:46:09,973][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:46:09,979][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:46:12,933][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:46:12,939][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:46:15,898][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:46:15,904][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:46:18,864][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:46:18,869][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:46:21,819][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:46:21,824][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:46:24,807][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:46:24,813][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:46:27,757][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:46:27,763][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:46:30,676][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:46:30,682][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:46:33,585][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:46:33,590][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:46:36,532][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:46:36,537][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:46:39,508][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:46:39,513][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:46:42,526][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 18:46:42,532][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:46:45,487][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:46:45,493][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:46:48,448][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:46:48,454][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:46:51,410][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:46:51,416][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:46:54,370][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:46:54,376][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:46:57,319][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:46:57,325][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:47:00,207][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:47:00,213][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:47:03,169][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:47:03,176][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:47:06,140][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:47:06,146][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:47:09,079][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:47:09,085][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:47:12,040][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:47:12,046][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:47:14,990][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:47:14,996][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:47:17,933][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:47:17,938][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:47:20,847][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:47:20,853][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:47:23,721][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:47:23,726][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:47:26,668][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:47:26,674][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:47:29,630][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:47:29,636][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:47:32,566][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:47:32,571][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:47:41,859][__main__][INFO] - Finished design in 2.57 minutes +[2024-04-15 18:47:41,860][__main__][INFO] - Making design testoutputs/binder_test_95 +[2024-04-15 18:47:41,888][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A11-151/0 100-100'] +[2024-04-15 18:47:41,950][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:47:45,213][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2024-04-15 18:47:45,218][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:47:48,193][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:47:48,198][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:47:51,157][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:47:51,162][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:47:54,075][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:47:54,082][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:47:56,999][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:47:57,005][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:47:59,972][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:47:59,979][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:48:02,920][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:48:02,924][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:48:05,890][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:48:05,896][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:48:08,883][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:48:08,890][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:48:11,858][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:48:11,863][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:48:14,813][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:48:14,819][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:48:17,768][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:48:17,774][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:48:20,684][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:48:20,691][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:48:23,646][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:48:23,651][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:48:26,587][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:48:26,595][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:48:29,547][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:48:29,553][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:48:32,501][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:48:32,509][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:48:35,465][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:48:35,470][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:48:38,440][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:48:38,445][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:48:41,404][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:48:41,410][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:48:44,288][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:48:44,294][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:48:47,262][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:48:47,268][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:48:50,231][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:48:50,237][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:48:53,206][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:48:53,212][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:48:56,211][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:48:56,216][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:48:59,169][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:48:59,174][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:49:02,130][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:49:02,146][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:49:05,119][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:49:05,126][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:49:08,116][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:49:08,122][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:49:11,031][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:49:11,036][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:49:13,983][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:49:13,989][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:49:16,935][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:49:16,939][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:49:19,898][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:49:19,903][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:49:22,846][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:49:22,851][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:49:25,800][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:49:25,807][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:49:28,787][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:49:28,792][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:49:31,761][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:49:31,768][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:49:34,667][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:49:34,672][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:49:37,579][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:49:37,585][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:49:40,538][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:49:40,543][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:49:43,528][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:49:43,534][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:49:46,462][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:49:46,468][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:49:49,400][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 18:49:49,407][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:49:52,372][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 18:49:52,378][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:49:55,352][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 18:49:55,359][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:49:58,326][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 18:49:58,331][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:50:01,218][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 18:50:01,225][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:50:04,157][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 18:50:04,163][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:50:07,095][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 18:50:07,100][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:50:16,494][__main__][INFO] - Finished design in 2.58 minutes +[2024-04-15 18:50:16,494][__main__][INFO] - Making design testoutputs/binder_test_96 +[2024-04-15 18:50:16,516][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A11-151/0 100-100'] +[2024-04-15 18:50:16,576][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:50:19,731][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2024-04-15 18:50:19,738][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:50:22,711][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2024-04-15 18:50:22,717][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:50:25,678][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:50:25,684][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:50:28,627][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:50:28,632][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:50:31,541][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:50:31,548][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:50:34,493][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:50:34,497][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:50:37,432][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:50:37,438][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:50:40,430][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:50:40,436][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:50:43,404][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:50:43,410][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:50:46,411][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:50:46,417][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:50:49,392][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:50:49,397][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:50:52,426][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:50:52,431][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:50:55,384][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:50:55,391][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:50:58,315][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:50:58,321][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:51:01,313][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:51:01,319][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:51:04,269][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:51:04,274][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:51:07,228][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:51:07,233][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:51:10,210][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:51:10,215][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:51:13,173][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:51:13,179][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:51:16,180][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:51:16,185][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:51:19,157][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:51:19,164][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:51:22,130][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:51:22,136][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:51:25,034][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:51:25,040][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:51:27,985][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:51:27,992][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:51:30,956][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:51:30,961][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:51:33,908][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:51:33,914][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:51:36,925][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:51:36,932][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:51:39,865][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:51:39,870][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:51:42,831][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:51:42,837][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:51:45,791][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:51:45,796][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:51:48,689][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:51:48,694][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:51:51,649][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:51:51,655][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:51:54,585][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:51:54,590][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:51:57,574][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:51:57,581][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:52:00,523][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:52:00,531][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:52:03,549][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:52:03,556][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:52:06,520][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:52:06,525][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:52:09,465][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:52:09,471][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:52:12,371][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:52:12,376][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:52:15,259][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:52:15,265][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:52:18,200][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:52:18,207][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:52:21,149][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:52:21,154][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:52:24,111][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:52:24,117][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:52:27,108][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:52:27,115][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:52:30,074][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:52:30,080][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:52:33,008][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:52:33,016][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:52:35,955][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:52:35,959][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:52:38,827][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:52:38,833][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:52:41,807][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:52:41,813][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:52:51,132][__main__][INFO] - Finished design in 2.58 minutes +[2024-04-15 18:52:51,133][__main__][INFO] - Making design testoutputs/binder_test_97 +[2024-04-15 18:52:51,154][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A11-151/0 100-100'] +[2024-04-15 18:52:51,201][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:52:54,368][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2024-04-15 18:52:54,373][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:52:57,326][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:52:57,332][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:53:00,292][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:53:00,299][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:53:03,263][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:53:03,270][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:53:06,210][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:53:06,216][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:53:09,110][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:53:09,115][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:53:12,079][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:53:12,084][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:53:15,048][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:53:15,055][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:53:18,032][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:53:18,038][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:53:20,978][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:53:20,984][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:53:23,968][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:53:23,975][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:53:26,963][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:53:26,969][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:53:29,955][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:53:29,959][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:53:32,921][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:53:32,927][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:53:35,846][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:53:35,850][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:53:38,782][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:53:38,788][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:53:41,739][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:53:41,744][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:53:44,714][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:53:44,720][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:53:47,692][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:53:47,702][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:53:50,662][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:53:50,668][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:53:53,619][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:53:53,624][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:53:56,590][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:53:56,596][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:53:59,500][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:53:59,507][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:54:02,494][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:54:02,500][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:54:05,538][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:54:05,544][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:54:08,521][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:54:08,525][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:54:11,458][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:54:11,465][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:54:14,442][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:54:14,447][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:54:17,429][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:54:17,435][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:54:20,389][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:54:20,396][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:54:23,414][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:54:23,421][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:54:26,347][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:54:26,353][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:54:29,330][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:54:29,336][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:54:32,318][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:54:32,323][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:54:35,323][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:54:35,329][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:54:38,333][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:54:38,339][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:54:41,283][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:54:41,289][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:54:44,234][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:54:44,240][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:54:47,188][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:54:47,195][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:54:50,155][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:54:50,160][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:54:53,060][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:54:53,066][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:54:56,024][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:54:56,030][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:54:58,975][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:54:58,980][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:55:01,962][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:55:01,968][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:55:04,928][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 18:55:04,933][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:55:07,910][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:55:07,916][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:55:10,859][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:55:10,865][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:55:13,838][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 18:55:13,843][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:55:16,755][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 18:55:16,760][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:55:26,068][__main__][INFO] - Finished design in 2.58 minutes +[2024-04-15 18:55:26,068][__main__][INFO] - Making design testoutputs/binder_test_98 +[2024-04-15 18:55:26,092][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A11-151/0 100-100'] +[2024-04-15 18:55:26,149][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:55:29,424][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2024-04-15 18:55:29,429][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:55:32,368][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2024-04-15 18:55:32,373][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:55:35,307][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:55:35,313][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:55:38,251][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:55:38,256][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:55:41,238][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:55:41,244][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:55:44,205][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:55:44,210][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:55:47,147][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:55:47,153][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:55:50,019][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:55:50,027][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:55:52,976][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:55:52,983][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:55:55,935][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:55:55,942][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:55:58,872][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:55:58,877][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:56:01,838][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:56:01,844][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:56:04,802][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:56:04,807][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:56:07,772][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:56:07,777][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:56:10,739][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:56:10,744][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:56:13,615][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:56:13,622][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:56:16,570][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:56:16,574][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:56:19,496][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:56:19,502][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:56:22,435][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:56:22,440][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:56:25,374][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:56:25,381][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:56:28,317][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:56:28,323][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:56:31,274][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:56:31,280][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:56:34,240][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:56:34,245][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:56:37,131][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:56:37,136][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:56:40,067][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:56:40,072][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:56:43,037][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:56:43,043][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:56:46,004][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:56:46,011][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:56:48,964][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:56:48,969][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:56:51,923][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:56:51,929][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:56:54,866][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:56:54,871][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:56:57,807][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:56:57,812][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:57:00,709][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:57:00,715][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:57:03,642][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:57:03,648][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:57:06,581][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:57:06,587][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:57:09,557][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:57:09,563][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:57:12,492][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:57:12,497][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:57:15,421][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:57:15,426][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:57:18,379][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:57:18,386][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:57:21,322][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:57:21,326][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:57:24,214][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:57:24,219][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:57:27,079][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:57:27,084][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:57:30,003][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:57:30,008][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:57:32,929][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:57:32,935][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:57:35,869][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:57:35,875][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:57:38,803][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:57:38,809][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:57:41,756][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:57:41,761][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:57:44,674][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:57:44,680][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:57:47,599][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:57:47,604][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:57:50,524][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:57:50,530][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:57:59,828][__main__][INFO] - Finished design in 2.56 minutes +[2024-04-15 18:57:59,829][__main__][INFO] - Making design testoutputs/binder_test_99 +[2024-04-15 18:57:59,853][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A11-151/0 100-100'] +[2024-04-15 18:57:59,907][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:58:03,045][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2024-04-15 18:58:03,051][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:58:05,971][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:58:05,977][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:58:08,936][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:58:08,942][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:58:11,875][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:58:11,880][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:58:14,812][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:58:14,818][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:58:17,715][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 18:58:17,721][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:58:20,654][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:58:20,659][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:58:23,605][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 18:58:23,610][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:58:26,568][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:58:26,574][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:58:29,546][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:58:29,553][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:58:32,532][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:58:32,537][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:58:35,496][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:58:35,502][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:58:38,466][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:58:38,472][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:58:41,388][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:58:41,394][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:58:44,311][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:58:44,318][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:58:47,262][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:58:47,270][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:58:50,224][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:58:50,230][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:58:53,153][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2024-04-15 18:58:53,158][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:58:56,128][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2024-04-15 18:58:56,135][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:58:59,101][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.15 +[2024-04-15 18:58:59,106][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:59:02,093][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:59:02,099][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:59:05,026][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:59:05,031][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:59:07,895][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:59:07,902][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:59:10,883][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:59:10,888][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:59:13,840][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:59:13,848][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:59:16,817][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:59:16,823][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:59:19,801][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:59:19,805][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:59:22,757][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:59:22,762][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:59:25,697][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:59:25,703][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:59:28,650][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:59:28,655][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:59:31,546][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:59:31,554][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:59:34,478][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:59:34,488][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:59:37,462][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:59:37,469][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:59:40,443][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:59:40,448][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:59:43,393][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:59:43,399][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:59:46,352][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:59:46,358][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:59:49,288][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:59:49,294][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:59:52,295][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 18:59:52,302][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:59:55,220][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 18:59:55,228][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 18:59:58,110][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 18:59:58,115][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 19:00:01,074][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 19:00:01,081][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 19:00:04,036][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 19:00:04,042][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 19:00:07,016][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 19:00:07,022][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 19:00:09,975][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 19:00:09,981][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 19:00:12,968][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 19:00:12,974][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 19:00:15,918][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 19:00:15,924][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 19:00:18,881][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 19:00:18,887][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 19:00:21,755][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-15 19:00:21,761][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 19:00:24,712][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.14 +[2024-04-15 19:00:24,718][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------SQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEI +[2024-04-15 19:00:33,992][__main__][INFO] - Finished design in 2.57 minutes diff --git a/RFdiffusion/outputs/2024-04-16/15-53-44/.hydra/config.yaml b/RFdiffusion/outputs/2024-04-16/15-53-44/.hydra/config.yaml new file mode 100644 index 0000000000000000000000000000000000000000..94c7895c4dd4884cd316b8e4631505d27be1bbc6 --- /dev/null +++ b/RFdiffusion/outputs/2024-04-16/15-53-44/.hydra/config.yaml @@ -0,0 +1,135 @@ +inference: + input_pdb: C:\Users\adminisiterlator\Desktop\fordesignpdb\4kn0.pdb + num_designs: 50 + design_startnum: 0 + ckpt_override_path: null + symmetry: null + recenter: true + radius: 10.0 + model_only_neighbors: false + output_prefix: testoutputs/binder_test + write_trajectory: true + scaffold_guided: false + model_runner: SelfConditioning + cautious: true + align_motif: true + symmetric_self_cond: true + final_step: 1 + deterministic: false + trb_save_ckpt_path: null + schedule_directory_path: null + model_directory_path: null +contigmap: + contigs: + - A24-226/0 100-100 + inpaint_seq: null + provide_seq: null + length: null +model: + n_extra_block: 4 + n_main_block: 32 + n_ref_block: 4 + d_msa: 256 + d_msa_full: 64 + d_pair: 128 + d_templ: 64 + n_head_msa: 8 + n_head_pair: 4 + n_head_templ: 4 + d_hidden: 32 + d_hidden_templ: 32 + p_drop: 0.15 + SE3_param_full: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 8 + l0_out_features: 8 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 32 + SE3_param_topk: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 64 + l0_out_features: 64 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 64 + freeze_track_motif: false + use_motif_timestep: false +diffuser: + T: 50 + b_0: 0.01 + b_T: 0.07 + schedule_type: linear + so3_type: igso3 + crd_scale: 0.25 + partial_T: null + so3_schedule_type: linear + min_b: 1.5 + max_b: 2.5 + min_sigma: 0.02 + max_sigma: 1.5 +denoiser: + noise_scale_ca: 1 + final_noise_scale_ca: 1 + ca_noise_schedule_type: constant + noise_scale_frame: 1 + final_noise_scale_frame: 1 + frame_noise_schedule_type: constant +ppi: + hotspot_res: + - A97 + - A98 + - A116 + - A118 + - A119 + - A151 + - A153 + - A154 + - A156 + - A190 +potentials: + guiding_potentials: null + guide_scale: 10 + guide_decay: constant + olig_inter_all: null + olig_intra_all: null + olig_custom_contact: null + substrate: null +contig_settings: + ref_idx: null + hal_idx: null + idx_rf: null + inpaint_seq_tensor: null +preprocess: + sidechain_input: false + motif_sidechain_input: true + d_t1d: 22 + d_t2d: 44 + prob_self_cond: 0.0 + str_self_cond: false + predict_previous: false +logging: + inputs: false +scaffoldguided: + scaffoldguided: false + target_pdb: false + target_path: null + scaffold_list: null + scaffold_dir: null + sampled_insertion: 0 + sampled_N: 0 + sampled_C: 0 + ss_mask: 0 + systematic: false + target_ss: null + target_adj: null + mask_loops: true + contig_crop: null diff --git a/RFdiffusion/outputs/2024-04-16/15-53-44/.hydra/hydra.yaml b/RFdiffusion/outputs/2024-04-16/15-53-44/.hydra/hydra.yaml new file mode 100644 index 0000000000000000000000000000000000000000..b6f259485994eb6cf20086e859f686f64306f464 --- /dev/null +++ b/RFdiffusion/outputs/2024-04-16/15-53-44/.hydra/hydra.yaml @@ -0,0 +1,160 @@ +hydra: + run: + dir: outputs/${now:%Y-%m-%d}/${now:%H-%M-%S} + sweep: + dir: multirun/${now:%Y-%m-%d}/${now:%H-%M-%S} + subdir: ${hydra.job.num} + launcher: + _target_: hydra._internal.core_plugins.basic_launcher.BasicLauncher + sweeper: + _target_: hydra._internal.core_plugins.basic_sweeper.BasicSweeper + max_batch_size: null + params: null + help: + app_name: ${hydra.job.name} + header: '${hydra.help.app_name} is powered by Hydra. + + ' + footer: 'Powered by Hydra (https://hydra.cc) + + Use --hydra-help to view Hydra specific help + + ' + template: '${hydra.help.header} + + == Configuration groups == + + Compose your configuration from those groups (group=option) + + + $APP_CONFIG_GROUPS + + + == Config == + + Override anything in the config (foo.bar=value) + + + $CONFIG + + + ${hydra.help.footer} + + ' + hydra_help: + template: 'Hydra (${hydra.runtime.version}) + + See https://hydra.cc for more info. + + + == Flags == + + $FLAGS_HELP + + + == Configuration groups == + + Compose your configuration from those groups (For example, append hydra/job_logging=disabled + to command line) + + + $HYDRA_CONFIG_GROUPS + + + Use ''--cfg hydra'' to Show the Hydra config. + + ' + hydra_help: ??? + hydra_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][HYDRA] %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + root: + level: INFO + handlers: + - console + loggers: + logging_example: + level: DEBUG + disable_existing_loggers: false + job_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][%(name)s][%(levelname)s] - %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + file: + class: logging.FileHandler + formatter: simple + filename: ${hydra.runtime.output_dir}/${hydra.job.name}.log + root: + level: INFO + handlers: + - console + - file + disable_existing_loggers: false + env: {} + mode: RUN + searchpath: [] + callbacks: {} + output_subdir: .hydra + overrides: + hydra: + - hydra.mode=RUN + task: + - inference.output_prefix=./ + - inference.input_pdb=C:\Users\adminisiterlator\Desktop\fordesignpdb\4kn0.pdb + - contigmap.contigs=[A24-226/0 100-100] + - ppi.hotspot_res=[A97,A98,A116,A118,A119,A151,A153,A154,A156,A190] + - inference.output_prefix=testoutputs/binder_test + - inference.num_designs=50 + job: + name: run_inference + chdir: null + override_dirname: contigmap.contigs=[A24-226/0 100-100],inference.input_pdb=C:\Users\adminisiterlator\Desktop\fordesignpdb\4kn0.pdb,inference.num_designs=50,inference.output_prefix=./,inference.output_prefix=testoutputs/binder_test,ppi.hotspot_res=[A97,A98,A116,A118,A119,A151,A153,A154,A156,A190] + id: ??? + num: ??? + config_name: base + env_set: {} + env_copy: [] + config: + override_dirname: + kv_sep: '=' + item_sep: ',' + exclude_keys: [] + runtime: + version: 1.3.2 + version_base: '1.3' + cwd: C:\Users\adminisiterlator\RFdiffusion + config_sources: + - path: hydra.conf + schema: pkg + provider: hydra + - path: C:\Users\adminisiterlator\RFdiffusion\config\inference + schema: file + provider: main + - path: '' + schema: structured + provider: schema + output_dir: C:\Users\adminisiterlator\RFdiffusion\outputs\2024-04-16\15-53-44 + choices: + hydra/env: default + hydra/callbacks: null + hydra/job_logging: default + hydra/hydra_logging: default + hydra/hydra_help: default + hydra/help: default + hydra/sweeper: basic + hydra/launcher: basic + hydra/output: default + verbose: false diff --git a/RFdiffusion/outputs/2024-04-16/15-53-44/.hydra/overrides.yaml b/RFdiffusion/outputs/2024-04-16/15-53-44/.hydra/overrides.yaml new file mode 100644 index 0000000000000000000000000000000000000000..b315d1b61599fd0785943bba0a54e5b6b87f8f92 --- /dev/null +++ b/RFdiffusion/outputs/2024-04-16/15-53-44/.hydra/overrides.yaml @@ -0,0 +1,6 @@ +- inference.output_prefix=./ +- inference.input_pdb=C:\Users\adminisiterlator\Desktop\fordesignpdb\4kn0.pdb +- contigmap.contigs=[A24-226/0 100-100] +- ppi.hotspot_res=[A97,A98,A116,A118,A119,A151,A153,A154,A156,A190] +- inference.output_prefix=testoutputs/binder_test +- inference.num_designs=50 diff --git a/RFdiffusion/outputs/2024-04-16/15-53-44/run_inference.log b/RFdiffusion/outputs/2024-04-16/15-53-44/run_inference.log new file mode 100644 index 0000000000000000000000000000000000000000..877899403367a558fc4edc2441c0824bbb1882b3 --- /dev/null +++ b/RFdiffusion/outputs/2024-04-16/15-53-44/run_inference.log @@ -0,0 +1,5104 @@ +[2024-04-16 15:53:44,703][__main__][INFO] - Found GPU with device_name NVIDIA GeForce RTX 2060. Will run RFdiffusion on NVIDIA GeForce RTX 2060 +[2024-04-16 15:53:44,704][rfdiffusion.inference.model_runners][INFO] - Reading checkpoint from C:\Users\adminisiterlator\RFdiffusion\rfdiffusion\inference/../../models/Complex_base_ckpt.pt +[2024-04-16 15:53:51,085][rfdiffusion.inference.model_runners][INFO] - Loading checkpoint. +[2024-04-16 15:53:58,686][rfdiffusion.diffusion][INFO] - Using cached IGSO3. +[2024-04-16 15:53:58,718][__main__][INFO] - Making design testoutputs/binder_test_0 +[2024-04-16 15:53:58,749][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A24-226/0 100-100'] +[2024-04-16 15:53:58,824][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 15:54:09,526][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 15:54:09,538][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 15:54:14,849][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 15:54:14,855][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 15:54:19,227][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 15:54:19,233][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 15:54:23,508][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 15:54:23,514][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 15:54:27,767][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 15:54:27,772][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 15:54:32,041][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 15:54:32,046][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 15:54:36,338][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 15:54:36,342][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 15:54:40,637][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 15:54:40,642][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 15:54:44,907][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 15:54:44,912][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 15:54:49,171][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 15:54:49,177][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 15:54:53,476][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 15:54:53,481][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 15:54:57,757][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 15:54:57,762][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 15:55:02,015][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 15:55:02,020][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 15:55:06,298][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 15:55:06,303][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 15:55:10,764][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 15:55:10,768][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 15:55:15,114][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 15:55:15,118][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 15:55:19,590][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 15:55:19,595][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 15:55:24,000][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 15:55:24,005][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 15:55:28,349][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 15:55:28,354][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 15:55:32,689][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 15:55:32,694][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 15:55:39,751][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 15:55:39,757][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 15:55:44,111][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 15:55:44,116][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 15:55:48,589][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 15:55:48,595][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 15:55:52,913][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 15:55:52,918][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 15:55:57,346][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 15:55:57,351][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 15:56:01,756][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 15:56:01,761][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 15:56:06,123][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 15:56:06,128][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 15:56:10,582][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 15:56:10,586][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 15:56:14,979][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 15:56:14,983][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 15:56:19,317][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 15:56:19,322][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 15:56:23,727][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 15:56:23,731][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 15:56:28,064][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 15:56:28,068][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 15:56:32,389][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 15:56:32,394][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 15:56:36,747][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 15:56:36,753][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 15:56:41,134][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 15:56:41,139][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 15:56:45,577][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 15:56:45,584][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 15:56:49,967][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 15:56:49,972][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 15:56:54,413][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 15:56:54,419][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 15:56:58,787][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 15:56:58,794][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 15:57:03,189][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 15:57:03,194][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 15:57:07,655][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 15:57:07,661][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 15:57:12,071][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 15:57:12,076][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 15:57:16,444][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 15:57:16,448][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 15:57:20,911][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 15:57:20,917][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 15:57:25,277][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 15:57:25,283][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 15:57:29,686][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 15:57:29,692][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 15:57:34,123][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 15:57:34,129][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 15:57:38,510][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 15:57:38,516][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 15:57:42,930][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 15:57:42,935][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 15:57:55,966][__main__][INFO] - Finished design in 3.95 minutes +[2024-04-16 15:57:55,966][__main__][INFO] - Making design testoutputs/binder_test_1 +[2024-04-16 15:57:55,988][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A24-226/0 100-100'] +[2024-04-16 15:57:56,050][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 15:58:00,756][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 15:58:00,762][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 15:58:05,164][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 15:58:05,169][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 15:58:09,538][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 15:58:09,547][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 15:58:13,930][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 15:58:13,938][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 15:58:18,432][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 15:58:18,437][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 15:58:22,842][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 15:58:22,847][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 15:58:27,245][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 15:58:27,251][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 15:58:31,677][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 15:58:31,682][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 15:58:36,077][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 15:58:36,083][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 15:58:40,464][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 15:58:40,470][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 15:58:44,918][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 15:58:44,924][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 15:58:49,300][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 15:58:49,305][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 15:58:53,718][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 15:58:53,723][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 15:58:58,174][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 15:58:58,179][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 15:59:02,579][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 15:59:02,583][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 15:59:06,989][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 15:59:06,995][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 15:59:11,457][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 15:59:11,462][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 15:59:15,878][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 15:59:15,883][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 15:59:20,300][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 15:59:20,306][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 15:59:24,753][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 15:59:24,758][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 15:59:29,189][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 15:59:29,196][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 15:59:33,614][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 15:59:33,619][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 15:59:38,036][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 15:59:38,041][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 15:59:42,442][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 15:59:42,449][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 15:59:46,889][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 15:59:46,895][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 15:59:51,363][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 15:59:51,368][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 15:59:55,795][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 15:59:55,800][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:00:00,175][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:00:00,179][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:00:04,570][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:00:04,574][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:00:08,976][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:00:08,982][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:00:13,419][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:00:13,424][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:00:17,814][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:00:17,819][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:00:22,264][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:00:22,269][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:00:26,671][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:00:26,677][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:00:31,069][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:00:31,075][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:00:35,543][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:00:35,549][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:00:39,957][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:00:39,963][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:00:44,355][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:00:44,362][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:00:48,824][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:00:48,829][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:00:53,202][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:00:53,208][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:00:57,599][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:00:57,605][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:01:02,068][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:01:02,074][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:01:06,493][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:01:06,499][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:01:10,888][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:01:10,894][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:01:15,313][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:01:15,323][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:01:19,761][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:01:19,766][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:01:24,172][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:01:24,176][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:01:28,568][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:01:28,574][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:01:33,064][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:01:33,068][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:01:46,245][__main__][INFO] - Finished design in 3.84 minutes +[2024-04-16 16:01:46,246][__main__][INFO] - Making design testoutputs/binder_test_2 +[2024-04-16 16:01:46,267][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A24-226/0 100-100'] +[2024-04-16 16:01:46,331][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:01:51,064][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:01:51,071][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:01:55,462][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:01:55,467][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:01:59,917][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:01:59,922][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:02:04,348][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:02:04,361][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:02:08,791][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:02:08,796][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:02:13,259][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:02:13,265][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:02:17,691][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:02:17,695][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:02:22,108][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:02:22,113][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:02:26,596][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:02:26,600][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:02:30,998][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:02:31,002][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:02:35,412][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:02:35,418][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:02:39,883][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:02:39,888][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:02:44,284][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:02:44,295][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:02:49,209][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:02:49,214][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:02:54,063][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:02:54,073][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:02:58,827][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:02:58,832][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:03:03,755][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:03:03,760][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:03:08,206][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:03:08,211][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:03:12,841][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:03:12,845][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:03:17,337][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:03:17,343][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:03:21,789][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:03:21,793][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:03:26,222][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:03:26,228][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:03:30,724][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:03:30,728][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:03:35,151][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:03:35,157][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:03:39,609][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:03:39,614][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:03:44,085][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:03:44,091][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:03:48,564][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:03:48,571][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:03:53,048][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:03:53,055][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:03:57,573][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:03:57,577][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:04:01,980][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:04:01,984][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:04:06,408][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:04:06,412][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:04:10,885][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:04:10,890][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:04:15,301][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:04:15,305][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:04:19,769][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:04:19,773][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:04:24,341][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:04:24,346][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:04:29,762][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:04:29,766][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:04:34,534][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:04:34,540][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:04:38,978][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:04:38,985][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:04:43,426][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:04:43,433][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:04:47,929][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:04:47,934][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:04:52,369][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:04:52,374][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:04:56,808][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:04:56,814][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:05:01,326][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:05:01,332][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:05:05,774][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:05:05,780][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:05:10,216][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:05:10,221][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:05:14,706][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:05:14,711][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:05:19,142][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:05:19,148][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:05:23,595][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:05:23,600][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:05:28,093][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:05:28,099][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:05:41,132][__main__][INFO] - Finished design in 3.91 minutes +[2024-04-16 16:05:41,132][__main__][INFO] - Making design testoutputs/binder_test_3 +[2024-04-16 16:05:41,155][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A24-226/0 100-100'] +[2024-04-16 16:05:41,208][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:05:45,905][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:05:45,909][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:05:50,339][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:05:50,345][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:05:54,840][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:05:54,847][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:05:59,307][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:05:59,313][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:06:03,790][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:06:03,796][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:06:08,322][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:06:08,326][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:06:12,809][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:06:12,814][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:06:17,268][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:06:17,273][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:06:21,764][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:06:21,769][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:06:26,218][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:06:26,225][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:06:30,673][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:06:30,680][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:06:35,175][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:06:35,181][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:06:39,643][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:06:39,649][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:06:44,099][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:06:44,105][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:06:48,646][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:06:48,651][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:06:53,095][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:06:53,103][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:06:57,568][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:06:57,574][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:07:02,082][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:07:02,087][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:07:06,528][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:07:06,534][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:07:11,029][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:07:11,035][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:07:15,567][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:07:15,573][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:07:19,990][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:07:19,996][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:07:24,425][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:07:24,431][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:07:28,942][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:07:28,947][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:07:33,465][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:07:33,470][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:07:37,932][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:07:37,936][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:07:42,470][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:07:42,476][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:07:46,941][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:07:46,947][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:07:51,363][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:07:51,369][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:07:55,890][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:07:55,894][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:08:00,322][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:08:00,328][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:08:04,759][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:08:04,765][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:08:09,279][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:08:09,286][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:08:13,741][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:08:13,747][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:08:18,234][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:08:18,240][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:08:22,711][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:08:22,717][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:08:27,146][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:08:27,151][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:08:31,612][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:08:31,617][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:08:36,111][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:08:36,118][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:08:40,577][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:08:40,583][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:08:45,015][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:08:45,019][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:08:49,529][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:08:49,535][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:08:53,960][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:08:53,966][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:08:58,432][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:08:58,440][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:09:02,931][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:09:02,937][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:09:07,391][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:09:07,397][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:09:11,823][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:09:11,829][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:09:16,320][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:09:16,328][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:09:20,785][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:09:20,790][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:09:33,904][__main__][INFO] - Finished design in 3.88 minutes +[2024-04-16 16:09:33,904][__main__][INFO] - Making design testoutputs/binder_test_4 +[2024-04-16 16:09:33,929][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A24-226/0 100-100'] +[2024-04-16 16:09:33,987][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:09:38,818][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:09:38,825][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:09:43,301][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:09:43,308][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:09:47,776][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:09:47,782][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:09:52,286][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:09:52,292][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:09:56,767][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:09:56,772][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:10:01,263][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:10:01,269][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:10:05,755][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:10:05,761][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:10:10,204][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:10:10,209][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:10:14,659][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:10:14,664][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:10:19,133][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:10:19,140][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:10:23,632][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:10:23,640][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:10:28,153][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:10:28,160][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:10:32,712][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:10:32,717][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:10:37,158][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:10:37,164][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:10:41,676][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:10:41,682][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:10:46,235][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:10:46,247][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:10:50,724][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:10:50,731][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:10:55,175][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:10:55,180][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:10:59,710][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:10:59,715][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:11:04,206][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:11:04,213][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:11:08,667][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:11:08,673][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:11:13,164][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:11:13,169][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:11:17,608][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:11:17,614][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:11:22,066][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:11:22,071][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:11:26,570][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:11:26,576][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:11:31,040][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:11:31,043][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:11:35,486][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:11:35,491][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:11:39,994][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:11:39,999][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:11:44,467][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:11:44,473][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:11:48,915][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:11:48,919][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:11:53,434][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:11:53,441][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:11:57,928][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:11:57,934][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:12:02,406][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:12:02,412][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:12:06,921][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:12:06,931][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:12:11,402][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:12:11,408][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:12:15,843][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:12:15,848][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:12:20,354][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:12:20,362][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:12:24,802][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:12:24,809][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:12:29,273][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:12:29,278][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:12:33,767][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:12:33,773][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:12:38,217][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:12:38,222][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:12:42,704][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:12:42,710][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:12:47,215][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:12:47,219][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:12:51,677][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:12:51,684][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:12:56,108][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:12:56,113][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:13:00,626][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:13:00,631][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:13:05,074][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:13:05,080][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:13:09,490][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:13:09,497][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:13:14,027][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:13:14,032][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:13:27,025][__main__][INFO] - Finished design in 3.89 minutes +[2024-04-16 16:13:27,025][__main__][INFO] - Making design testoutputs/binder_test_5 +[2024-04-16 16:13:27,046][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A24-226/0 100-100'] +[2024-04-16 16:13:27,103][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:13:31,758][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:13:31,763][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:13:36,195][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:13:36,201][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:13:40,713][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:13:40,718][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:13:45,174][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:13:45,179][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:13:49,625][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:13:49,630][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:13:54,169][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:13:54,175][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:13:58,617][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:13:58,623][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:14:03,111][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:14:03,116][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:14:07,640][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:14:07,647][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:14:12,129][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:14:12,134][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:14:16,579][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:14:16,589][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:14:21,118][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:14:21,124][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:14:25,598][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:14:25,604][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:14:30,039][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:14:30,046][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:14:34,601][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:14:34,606][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:14:39,044][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:14:39,050][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:14:43,502][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:14:43,513][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:14:48,042][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:14:48,048][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:14:52,541][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:14:52,549][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:14:57,065][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:14:57,071][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:15:01,566][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:15:01,573][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:15:06,054][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:15:06,061][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:15:10,565][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:15:10,571][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:15:15,058][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:15:15,063][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:15:19,518][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:15:19,524][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:15:24,033][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:15:24,040][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:15:28,535][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:15:28,545][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:15:33,059][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:15:33,066][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:15:37,575][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:15:37,580][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:15:42,014][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:15:42,019][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:15:46,471][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:15:46,477][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:15:50,966][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:15:50,971][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:15:55,398][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:15:55,406][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:15:59,896][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:15:59,901][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:16:04,497][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:16:04,504][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:16:09,045][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:16:09,050][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:16:13,523][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:16:13,529][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:16:18,057][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:16:18,062][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:16:22,516][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:16:22,522][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:16:26,959][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:16:26,965][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:16:31,471][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:16:31,477][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:16:35,944][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:16:35,950][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:16:40,420][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:16:40,426][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:16:44,947][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:16:44,953][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:16:49,400][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:16:49,406][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:16:53,863][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:16:53,873][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:16:58,390][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:16:58,396][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:17:02,863][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:17:02,869][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:17:07,318][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:17:07,325][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:17:20,385][__main__][INFO] - Finished design in 3.89 minutes +[2024-04-16 16:17:20,386][__main__][INFO] - Making design testoutputs/binder_test_6 +[2024-04-16 16:17:20,413][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A24-226/0 100-100'] +[2024-04-16 16:17:20,462][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:17:25,314][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:17:25,320][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:17:29,786][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:17:29,796][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:17:34,246][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:17:34,251][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:17:38,798][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:17:38,803][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:17:43,226][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:17:43,232][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:17:47,714][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:17:47,720][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:17:52,192][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:17:52,199][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:17:56,646][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:17:56,655][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:18:01,108][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:18:01,115][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:18:05,642][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:18:05,648][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:18:10,140][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:18:10,149][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:18:14,622][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:18:14,628][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:18:19,132][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:18:19,138][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:18:23,605][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:18:23,611][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:18:28,061][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:18:28,066][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:18:32,601][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:18:32,607][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:18:37,075][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:18:37,082][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:18:41,529][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:18:41,536][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:18:46,057][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:18:46,064][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:18:50,560][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:18:50,567][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:18:55,070][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:18:55,077][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:18:59,581][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:18:59,587][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:19:04,010][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:19:04,015][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:19:08,487][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:19:08,493][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:19:13,063][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:19:13,068][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:19:17,557][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:19:17,563][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:19:22,089][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:19:22,097][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:19:26,593][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:19:26,598][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:19:31,105][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:19:31,112][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:19:35,615][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:19:35,621][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:19:40,094][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:19:40,100][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:19:44,565][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:19:44,570][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:19:49,060][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:19:49,065][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:19:53,528][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:19:53,533][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:19:57,999][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:19:58,005][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:20:02,562][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:20:02,567][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:20:07,011][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:20:07,016][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:20:11,472][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:20:11,477][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:20:15,936][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:20:15,947][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:20:20,425][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:20:20,431][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:20:24,875][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:20:24,881][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:20:29,339][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:20:29,345][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:20:33,822][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:20:33,828][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:20:38,271][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:20:38,278][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:20:42,789][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:20:42,795][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:20:47,266][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:20:47,271][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:20:51,722][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:20:51,728][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:20:56,195][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:20:56,200][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:21:00,682][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:21:00,690][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:21:13,633][__main__][INFO] - Finished design in 3.89 minutes +[2024-04-16 16:21:13,633][__main__][INFO] - Making design testoutputs/binder_test_7 +[2024-04-16 16:21:13,655][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A24-226/0 100-100'] +[2024-04-16 16:21:13,721][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:21:18,431][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:21:18,436][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:21:22,883][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:21:22,890][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:21:27,462][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:21:27,469][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:21:31,910][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:21:31,916][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:21:36,423][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:21:36,428][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:21:40,930][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:21:40,936][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:21:45,388][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:21:45,395][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:21:49,872][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:21:49,878][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:21:54,365][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:21:54,372][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:21:58,802][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:21:58,807][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:22:03,289][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:22:03,296][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:22:07,753][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:22:07,763][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:22:12,272][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:22:12,279][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:22:16,785][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:22:16,790][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:22:21,257][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:22:21,267][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:22:25,728][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:22:25,734][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:22:30,244][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:22:30,250][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:22:34,782][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:22:34,788][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:22:39,292][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:22:39,299][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:22:43,864][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:22:43,870][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:22:48,380][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:22:48,389][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:22:52,867][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:22:52,874][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:22:57,441][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:22:57,448][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:23:01,908][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:23:01,917][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:23:06,575][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:23:06,580][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:23:11,092][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:23:11,098][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:23:15,552][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:23:15,558][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:23:20,023][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:23:20,029][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:23:24,560][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:23:24,565][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:23:29,017][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:23:29,022][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:23:33,488][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:23:33,494][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:23:38,015][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:23:38,022][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:23:42,488][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:23:42,494][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:23:46,974][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:23:46,980][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:23:51,516][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:23:51,521][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:23:55,962][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:23:55,967][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:24:00,427][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:24:00,432][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:24:04,901][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:24:04,907][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:24:09,366][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:24:09,373][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:24:13,898][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:24:13,905][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:24:18,373][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:24:18,380][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:24:22,837][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:24:22,843][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:24:27,336][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:24:27,342][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:24:31,841][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:24:31,846][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:24:36,297][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:24:36,302][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:24:40,784][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:24:40,789][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:24:45,277][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:24:45,283][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:24:49,738][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:24:49,745][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:24:54,184][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:24:54,189][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:25:07,351][__main__][INFO] - Finished design in 3.90 minutes +[2024-04-16 16:25:07,352][__main__][INFO] - Making design testoutputs/binder_test_8 +[2024-04-16 16:25:07,376][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A24-226/0 100-100'] +[2024-04-16 16:25:07,440][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:25:12,236][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:25:12,241][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:25:16,687][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:25:16,693][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:25:21,160][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:25:21,165][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:25:25,657][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:25:25,663][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:25:30,148][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:25:30,154][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:25:34,621][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:25:34,627][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:25:39,132][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:25:39,137][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:25:43,622][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:25:43,630][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:25:48,177][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:25:48,183][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:25:52,644][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:25:52,649][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:25:57,108][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:25:57,118][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:26:01,623][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:26:01,632][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:26:06,110][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:26:06,122][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:26:10,598][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:26:10,604][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:26:15,137][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:26:15,141][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:26:19,605][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:26:19,611][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:26:24,123][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:26:24,127][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:26:28,660][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:26:28,666][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:26:33,151][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:26:33,157][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:26:37,643][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:26:37,649][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:26:42,201][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:26:42,205][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:26:46,655][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:26:46,660][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:26:51,135][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:26:51,140][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:26:55,718][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:26:55,724][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:27:00,177][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:27:00,182][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:27:04,696][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:27:04,702][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:27:09,258][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:27:09,266][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:27:13,786][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:27:13,792][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:27:18,247][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:27:18,252][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:27:22,778][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:27:22,784][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:27:27,255][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:27:27,261][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:27:31,745][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:27:31,750][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:27:36,252][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:27:36,257][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:27:40,725][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:27:40,732][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:27:45,205][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:27:45,213][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:27:49,762][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:27:49,767][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:27:54,225][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:27:54,231][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:27:58,713][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:27:58,719][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:28:03,249][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:28:03,255][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:28:07,720][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:28:07,726][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:28:12,208][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:28:12,213][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:28:16,710][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:28:16,716][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:28:21,167][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:28:21,174][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:28:25,680][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:28:25,687][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:28:30,142][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:28:30,148][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:28:34,593][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:28:34,599][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:28:39,074][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:28:39,082][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:28:43,560][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:28:43,565][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:28:48,006][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:28:48,012][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:29:01,041][__main__][INFO] - Finished design in 3.89 minutes +[2024-04-16 16:29:01,042][__main__][INFO] - Making design testoutputs/binder_test_9 +[2024-04-16 16:29:01,068][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A24-226/0 100-100'] +[2024-04-16 16:29:01,137][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:29:05,975][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:29:05,983][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:29:10,464][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:29:10,469][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:29:14,900][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:29:14,905][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:29:19,359][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:29:19,365][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:29:23,848][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:29:23,854][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:29:28,349][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:29:28,356][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:29:32,816][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:29:32,820][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:29:37,286][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:29:37,293][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:29:41,771][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:29:41,776][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:29:46,309][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:29:46,315][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:29:50,777][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:29:50,782][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:29:55,219][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:29:55,225][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:29:59,736][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:29:59,741][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:30:04,192][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:30:04,198][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:30:08,671][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:30:08,676][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:30:13,203][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:30:13,208][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:30:17,693][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:30:17,699][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:30:22,170][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:30:22,175][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:30:26,689][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:30:26,694][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:30:31,157][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:30:31,162][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:30:35,646][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:30:35,652][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:30:40,208][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:30:40,214][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:30:44,645][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:30:44,651][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:30:49,124][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:30:49,129][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:30:53,697][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:30:53,702][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:30:58,158][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:30:58,164][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:31:02,631][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:31:02,638][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:31:07,183][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:31:07,187][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:31:11,654][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:31:11,659][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:31:16,101][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:31:16,106][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:31:20,656][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:31:20,662][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:31:25,119][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:31:25,124][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:31:29,573][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:31:29,579][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:31:34,076][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:31:34,082][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:31:38,521][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:31:38,527][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:31:42,983][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:31:42,988][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:31:47,516][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:31:47,521][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:31:51,945][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:31:51,951][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:31:56,432][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:31:56,437][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:32:00,927][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:32:00,933][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:32:05,371][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:32:05,377][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:32:09,813][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:32:09,820][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:32:14,300][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:32:14,306][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:32:18,749][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:32:18,755][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:32:23,221][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:32:23,227][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:32:27,735][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:32:27,741][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:32:32,192][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:32:32,198][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:32:36,640][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:32:36,645][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:32:41,133][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:32:41,138][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:32:54,251][__main__][INFO] - Finished design in 3.89 minutes +[2024-04-16 16:32:54,251][__main__][INFO] - Making design testoutputs/binder_test_10 +[2024-04-16 16:32:54,272][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A24-226/0 100-100'] +[2024-04-16 16:32:54,336][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:32:59,007][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:32:59,012][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:33:03,469][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:33:03,475][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:33:07,977][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:33:07,983][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:33:12,442][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:33:12,449][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:33:16,918][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:33:16,923][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:33:21,420][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:33:21,426][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:33:25,879][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:33:25,885][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:33:30,339][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:33:30,344][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:33:34,868][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:33:34,874][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:33:39,339][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:33:39,345][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:33:43,795][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:33:43,801][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:33:48,319][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:33:48,324][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:33:52,818][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:33:52,824][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:33:57,291][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:33:57,296][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:34:01,813][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:34:01,818][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:34:06,290][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:34:06,296][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:34:10,754][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:34:10,760][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:34:15,309][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:34:15,314][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:34:19,780][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:34:19,785][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:34:24,299][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:34:24,307][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:34:28,828][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:34:28,834][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:34:33,323][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:34:33,329][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:34:37,821][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:34:37,827][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:34:42,361][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:34:42,366][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:34:46,826][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:34:46,830][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:34:51,353][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:34:51,368][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:34:55,843][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:34:55,849][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:35:00,328][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:35:00,334][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:35:04,865][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:35:04,870][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:35:09,350][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:35:09,357][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:35:13,820][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:35:13,826][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:35:18,361][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:35:18,366][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:35:22,818][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:35:22,825][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:35:27,277][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:35:27,284][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:35:31,800][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:35:31,805][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:35:36,265][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:35:36,270][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:35:40,750][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:35:40,755][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:35:45,287][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:35:45,294][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:35:49,787][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:35:49,791][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:35:54,230][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:35:54,235][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:35:58,744][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:35:58,749][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:36:03,181][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:36:03,186][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:36:07,652][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:36:07,658][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:36:12,171][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:36:12,176][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:36:16,623][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:36:16,629][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:36:21,076][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:36:21,081][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:36:25,597][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:36:25,604][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:36:30,052][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:36:30,058][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:36:34,508][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:36:34,513][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:36:47,834][__main__][INFO] - Finished design in 3.89 minutes +[2024-04-16 16:36:47,835][__main__][INFO] - Making design testoutputs/binder_test_11 +[2024-04-16 16:36:47,860][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A24-226/0 100-100'] +[2024-04-16 16:36:47,931][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:36:52,796][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:36:52,801][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:36:57,249][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:36:57,254][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:37:01,715][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:37:01,720][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:37:06,234][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:37:06,239][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:37:10,669][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:37:10,674][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:37:15,116][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:37:15,122][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:37:19,652][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:37:19,657][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:37:24,142][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:37:24,147][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:37:28,580][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:37:28,586][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:37:33,136][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:37:33,140][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:37:37,594][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:37:37,600][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:37:42,127][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:37:42,135][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:37:46,665][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:37:46,673][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:37:51,170][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:37:51,174][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:37:55,737][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:37:55,743][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:38:00,210][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:38:00,218][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:38:04,700][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:38:04,707][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:38:09,263][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:38:09,268][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:38:13,730][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:38:13,736][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:38:18,227][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:38:18,234][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:38:22,770][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:38:22,776][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:38:27,222][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:38:27,227][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:38:31,697][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:38:31,703][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:38:36,225][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:38:36,231][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:38:40,694][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:38:40,700][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:38:45,160][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:38:45,164][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:38:49,698][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:38:49,703][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:38:54,179][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:38:54,185][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:38:58,706][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:38:58,712][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:39:03,273][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:39:03,280][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:39:07,755][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:39:07,761][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:39:12,207][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:39:12,212][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:39:16,731][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:39:16,737][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:39:21,192][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:39:21,198][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:39:25,647][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:39:25,653][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:39:30,183][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:39:30,188][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:39:34,651][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:39:34,656][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:39:39,104][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:39:39,109][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:39:43,614][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:39:43,620][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:39:48,140][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:39:48,147][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:39:52,604][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:39:52,609][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:39:57,147][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:39:57,153][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:40:01,618][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:40:01,624][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:40:06,113][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:40:06,121][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:40:10,671][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:40:10,676][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:40:15,137][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:40:15,142][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:40:19,580][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:40:19,585][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:40:24,063][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:40:24,070][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:40:28,519][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:40:28,524][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:40:41,642][__main__][INFO] - Finished design in 3.90 minutes +[2024-04-16 16:40:41,642][__main__][INFO] - Making design testoutputs/binder_test_12 +[2024-04-16 16:40:41,664][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A24-226/0 100-100'] +[2024-04-16 16:40:41,731][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:40:46,556][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:40:46,562][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:40:51,034][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:40:51,040][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:40:55,498][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:40:55,504][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:40:59,990][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:40:59,996][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:41:04,484][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:41:04,489][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:41:08,986][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:41:08,992][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:41:13,469][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:41:13,475][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:41:17,954][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:41:17,959][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:41:22,428][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:41:22,434][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:41:26,902][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:41:26,910][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:41:31,399][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:41:31,407][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:41:35,873][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:41:35,879][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:41:40,364][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:41:40,371][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:41:44,829][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:41:44,835][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:41:49,326][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:41:49,331][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:41:53,835][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:41:53,842][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:41:58,395][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:41:58,402][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:42:02,853][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:42:02,859][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:42:07,369][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:42:07,375][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:42:11,877][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:42:11,883][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:42:16,364][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:42:16,370][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:42:20,900][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:42:20,905][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:42:25,360][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:42:25,366][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:42:29,849][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:42:29,855][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:42:34,405][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:42:34,410][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:42:38,889][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:42:38,895][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:42:43,376][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:42:43,381][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:42:47,916][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:42:47,921][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:42:52,368][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:42:52,374][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:42:56,843][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:42:56,849][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:43:01,382][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:43:01,387][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:43:05,831][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:43:05,838][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:43:10,310][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:43:10,315][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:43:14,846][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:43:14,852][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:43:19,334][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:43:19,339][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:43:23,783][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:43:23,790][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:43:28,296][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:43:28,302][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:43:32,728][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:43:32,733][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:43:37,180][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:43:37,186][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:43:41,685][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:43:41,691][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:43:46,176][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:43:46,181][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:43:50,629][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:43:50,636][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:43:55,183][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:43:55,188][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:43:59,650][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:43:59,656][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:44:04,128][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:44:04,136][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:44:08,628][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:44:08,635][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:44:13,073][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:44:13,079][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:44:17,518][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:44:17,524][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:44:22,035][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:44:22,040][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:44:35,245][__main__][INFO] - Finished design in 3.89 minutes +[2024-04-16 16:44:35,246][__main__][INFO] - Making design testoutputs/binder_test_13 +[2024-04-16 16:44:35,276][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A24-226/0 100-100'] +[2024-04-16 16:44:35,347][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:44:40,027][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:44:40,031][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:44:44,490][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:44:44,498][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:44:49,024][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:44:49,031][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:44:53,493][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:44:53,499][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:44:57,970][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:44:57,975][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:45:02,503][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:45:02,509][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:45:06,981][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:45:06,987][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:45:11,414][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:45:11,421][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:45:15,941][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:45:15,947][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:45:20,433][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:45:20,438][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:45:24,945][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:45:24,949][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:45:29,445][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:45:29,451][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:45:33,891][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:45:33,897][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:45:38,423][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:45:38,428][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:45:42,919][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:45:42,924][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:45:47,385][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:45:47,390][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:45:51,893][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:45:51,899][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:45:56,369][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:45:56,374][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:46:00,874][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:46:00,880][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:46:05,336][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:46:05,341][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:46:09,849][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:46:09,855][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:46:14,321][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:46:14,327][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:46:18,890][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:46:18,895][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:46:23,329][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:46:23,336][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:46:27,796][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:46:27,803][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:46:32,301][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:46:32,306][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:46:36,794][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:46:36,800][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:46:41,248][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:46:41,255][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:46:45,782][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:46:45,789][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:46:50,273][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:46:50,278][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:46:54,780][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:46:54,783][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:46:59,271][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:46:59,278][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:47:03,753][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:47:03,759][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:47:08,196][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:47:08,201][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:47:12,716][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:47:12,724][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:47:17,176][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:47:17,182][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:47:21,664][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:47:21,670][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:47:26,188][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:47:26,193][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:47:30,643][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:47:30,649][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:47:35,122][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:47:35,127][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:47:39,646][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:47:39,651][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:47:44,114][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:47:44,122][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:47:48,635][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:47:48,640][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:47:53,170][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:47:53,176][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:47:57,628][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:47:57,633][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:48:02,078][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:48:02,083][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:48:06,592][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:48:06,597][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:48:11,048][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:48:11,055][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:48:15,492][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:48:15,498][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:48:28,457][__main__][INFO] - Finished design in 3.89 minutes +[2024-04-16 16:48:28,457][__main__][INFO] - Making design testoutputs/binder_test_14 +[2024-04-16 16:48:28,479][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A24-226/0 100-100'] +[2024-04-16 16:48:28,540][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:48:33,400][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:48:33,405][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:48:37,845][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:48:37,850][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:48:42,312][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:48:42,317][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:48:46,826][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:48:46,832][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:48:51,322][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:48:51,329][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:48:55,800][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:48:55,806][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:49:00,358][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:49:00,365][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:49:04,859][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:49:04,865][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:49:09,350][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:49:09,355][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:49:13,875][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:49:13,880][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:49:18,373][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:49:18,379][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:49:22,852][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:49:22,857][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:49:27,374][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:49:27,381][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:49:31,877][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:49:31,883][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:49:36,391][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:49:36,397][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:49:40,916][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:49:40,922][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:49:45,373][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:49:45,380][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:49:49,877][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:49:49,883][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:49:54,462][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:49:54,467][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:49:58,953][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:49:58,958][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:50:03,470][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:50:03,474][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:50:07,985][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:50:07,991][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:50:12,478][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:50:12,482][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:50:17,002][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:50:17,008][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:50:21,473][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:50:21,479][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:50:25,920][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:50:25,926][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:50:30,440][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:50:30,446][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:50:34,918][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:50:34,924][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:50:39,412][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:50:39,418][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:50:43,947][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:50:43,954][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:50:48,391][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:50:48,396][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:50:52,849][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:50:52,855][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:50:57,352][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:50:57,361][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:51:01,844][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:51:01,850][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:51:06,317][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:51:06,326][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:51:10,844][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:51:10,849][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:51:15,330][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:51:15,335][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:51:19,820][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:51:19,824][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:51:24,355][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:51:24,360][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:51:28,800][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:51:28,805][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:51:33,255][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:51:33,261][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:51:37,790][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:51:37,794][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:51:42,240][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:51:42,245][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:51:46,746][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:51:46,751][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:51:51,258][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:51:51,265][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:51:55,725][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:51:55,729][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:52:00,178][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:52:00,184][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:52:04,704][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:52:04,710][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:52:09,189][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:52:09,196][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:52:22,350][__main__][INFO] - Finished design in 3.90 minutes +[2024-04-16 16:52:22,350][__main__][INFO] - Making design testoutputs/binder_test_15 +[2024-04-16 16:52:22,374][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A24-226/0 100-100'] +[2024-04-16 16:52:22,433][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:52:27,262][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:52:27,269][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:52:31,759][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:52:31,762][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:52:36,212][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:52:36,216][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:52:40,678][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:52:40,684][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:52:45,222][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:52:45,228][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:52:49,707][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:52:49,713][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:52:54,178][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:52:54,183][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:52:58,713][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:52:58,720][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:53:03,200][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:53:03,206][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:53:07,644][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:53:07,648][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:53:12,173][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:53:12,179][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:53:16,666][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:53:16,673][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:53:21,175][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:53:21,181][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:53:25,671][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:53:25,676][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:53:30,156][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:53:30,163][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:53:34,665][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:53:34,670][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:53:39,172][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:53:39,178][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:53:43,658][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:53:43,664][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:53:48,869][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:53:48,874][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:53:53,850][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:53:53,858][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:53:58,777][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:53:58,783][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:54:03,572][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:54:03,578][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:54:08,422][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:54:08,428][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:54:13,420][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:54:13,426][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:54:18,594][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:54:18,598][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:54:23,747][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:54:23,752][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:54:28,884][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:54:28,890][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:54:33,863][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:54:33,869][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:54:38,922][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:54:38,927][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:54:43,898][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:54:43,905][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:54:49,007][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:54:49,012][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:54:53,960][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:54:53,966][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:54:59,033][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:54:59,043][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:55:04,027][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:55:04,032][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:55:09,077][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:55:09,082][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:55:14,054][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:55:14,060][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:55:19,133][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:55:19,141][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:55:24,111][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:55:24,117][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:55:29,188][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:55:29,193][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:55:34,151][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:55:34,156][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:55:39,219][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:55:39,226][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:55:44,200][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:55:44,207][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:55:49,248][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:55:49,253][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:55:54,241][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:55:54,247][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:55:59,291][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:55:59,297][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:56:04,266][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:56:04,271][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:56:09,296][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:56:09,300][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:56:14,267][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:56:14,271][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:56:19,326][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:56:19,332][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:56:33,093][__main__][INFO] - Finished design in 4.18 minutes +[2024-04-16 16:56:33,093][__main__][INFO] - Making design testoutputs/binder_test_16 +[2024-04-16 16:56:33,120][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A24-226/0 100-100'] +[2024-04-16 16:56:33,186][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:56:37,950][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:56:37,955][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:56:42,414][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:56:42,421][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:56:46,891][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:56:46,898][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:56:51,344][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:56:51,349][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:56:55,827][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:56:55,833][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:57:00,281][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:57:00,289][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:57:04,700][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:57:04,707][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:57:09,148][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:57:09,153][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:57:13,606][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:57:13,611][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:57:18,064][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:57:18,070][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:57:22,524][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:57:22,531][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:57:26,968][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:57:26,973][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:57:31,400][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:57:31,408][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:57:35,880][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:57:35,887][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:57:40,365][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:57:40,371][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:57:44,789][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:57:44,794][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:57:49,218][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:57:49,225][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:57:53,719][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:57:53,727][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:57:58,166][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:57:58,171][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:58:02,642][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:58:02,648][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:58:07,154][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:58:07,160][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:58:11,588][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:58:11,594][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:58:16,029][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:58:16,053][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:58:20,563][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:58:20,569][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:58:25,004][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:58:25,010][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:58:29,436][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:58:29,443][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:58:33,964][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:58:33,969][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:58:38,371][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:58:38,380][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:58:42,842][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:58:42,848][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:58:47,360][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:58:47,365][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:58:51,843][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:58:51,850][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:58:56,284][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:58:56,290][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:59:00,781][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:59:00,788][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:59:05,280][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:59:05,287][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:59:09,744][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:59:09,750][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:59:14,267][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:59:14,274][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:59:18,672][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:59:18,676][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:59:23,082][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:59:23,088][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:59:27,570][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:59:27,575][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:59:31,966][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:59:31,971][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:59:36,386][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:59:36,393][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:59:40,884][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:59:40,890][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:59:45,304][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:59:45,312][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:59:49,768][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:59:49,773][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:59:54,321][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 16:59:54,326][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 16:59:58,798][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 16:59:58,803][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:00:03,275][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:00:03,279][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:00:07,811][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:00:07,817][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:00:12,251][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:00:12,257][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:00:25,453][__main__][INFO] - Finished design in 3.87 minutes +[2024-04-16 17:00:25,454][__main__][INFO] - Making design testoutputs/binder_test_17 +[2024-04-16 17:00:25,479][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A24-226/0 100-100'] +[2024-04-16 17:00:25,544][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:00:30,344][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:00:30,355][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:00:34,862][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:00:34,867][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:00:39,341][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:00:39,347][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:00:43,860][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:00:43,867][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:00:48,353][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:00:48,357][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:00:52,811][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:00:52,817][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:00:57,311][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:00:57,316][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:01:01,858][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:01:01,863][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:01:06,300][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:01:06,305][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:01:10,783][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:01:10,793][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:01:15,299][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:01:15,309][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:01:19,811][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:01:19,818][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:01:24,365][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:01:24,372][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:01:28,848][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:01:28,854][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:01:33,330][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:01:33,334][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:01:37,838][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:01:37,843][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:01:42,310][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:01:42,318][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:01:46,784][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:01:46,790][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:01:51,328][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:01:51,334][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:01:55,819][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:01:55,829][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:02:00,327][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:02:00,332][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:02:04,836][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:02:04,840][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:02:09,304][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:02:09,308][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:02:13,791][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:02:13,796][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:02:18,334][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:02:18,338][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:02:22,804][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:02:22,810][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:02:27,290][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:02:27,298][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:02:31,839][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:02:31,845][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:02:36,317][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:02:36,324][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:02:40,780][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:02:40,785][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:02:45,320][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:02:45,327][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:02:49,816][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:02:49,822][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:02:54,293][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:02:54,299][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:02:58,836][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:02:58,843][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:03:03,299][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:03:03,306][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:03:07,775][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:03:07,780][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:03:12,297][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:03:12,303][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:03:16,761][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:03:16,768][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:03:21,237][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:03:21,244][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:03:25,766][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:03:25,770][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:03:30,207][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:03:30,213][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:03:34,652][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:03:34,659][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:03:39,172][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:03:39,183][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:03:43,664][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:03:43,670][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:03:48,117][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:03:48,123][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:03:52,656][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:03:52,663][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:03:57,109][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:03:57,114][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:04:01,583][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:04:01,589][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:04:06,118][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:04:06,123][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:04:19,343][__main__][INFO] - Finished design in 3.90 minutes +[2024-04-16 17:04:19,343][__main__][INFO] - Making design testoutputs/binder_test_18 +[2024-04-16 17:04:19,376][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A24-226/0 100-100'] +[2024-04-16 17:04:19,444][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:04:24,422][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:04:24,427][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:04:30,045][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:04:30,050][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:04:35,000][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:04:35,006][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:04:39,493][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:04:39,499][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:04:43,887][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:04:43,894][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:04:48,317][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:04:48,322][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:04:52,813][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:04:52,818][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:04:57,286][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:04:57,291][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:05:01,759][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:05:01,765][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:05:06,271][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:05:06,276][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:05:10,709][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:05:10,714][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:05:15,152][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:05:15,157][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:05:19,702][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:05:19,707][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:05:24,139][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:05:24,145][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:05:28,564][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:05:28,570][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:05:33,071][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:05:33,076][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:05:37,533][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:05:37,539][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:05:42,005][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:05:42,011][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:05:46,517][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:05:46,522][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:05:50,939][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:05:50,945][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:05:55,390][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:05:55,396][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:05:59,875][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:05:59,880][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:06:04,308][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:06:04,313][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:06:08,760][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:06:08,765][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:06:13,263][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:06:13,269][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:06:17,719][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:06:17,725][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:06:22,179][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:06:22,184][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:06:26,703][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:06:26,709][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:06:31,155][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:06:31,161][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:06:35,595][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:06:35,603][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:06:40,155][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:06:40,163][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:06:44,595][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:06:44,602][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:06:49,036][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:06:49,041][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:06:53,527][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:06:53,534][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:06:57,986][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:06:57,991][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:07:02,437][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:07:02,442][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:07:06,933][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:07:06,938][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:07:11,356][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:07:11,363][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:07:15,780][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:07:15,786][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:07:20,264][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:07:20,270][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:07:24,696][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:07:24,703][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:07:29,149][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:07:29,155][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:07:33,646][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:07:33,651][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:07:38,063][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:07:38,068][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:07:42,501][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:07:42,506][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:07:47,033][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:07:47,039][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:07:51,443][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:07:51,449][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:07:55,898][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:07:55,903][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:08:00,398][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:08:00,402][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:08:13,305][__main__][INFO] - Finished design in 3.90 minutes +[2024-04-16 17:08:13,306][__main__][INFO] - Making design testoutputs/binder_test_19 +[2024-04-16 17:08:13,331][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A24-226/0 100-100'] +[2024-04-16 17:08:13,395][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:08:18,136][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:08:18,141][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:08:22,570][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:08:22,575][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:08:27,024][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:08:27,031][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:08:31,427][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:08:31,432][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:08:35,889][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:08:35,895][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:08:40,444][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:08:40,451][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:08:44,867][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:08:44,873][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:08:49,299][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:08:49,304][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:08:53,766][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:08:53,769][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:08:58,227][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:08:58,232][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:09:02,710][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:09:02,717][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:09:07,204][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:09:07,211][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:09:11,625][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:09:11,632][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:09:16,074][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:09:16,081][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:09:20,552][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:09:20,557][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:09:24,994][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:09:24,999][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:09:29,429][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:09:29,436][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:09:33,885][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:09:33,890][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:09:38,358][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:09:38,364][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:09:42,830][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:09:42,837][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:09:47,292][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:09:47,299][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:09:51,764][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:09:51,771][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:09:56,231][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:09:56,237][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:10:00,723][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:10:00,729][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:10:05,145][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:10:05,151][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:10:09,610][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:10:09,617][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:10:14,074][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:10:14,080][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:10:18,503][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:10:18,509][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:10:22,917][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:10:22,921][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:10:27,310][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:10:27,316][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:10:31,787][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:10:31,793][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:10:36,198][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:10:36,205][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:10:40,670][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:10:40,676][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:10:45,179][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:10:45,184][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:10:49,659][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:10:49,664][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:10:54,084][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:10:54,090][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:10:58,580][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:10:58,586][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:11:03,021][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:11:03,027][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:11:07,456][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:11:07,463][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:11:11,945][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:11:11,951][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:11:16,362][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:11:16,367][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:11:20,803][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:11:20,808][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:11:25,253][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:11:25,258][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:11:29,652][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:11:29,659][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:11:34,068][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:11:34,074][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:11:38,564][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:11:38,572][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:11:43,001][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:11:43,006][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:11:47,440][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:11:47,445][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:11:51,933][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:11:51,940][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:12:04,919][__main__][INFO] - Finished design in 3.86 minutes +[2024-04-16 17:12:04,920][__main__][INFO] - Making design testoutputs/binder_test_20 +[2024-04-16 17:12:04,943][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A24-226/0 100-100'] +[2024-04-16 17:12:05,006][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:12:09,693][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:12:09,699][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:12:14,147][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:12:14,154][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:12:18,647][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:12:18,652][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:12:23,040][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:12:23,047][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:12:27,469][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:12:27,474][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:12:31,961][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:12:31,966][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:12:36,379][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:12:36,384][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:12:40,825][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:12:40,832][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:12:45,340][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:12:45,346][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:12:49,797][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:12:49,803][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:12:54,235][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:12:54,241][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:12:58,766][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:12:58,772][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:13:03,225][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:13:03,230][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:13:07,660][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:13:07,666][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:13:12,187][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:13:12,191][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:13:16,632][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:13:16,638][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:13:21,072][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:13:21,077][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:13:25,565][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:13:25,569][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:13:29,971][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:13:29,977][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:13:34,427][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:13:34,440][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:13:38,933][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:13:38,939][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:13:43,363][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:13:43,369][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:13:47,809][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:13:47,816][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:13:52,295][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:13:52,300][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:13:56,710][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:13:56,715][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:14:01,158][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:14:01,164][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:14:05,679][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:14:05,685][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:14:10,127][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:14:10,133][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:14:14,578][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:14:14,583][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:14:19,119][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:14:19,124][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:14:23,516][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:14:23,521][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:14:27,957][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:14:27,962][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:14:32,422][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:14:32,427][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:14:36,840][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:14:36,846][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:14:41,267][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:14:41,272][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:14:45,754][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:14:45,761][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:14:50,204][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:14:50,210][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:14:54,622][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:14:54,627][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:14:59,124][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:14:59,129][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:15:03,558][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:15:03,564][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:15:07,985][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:15:07,990][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:15:12,486][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:15:12,493][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:15:16,926][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:15:16,931][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:15:21,371][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:15:21,376][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:15:25,832][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:15:25,837][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:15:30,278][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:15:30,284][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:15:34,700][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:15:34,706][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:15:39,175][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:15:39,180][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:15:43,612][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:15:43,616][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:15:56,563][__main__][INFO] - Finished design in 3.86 minutes +[2024-04-16 17:15:56,564][__main__][INFO] - Making design testoutputs/binder_test_21 +[2024-04-16 17:15:56,591][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A24-226/0 100-100'] +[2024-04-16 17:15:56,654][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:16:01,548][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:16:01,558][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:16:06,726][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:16:06,732][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:16:11,219][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:16:11,225][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:16:15,623][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:16:15,630][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:16:20,164][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:16:20,170][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:16:24,611][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:16:24,619][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:16:29,054][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:16:29,059][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:16:33,547][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:16:33,552][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:16:37,962][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:16:37,967][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:16:42,382][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:16:42,388][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:16:46,873][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:16:46,881][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:16:51,332][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:16:51,339][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:16:55,765][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:16:55,770][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:17:00,255][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:17:00,260][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:17:04,699][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:17:04,704][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:17:09,221][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:17:09,225][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:17:14,142][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:17:14,150][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:17:18,602][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:17:18,609][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:17:23,131][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:17:23,137][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:17:27,607][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:17:27,614][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:17:32,049][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:17:32,055][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:17:36,521][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:17:36,527][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:17:40,978][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:17:40,984][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:17:45,438][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:17:45,442][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:17:50,441][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:17:50,449][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:17:54,882][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:17:54,887][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:17:59,348][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:17:59,353][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:18:03,856][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:18:03,860][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:18:08,299][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:18:08,304][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:18:12,739][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:18:12,745][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:18:17,262][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:18:17,267][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:18:21,718][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:18:21,723][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:18:26,143][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:18:26,148][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:18:30,655][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:18:30,661][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:18:35,067][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:18:35,072][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:18:39,485][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:18:39,492][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:18:44,371][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:18:44,376][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:18:48,807][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:18:48,813][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:18:53,253][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:18:53,260][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:18:57,767][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:18:57,772][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:19:02,220][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:19:02,226][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:19:06,685][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:19:06,691][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:19:11,183][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:19:11,189][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:19:15,626][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:19:15,632][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:19:20,052][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:19:20,058][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:19:24,519][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:19:24,525][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:19:28,945][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:19:28,950][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:19:33,346][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:19:33,351][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:19:37,853][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:19:37,858][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:19:51,016][__main__][INFO] - Finished design in 3.91 minutes +[2024-04-16 17:19:51,017][__main__][INFO] - Making design testoutputs/binder_test_22 +[2024-04-16 17:19:51,043][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A24-226/0 100-100'] +[2024-04-16 17:19:51,102][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:19:55,741][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:19:55,746][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:20:00,169][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:20:00,173][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:20:04,674][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:20:04,679][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:20:09,111][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:20:09,118][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:20:13,546][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:20:13,553][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:20:18,044][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:20:18,049][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:20:22,499][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:20:22,505][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:20:27,055][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:20:27,060][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:20:31,573][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:20:31,580][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:20:35,975][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:20:35,980][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:20:40,437][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:20:40,443][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:20:44,914][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:20:44,919][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:20:49,371][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:20:49,376][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:20:53,812][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:20:53,818][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:20:58,340][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:20:58,346][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:21:02,987][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:21:02,994][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:21:07,424][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:21:07,430][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:21:11,950][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:21:11,955][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:21:16,400][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:21:16,406][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:21:20,834][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:21:20,840][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:21:25,325][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:21:25,330][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:21:29,793][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:21:29,798][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:21:34,248][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:21:34,254][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:21:38,774][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:21:38,784][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:21:43,229][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:21:43,233][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:21:47,688][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:21:47,693][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:21:52,193][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:21:52,200][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:21:56,632][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:21:56,637][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:22:01,114][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:22:01,121][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:22:06,060][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:22:06,067][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:22:10,519][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:22:10,525][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:22:15,021][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:22:15,029][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:22:19,467][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:22:19,474][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:22:23,887][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:22:23,893][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:22:28,346][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:22:28,352][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:22:32,792][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:22:32,799][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:22:37,261][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:22:37,268][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:22:41,688][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:22:41,692][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:22:46,122][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:22:46,128][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:22:50,569][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:22:50,576][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:22:55,071][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:22:55,078][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:22:59,537][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:22:59,544][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:23:03,984][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:23:03,989][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:23:08,411][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:23:08,418][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:23:12,909][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:23:12,914][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:23:17,329][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:23:17,334][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:23:21,768][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:23:21,773][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:23:26,253][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:23:26,260][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:23:30,707][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:23:30,712][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:23:44,047][__main__][INFO] - Finished design in 3.88 minutes +[2024-04-16 17:23:44,047][__main__][INFO] - Making design testoutputs/binder_test_23 +[2024-04-16 17:23:44,069][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A24-226/0 100-100'] +[2024-04-16 17:23:44,128][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:23:48,907][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:23:48,912][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:23:53,320][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:23:53,326][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:23:57,788][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:23:57,794][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:24:02,306][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:24:02,312][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:24:08,332][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:24:08,337][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:24:12,943][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:24:12,950][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:24:17,649][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:24:17,654][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:24:22,305][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:24:22,312][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:24:27,000][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:24:27,005][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:24:33,215][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:24:33,221][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:24:38,281][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:24:38,288][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:24:43,756][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:24:43,762][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:24:48,247][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:24:48,253][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:24:52,871][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:24:52,877][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:24:58,220][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:24:58,226][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:25:03,074][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:25:03,080][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:25:07,708][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:25:07,713][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:25:12,159][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:25:12,164][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:25:16,689][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:25:16,694][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:25:21,363][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:25:21,368][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:25:26,549][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:25:26,554][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:25:31,063][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:25:31,069][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:25:35,649][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:25:35,653][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:25:40,205][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:25:40,211][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:25:44,680][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:25:44,685][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:25:49,594][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:25:49,599][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:25:54,119][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:25:54,125][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:25:58,639][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:25:58,645][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:26:04,051][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:26:04,061][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:26:10,131][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:26:10,139][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:26:14,964][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:26:14,971][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:26:20,180][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:26:20,187][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:26:24,675][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:26:24,682][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:26:29,740][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:26:29,747][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:26:34,761][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:26:34,768][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:26:39,199][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:26:39,203][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:26:43,703][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:26:43,712][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:26:48,168][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:26:48,174][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:26:52,580][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:26:52,586][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:26:57,065][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:26:57,071][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:27:01,514][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:27:01,521][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:27:05,973][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:27:05,980][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:27:10,722][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:27:10,729][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:27:15,185][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:27:15,190][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:27:19,657][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:27:19,663][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:27:24,116][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:27:24,123][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:27:28,579][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:27:28,585][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:27:33,025][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:27:33,030][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:27:37,488][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:27:37,494][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:27:50,726][__main__][INFO] - Finished design in 4.11 minutes +[2024-04-16 17:27:50,727][__main__][INFO] - Making design testoutputs/binder_test_24 +[2024-04-16 17:27:50,747][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A24-226/0 100-100'] +[2024-04-16 17:27:50,806][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:27:55,428][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:27:55,434][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:27:59,902][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:27:59,908][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:28:04,399][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:28:04,404][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:28:08,828][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:28:08,833][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:28:13,269][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:28:13,275][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:28:17,753][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:28:17,758][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:28:22,201][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:28:22,207][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:28:26,717][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:28:26,721][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:28:31,175][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:28:31,182][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:28:35,656][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:28:35,662][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:28:40,123][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:28:40,132][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:28:44,581][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:28:44,587][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:28:49,037][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:28:49,043][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:28:53,504][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:28:53,509][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:28:57,978][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:28:57,983][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:29:02,426][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:29:02,431][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:29:06,892][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:29:06,896][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:29:11,401][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:29:11,406][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:29:15,837][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:29:15,842][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:29:20,328][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:29:20,337][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:29:24,837][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:29:24,847][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:29:29,303][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:29:29,308][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:29:33,762][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:29:33,767][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:29:38,240][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:29:38,245][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:29:42,892][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:29:42,899][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:29:47,453][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:29:47,464][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:29:51,949][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:29:51,954][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:29:56,354][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:29:56,360][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:30:00,858][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:30:00,865][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:30:05,318][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:30:05,328][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:30:09,745][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:30:09,751][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:30:14,248][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:30:14,253][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:30:18,678][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:30:18,686][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:30:23,119][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:30:23,125][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:30:27,552][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:30:27,557][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:30:31,999][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:30:32,004][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:30:36,953][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:30:36,959][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:30:41,836][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:30:41,841][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:30:46,253][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:30:46,259][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:30:50,723][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:30:50,729][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:30:55,246][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:30:55,255][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:30:59,697][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:30:59,703][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:31:04,116][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:31:04,122][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:31:08,610][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:31:08,616][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:31:13,060][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:31:13,065][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:31:17,535][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:31:17,543][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:31:21,997][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:31:22,002][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:31:26,451][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:31:26,456][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:31:30,872][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:31:30,877][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:31:44,660][__main__][INFO] - Finished design in 3.90 minutes +[2024-04-16 17:31:44,660][__main__][INFO] - Making design testoutputs/binder_test_25 +[2024-04-16 17:31:44,682][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A24-226/0 100-100'] +[2024-04-16 17:31:44,752][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:31:49,349][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:31:49,354][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:31:53,795][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:31:53,800][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:31:58,289][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:31:58,294][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:32:02,717][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:32:02,726][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:32:07,160][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:32:07,165][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:32:11,678][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:32:11,685][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:32:16,105][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:32:16,111][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:32:20,567][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:32:20,572][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:32:25,057][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:32:25,071][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:32:29,937][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:32:29,942][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:32:34,394][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:32:34,399][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:32:38,927][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:32:38,934][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:32:43,410][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:32:43,415][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:32:47,869][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:32:47,875][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:32:52,384][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:32:52,390][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:32:56,869][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:32:56,875][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:33:01,321][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:33:01,329][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:33:05,862][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:33:05,867][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:33:10,363][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:33:10,370][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:33:14,851][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:33:14,856][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:33:19,356][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:33:19,361][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:33:23,840][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:33:23,846][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:33:28,298][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:33:28,304][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:33:32,806][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:33:32,810][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:33:37,239][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:33:37,247][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:33:41,657][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:33:41,663][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:33:46,193][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:33:46,198][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:33:50,665][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:33:50,672][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:33:55,142][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:33:55,148][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:33:59,974][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:33:59,982][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:34:04,852][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:34:04,857][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:34:09,345][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:34:09,349][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:34:13,764][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:34:13,769][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:34:18,197][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:34:18,202][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:34:22,694][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:34:22,700][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:34:27,118][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:34:27,125][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:34:31,545][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:34:31,550][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:34:36,107][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:34:36,112][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:34:40,546][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:34:40,553][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:34:45,021][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:34:45,026][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:34:49,578][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:34:49,583][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:34:54,072][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:34:54,076][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:34:58,527][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:34:58,533][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:35:03,026][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:35:03,031][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:35:07,474][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:35:07,480][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:35:11,925][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:35:11,931][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:35:16,435][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:35:16,442][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:35:21,398][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:35:21,405][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:35:25,855][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:35:25,861][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:35:38,826][__main__][INFO] - Finished design in 3.90 minutes +[2024-04-16 17:35:38,826][__main__][INFO] - Making design testoutputs/binder_test_26 +[2024-04-16 17:35:38,848][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A24-226/0 100-100'] +[2024-04-16 17:35:38,910][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:35:43,642][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:35:43,648][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:35:48,067][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:35:48,074][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:35:52,484][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:35:52,489][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:35:56,967][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:35:56,976][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:36:01,461][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:36:01,467][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:36:05,980][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:36:05,987][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:36:10,454][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:36:10,460][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:36:14,900][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:36:14,905][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:36:19,353][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:36:19,358][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:36:23,894][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:36:23,899][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:36:28,348][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:36:28,354][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:36:32,786][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:36:32,792][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:36:37,303][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:36:37,309][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:36:41,714][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:36:41,724][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:36:46,190][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:36:46,196][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:36:50,840][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:36:50,846][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:36:55,288][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:36:55,295][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:36:59,768][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:36:59,774][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:37:04,273][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:37:04,281][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:37:08,741][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:37:08,747][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:37:13,235][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:37:13,239][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:37:17,720][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:37:17,726][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:37:22,157][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:37:22,161][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:37:26,620][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:37:26,626][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:37:31,100][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:37:31,106][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:37:35,530][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:37:35,534][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:37:40,062][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:37:40,075][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:37:44,532][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:37:44,537][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:37:48,987][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:37:48,992][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:37:53,430][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:37:53,435][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:37:57,908][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:37:57,917][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:38:02,582][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:38:02,588][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:38:07,080][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:38:07,090][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:38:11,540][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:38:11,547][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:38:15,978][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:38:15,984][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:38:20,446][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:38:20,452][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:38:24,872][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:38:24,877][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:38:29,312][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:38:29,315][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:38:33,799][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:38:33,805][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:38:38,268][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:38:38,274][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:38:42,773][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:38:42,778][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:38:47,296][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:38:47,302][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:38:52,111][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:38:52,115][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:38:56,781][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:38:56,786][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:39:01,284][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:39:01,290][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:39:05,747][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:39:05,752][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:39:10,196][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:39:10,201][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:39:14,692][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:39:14,699][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:39:19,135][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:39:19,142][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:39:32,231][__main__][INFO] - Finished design in 3.89 minutes +[2024-04-16 17:39:32,231][__main__][INFO] - Making design testoutputs/binder_test_27 +[2024-04-16 17:39:32,259][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A24-226/0 100-100'] +[2024-04-16 17:39:32,335][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:39:37,154][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:39:37,158][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:39:41,635][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:39:41,641][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:39:46,068][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:39:46,075][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:39:50,498][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:39:50,504][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:39:54,972][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:39:54,978][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:39:59,418][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:39:59,435][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:40:03,919][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:40:03,924][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:40:08,407][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:40:08,412][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:40:12,884][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:40:12,892][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:40:17,351][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:40:17,357][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:40:22,304][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:40:22,311][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:40:26,867][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:40:26,873][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:40:31,515][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:40:31,520][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:40:35,963][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:40:35,968][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:40:40,410][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:40:40,416][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:40:45,118][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:40:45,130][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:40:49,595][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:40:49,600][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:40:54,049][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:40:54,056][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:40:58,524][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:40:58,529][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:41:04,124][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:41:04,128][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:41:08,829][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:41:08,834][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:41:13,285][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:41:13,290][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:41:17,731][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:41:17,737][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:41:22,277][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:41:22,282][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:41:26,738][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:41:26,747][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:41:31,215][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:41:31,222][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:41:35,728][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:41:35,733][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:41:40,176][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:41:40,181][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:41:45,364][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:41:45,369][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:41:49,800][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:41:49,807][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:41:54,256][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:41:54,261][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:41:58,714][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:41:58,719][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:42:03,149][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:42:03,156][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:42:07,610][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:42:07,615][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:42:12,184][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:42:12,190][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:42:16,661][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:42:16,668][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:42:21,139][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:42:21,144][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:42:25,621][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:42:25,627][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:42:30,220][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:42:30,224][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:42:34,689][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:42:34,695][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:42:39,210][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:42:39,215][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:42:43,612][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:42:43,617][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:42:48,035][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:42:48,040][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:42:52,586][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:42:52,592][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:42:57,029][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:42:57,034][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:43:01,488][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:43:01,494][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:43:05,976][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:43:05,981][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:43:10,411][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:43:10,416][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:43:14,841][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:43:14,847][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:43:28,113][__main__][INFO] - Finished design in 3.93 minutes +[2024-04-16 17:43:28,113][__main__][INFO] - Making design testoutputs/binder_test_28 +[2024-04-16 17:43:28,135][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A24-226/0 100-100'] +[2024-04-16 17:43:28,198][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:43:32,976][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:43:32,983][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:43:37,409][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:43:37,413][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:43:41,833][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:43:41,837][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:43:46,331][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:43:46,336][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:43:50,770][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:43:50,774][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:43:55,207][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:43:55,213][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:43:59,715][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:43:59,721][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:44:04,176][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:44:04,182][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:44:08,628][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:44:08,634][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:44:13,151][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:44:13,156][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:44:17,657][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:44:17,663][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:44:22,583][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:44:22,589][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:44:27,039][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:44:27,045][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:44:31,494][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:44:31,499][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:44:36,032][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:44:36,040][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:44:40,518][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:44:40,525][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:44:44,979][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:44:44,984][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:44:49,532][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:44:49,538][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:44:54,035][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:44:54,040][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:44:58,478][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:44:58,483][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:45:03,018][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:45:03,025][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:45:07,488][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:45:07,494][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:45:11,985][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:45:11,991][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:45:16,499][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:45:16,503][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:45:20,955][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:45:20,960][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:45:25,407][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:45:25,412][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:45:29,954][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:45:29,960][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:45:34,414][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:45:34,419][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:45:38,866][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:45:38,871][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:45:43,409][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:45:43,415][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:45:47,829][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:45:47,835][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:45:52,302][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:45:52,307][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:45:56,831][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:45:56,835][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:46:01,311][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:46:01,316][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:46:05,770][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:46:05,776][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:46:10,302][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:46:10,307][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:46:14,725][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:46:14,730][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:46:19,166][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:46:19,173][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:46:23,713][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:46:23,718][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:46:28,245][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:46:28,253][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:46:32,851][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:46:32,858][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:46:37,324][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:46:37,329][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:46:41,769][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:46:41,774][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:46:46,183][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:46:46,188][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:46:50,677][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:46:50,683][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:46:55,109][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:46:55,116][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:46:59,583][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:46:59,588][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:47:04,097][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:47:04,103][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:47:08,537][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:47:08,544][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:47:21,718][__main__][INFO] - Finished design in 3.89 minutes +[2024-04-16 17:47:21,718][__main__][INFO] - Making design testoutputs/binder_test_29 +[2024-04-16 17:47:21,739][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A24-226/0 100-100'] +[2024-04-16 17:47:21,799][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:47:26,426][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:47:26,431][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:47:30,953][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:47:30,962][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:47:35,396][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:47:35,403][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:47:39,819][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:47:39,825][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:47:44,348][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:47:44,354][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:47:49,877][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:47:49,883][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:47:54,365][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:47:54,369][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:47:58,817][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:47:58,822][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:48:03,264][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:48:03,269][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:48:07,762][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:48:07,767][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:48:12,234][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:48:12,242][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:48:16,698][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:48:16,705][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:48:21,209][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:48:21,214][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:48:25,646][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:48:25,651][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:48:30,122][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:48:30,128][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:48:34,631][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:48:34,636][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:48:39,177][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:48:39,182][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:48:43,628][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:48:43,636][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:48:48,172][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:48:48,178][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:48:52,704][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:48:52,709][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:48:57,167][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:48:57,181][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:49:01,663][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:49:01,678][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:49:06,141][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:49:06,145][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:49:10,615][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:49:10,621][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:49:15,130][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:49:15,134][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:49:19,574][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:49:19,582][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:49:24,041][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:49:24,048][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:49:28,520][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:49:28,526][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:49:32,934][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:49:32,939][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:49:37,369][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:49:37,376][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:49:41,873][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:49:41,879][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:49:46,318][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:49:46,325][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:49:50,766][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:49:50,771][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:49:55,296][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:49:55,301][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:49:59,739][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:49:59,744][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:50:04,166][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:50:04,172][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:50:08,658][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:50:08,666][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:50:13,182][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:50:13,187][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:50:17,625][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:50:17,630][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:50:22,142][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:50:22,147][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:50:26,593][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:50:26,598][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:50:31,091][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:50:31,097][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:50:35,579][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:50:35,585][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:50:40,037][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:50:40,042][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:50:44,498][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:50:44,514][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:50:49,001][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:50:49,011][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:50:53,469][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:50:53,475][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:50:57,930][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:50:57,935][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:51:02,421][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:51:02,429][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:51:15,627][__main__][INFO] - Finished design in 3.90 minutes +[2024-04-16 17:51:15,627][__main__][INFO] - Making design testoutputs/binder_test_30 +[2024-04-16 17:51:15,660][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A24-226/0 100-100'] +[2024-04-16 17:51:15,728][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:51:20,384][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:51:20,389][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:51:24,892][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:51:24,898][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:51:29,362][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:51:29,368][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:51:33,867][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:51:33,874][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:51:38,337][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:51:38,344][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:51:42,996][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:51:43,002][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:51:47,437][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:51:47,443][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:51:51,923][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:51:51,927][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:51:56,356][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:51:56,362][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:52:00,804][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:52:00,812][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:52:05,316][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:52:05,321][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:52:09,754][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:52:09,760][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:52:14,207][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:52:14,212][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:52:18,708][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:52:18,713][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:52:23,194][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:52:23,200][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:52:27,681][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:52:27,685][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:52:32,203][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:52:32,209][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:52:36,647][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:52:36,653][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:52:41,103][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:52:41,111][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:52:45,677][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:52:45,684][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:52:50,174][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:52:50,179][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:52:54,625][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:52:54,630][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:52:59,120][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:52:59,126][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:53:03,566][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:53:03,571][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:53:08,012][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:53:08,017][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:53:12,504][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:53:12,510][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:53:16,950][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:53:16,955][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:53:21,381][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:53:21,386][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:53:25,889][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:53:25,895][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:53:30,327][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:53:30,332][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:53:34,819][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:53:34,827][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:53:39,362][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:53:39,372][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:53:43,802][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:53:43,808][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:53:48,249][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:53:48,254][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:53:53,282][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:53:53,288][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:53:57,721][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:53:57,728][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:54:02,157][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:54:02,163][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:54:06,640][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:54:06,645][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:54:11,055][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:54:11,061][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:54:15,819][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:54:15,825][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:54:20,256][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:54:20,261][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:54:24,693][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:54:24,699][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:54:29,163][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:54:29,169][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:54:33,636][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:54:33,642][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:54:38,070][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:54:38,076][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:54:42,529][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:54:42,534][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:54:47,005][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:54:47,011][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:54:51,886][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:54:51,893][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:54:56,442][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:54:56,446][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:55:09,610][__main__][INFO] - Finished design in 3.90 minutes +[2024-04-16 17:55:09,610][__main__][INFO] - Making design testoutputs/binder_test_31 +[2024-04-16 17:55:09,634][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A24-226/0 100-100'] +[2024-04-16 17:55:09,701][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:55:14,314][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:55:14,319][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:55:18,744][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:55:18,748][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:55:23,265][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:55:23,270][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:55:27,667][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:55:27,673][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:55:32,125][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:55:32,131][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:55:36,636][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:55:36,641][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:55:41,056][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:55:41,062][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:55:45,501][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:55:45,507][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:55:50,066][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:55:50,072][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:55:54,530][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:55:54,537][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:55:59,060][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:55:59,065][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:56:03,594][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:56:03,601][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:56:08,043][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:56:08,048][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:56:12,488][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:56:12,494][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:56:17,035][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:56:17,041][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:56:21,474][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:56:21,482][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:56:25,954][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:56:25,961][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:56:30,472][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:56:30,479][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:56:34,938][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:56:34,944][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:56:39,486][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:56:39,491][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:56:43,979][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:56:43,985][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:56:48,435][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:56:48,441][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:56:52,900][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:56:52,907][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:56:57,405][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:56:57,411][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:57:01,888][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:57:01,896][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:57:06,390][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:57:06,396][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:57:10,906][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:57:10,913][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:57:15,384][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:57:15,390][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:57:19,878][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:57:19,883][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:57:24,417][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:57:24,424][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:57:28,867][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:57:28,872][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:57:33,320][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:57:33,324][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:57:37,788][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:57:37,794][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:57:42,232][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:57:42,235][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:57:46,639][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:57:46,646][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:57:51,117][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:57:51,123][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:57:55,546][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:57:55,551][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:57:59,994][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:58:00,001][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:58:04,536][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:58:04,542][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:58:08,969][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:58:08,976][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:58:13,425][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:58:13,431][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:58:17,940][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:58:17,946][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:58:22,409][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:58:22,414][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:58:26,860][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:58:26,866][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:58:31,369][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:58:31,377][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:58:35,846][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:58:35,853][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:58:40,275][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:58:40,281][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:58:44,758][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:58:44,764][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:58:49,158][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 17:58:49,165][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:59:02,371][__main__][INFO] - Finished design in 3.88 minutes +[2024-04-16 17:59:02,371][__main__][INFO] - Making design testoutputs/binder_test_32 +[2024-04-16 17:59:02,393][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A24-226/0 100-100'] +[2024-04-16 17:59:02,458][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:59:07,271][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:59:07,278][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:59:11,788][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:59:11,796][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:59:16,230][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:59:16,236][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:59:20,687][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:59:20,694][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:59:25,195][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:59:25,201][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:59:29,616][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:59:29,621][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:59:34,056][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:59:34,063][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:59:38,591][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:59:38,598][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:59:43,034][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:59:43,039][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:59:47,457][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:59:47,463][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:59:51,943][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:59:51,949][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 17:59:56,413][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 17:59:56,418][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:00:00,861][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:00:00,868][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:00:05,424][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:00:05,429][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:00:09,886][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:00:09,894][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:00:14,492][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:00:14,497][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:00:18,977][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:00:18,982][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:00:23,449][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:00:23,454][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:00:27,928][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:00:27,935][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:00:32,399][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:00:32,405][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:00:36,861][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:00:36,866][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:00:41,296][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:00:41,306][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:00:45,822][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:00:45,829][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:00:50,256][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:00:50,262][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:00:54,854][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:00:54,859][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:00:59,327][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:00:59,332][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:01:03,773][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:01:03,779][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:01:08,234][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:01:08,239][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:01:12,677][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:01:12,683][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:01:17,149][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:01:17,155][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:01:21,601][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:01:21,609][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:01:26,090][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:01:26,096][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:01:30,522][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:01:30,528][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:01:34,947][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:01:34,953][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:01:39,422][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:01:39,428][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:01:43,846][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:01:43,851][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:01:48,295][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:01:48,301][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:01:52,768][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:01:52,774][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:01:57,207][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:01:57,213][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:02:01,666][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:02:01,672][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:02:06,138][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:02:06,143][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:02:10,595][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:02:10,602][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:02:15,061][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:02:15,067][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:02:19,874][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:02:19,881][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:02:24,312][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:02:24,315][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:02:28,781][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:02:28,787][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:02:33,253][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:02:33,259][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:02:37,705][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:02:37,715][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:02:42,217][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:02:42,223][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:02:55,259][__main__][INFO] - Finished design in 3.88 minutes +[2024-04-16 18:02:55,260][__main__][INFO] - Making design testoutputs/binder_test_33 +[2024-04-16 18:02:55,291][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A24-226/0 100-100'] +[2024-04-16 18:02:55,362][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:03:00,161][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:03:00,167][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:03:04,608][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:03:04,614][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:03:09,107][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:03:09,114][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:03:13,550][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:03:13,557][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:03:17,983][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:03:17,989][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:03:22,437][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:03:22,443][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:03:26,913][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:03:26,918][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:03:31,722][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:03:31,733][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:03:37,474][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:03:37,491][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:03:42,247][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:03:42,251][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:03:47,621][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:03:47,627][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:03:52,562][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:03:52,566][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:03:57,030][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:03:57,035][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:04:01,475][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:04:01,481][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:04:05,997][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:04:06,005][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:04:10,471][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:04:10,476][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:04:14,917][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:04:14,923][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:04:19,549][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:04:19,553][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:04:24,037][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:04:24,043][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:04:28,482][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:04:28,487][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:04:33,002][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:04:33,008][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:04:37,465][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:04:37,472][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:04:41,925][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:04:41,931][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:04:46,450][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:04:46,455][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:04:50,880][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:04:50,886][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:04:55,347][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:04:55,352][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:04:59,838][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:04:59,846][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:05:04,278][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:05:04,284][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:05:08,729][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:05:08,734][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:05:13,274][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:05:13,279][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:05:17,865][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:05:17,871][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:05:22,409][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:05:22,416][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:05:26,926][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:05:26,931][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:05:31,376][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:05:31,382][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:05:35,837][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:05:35,842][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:05:40,346][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:05:40,351][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:05:44,778][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:05:44,784][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:05:49,206][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:05:49,213][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:05:53,715][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:05:53,719][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:05:58,166][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:05:58,171][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:06:02,618][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:06:02,622][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:06:07,370][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:06:07,376][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:06:11,854][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:06:11,860][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:06:16,293][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:06:16,299][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:06:20,796][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:06:20,802][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:06:25,241][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:06:25,246][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:06:29,669][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:06:29,676][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:06:34,229][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:06:34,235][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:06:38,673][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:06:38,678][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:06:52,361][__main__][INFO] - Finished design in 3.95 minutes +[2024-04-16 18:06:52,362][__main__][INFO] - Making design testoutputs/binder_test_34 +[2024-04-16 18:06:52,392][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A24-226/0 100-100'] +[2024-04-16 18:06:52,446][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:06:57,296][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:06:57,300][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:07:01,726][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:07:01,733][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:07:06,177][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:07:06,184][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:07:10,992][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:07:10,998][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:07:15,464][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:07:15,469][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:07:21,568][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:07:21,577][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:07:27,663][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:07:27,668][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:07:32,628][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:07:32,635][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:07:37,143][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:07:37,149][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:07:43,131][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:07:43,136][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:07:48,439][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:07:48,447][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:07:52,931][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:07:52,935][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:07:57,431][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:07:57,437][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:08:01,874][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:08:01,881][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:08:06,318][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:08:06,324][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:08:10,792][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:08:10,798][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:08:15,284][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:08:15,291][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:08:20,249][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:08:20,255][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:08:24,758][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:08:24,765][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:08:29,217][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:08:29,223][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:08:33,659][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:08:33,666][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:08:38,210][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:08:38,217][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:08:42,669][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:08:42,675][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:08:47,121][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:08:47,127][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:08:51,632][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:08:51,638][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:08:56,058][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:08:56,063][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:09:00,484][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:09:00,491][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:09:05,033][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:09:05,039][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:09:09,882][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:09:09,887][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:09:14,350][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:09:14,355][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:09:18,813][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:09:18,818][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:09:23,222][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:09:23,226][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:09:28,306][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:09:28,311][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:09:32,710][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:09:32,717][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:09:37,146][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:09:37,152][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:09:41,657][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:09:41,662][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:09:46,097][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:09:46,102][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:09:50,525][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:09:50,533][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:09:55,016][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:09:55,021][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:09:59,458][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:09:59,463][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:10:03,930][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:10:03,938][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:10:08,467][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:10:08,472][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:10:12,899][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:10:12,905][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:10:17,400][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:10:17,409][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:10:21,894][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:10:21,899][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:10:26,287][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:10:26,294][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:10:30,753][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:10:30,759][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:10:35,226][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:10:35,231][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:10:39,658][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:10:39,665][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:10:52,868][__main__][INFO] - Finished design in 4.01 minutes +[2024-04-16 18:10:52,869][__main__][INFO] - Making design testoutputs/binder_test_35 +[2024-04-16 18:10:52,898][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A24-226/0 100-100'] +[2024-04-16 18:10:52,972][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:10:57,739][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:10:57,745][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:11:02,232][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:11:02,238][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:11:06,663][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:11:06,669][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:11:11,114][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:11:11,121][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:11:15,624][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:11:15,629][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:11:20,053][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:11:20,058][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:11:24,504][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:11:24,509][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:11:29,014][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:11:29,020][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:11:33,459][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:11:33,466][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:11:37,915][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:11:37,921][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:11:42,463][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:11:42,468][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:11:46,912][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:11:46,918][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:11:51,346][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:11:51,353][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:11:55,859][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:11:55,864][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:12:00,285][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:12:00,289][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:12:04,721][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:12:04,727][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:12:09,240][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:12:09,247][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:12:13,688][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:12:13,692][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:12:18,161][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:12:18,167][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:12:22,637][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:12:22,641][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:12:27,071][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:12:27,076][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:12:31,501][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:12:31,506][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:12:36,027][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:12:36,033][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:12:40,487][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:12:40,493][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:12:44,924][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:12:44,932][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:12:49,441][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:12:49,448][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:12:53,888][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:12:53,893][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:12:58,342][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:12:58,349][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:13:02,854][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:13:02,861][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:13:07,290][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:13:07,296][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:13:11,724][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:13:11,730][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:13:16,205][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:13:16,209][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:13:20,639][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:13:20,645][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:13:25,063][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:13:25,069][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:13:29,546][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:13:29,554][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:13:33,989][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:13:33,994][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:13:38,394][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:13:38,404][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:13:42,896][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:13:42,903][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:13:47,360][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:13:47,367][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:13:51,795][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:13:51,800][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:13:56,260][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:13:56,265][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:14:00,675][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:14:00,681][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:14:05,092][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:14:05,098][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:14:09,540][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:14:09,545][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:14:13,965][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:14:13,970][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:14:18,405][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:14:18,411][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:14:22,846][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:14:22,856][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:14:27,332][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:14:27,338][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:14:31,803][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:14:31,809][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:14:44,836][__main__][INFO] - Finished design in 3.87 minutes +[2024-04-16 18:14:44,837][__main__][INFO] - Making design testoutputs/binder_test_36 +[2024-04-16 18:14:44,860][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A24-226/0 100-100'] +[2024-04-16 18:14:44,922][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:14:49,667][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:14:49,672][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:14:54,132][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:14:54,136][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:14:58,544][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:14:58,551][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:15:02,980][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:15:02,985][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:15:07,463][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:15:07,471][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:15:11,892][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:15:11,898][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:15:16,313][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:15:16,319][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:15:20,801][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:15:20,809][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:15:25,269][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:15:25,275][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:15:29,721][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:15:29,728][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:15:34,319][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:15:34,327][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:15:38,772][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:15:38,778][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:15:43,277][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:15:43,284][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:15:47,769][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:15:47,776][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:15:52,254][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:15:52,260][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:15:56,691][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:15:56,697][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:16:01,186][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:16:01,191][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:16:05,647][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:16:05,653][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:16:10,101][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:16:10,107][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:16:14,610][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:16:14,617][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:16:19,075][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:16:19,081][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:16:23,535][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:16:23,541][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:16:28,075][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:16:28,080][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:16:32,520][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:16:32,526][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:16:36,977][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:16:36,982][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:16:41,555][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:16:41,560][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:16:45,973][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:16:45,979][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:16:50,449][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:16:50,454][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:16:54,934][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:16:54,940][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:16:59,417][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:16:59,423][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:17:03,912][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:17:03,919][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:17:08,403][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:17:08,410][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:17:12,845][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:17:12,852][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:17:17,313][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:17:17,320][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:17:21,818][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:17:21,822][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:17:26,238][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:17:26,241][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:17:30,688][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:17:30,694][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:17:35,153][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:17:35,158][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:17:39,606][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:17:39,612][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:17:44,081][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:17:44,090][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:17:48,546][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:17:48,551][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:17:52,962][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:17:52,968][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:17:57,406][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:17:57,411][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:18:01,932][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:18:01,938][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:18:06,356][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:18:06,361][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:18:10,774][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:18:10,780][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:18:15,263][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:18:15,269][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:18:19,712][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:18:19,719][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:18:24,137][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:18:24,142][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:18:37,348][__main__][INFO] - Finished design in 3.88 minutes +[2024-04-16 18:18:37,348][__main__][INFO] - Making design testoutputs/binder_test_37 +[2024-04-16 18:18:37,373][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A24-226/0 100-100'] +[2024-04-16 18:18:37,436][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:18:42,186][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:18:42,191][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:18:46,588][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:18:46,595][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:18:51,059][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:18:51,063][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:18:55,508][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:18:55,514][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:18:59,956][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:18:59,962][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:19:04,384][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:19:04,389][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:19:08,889][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:19:08,895][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:19:13,329][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:19:13,335][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:19:17,765][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:19:17,769][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:19:22,249][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:19:22,255][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:19:26,724][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:19:26,731][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:19:31,213][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:19:31,219][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:19:35,703][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:19:35,709][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:19:40,155][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:19:40,161][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:19:44,613][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:19:44,620][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:19:49,134][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:19:49,140][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:19:53,622][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:19:53,628][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:19:58,084][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:19:58,091][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:20:02,585][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:20:02,589][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:20:07,001][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:20:07,007][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:20:11,456][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:20:11,462][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:20:16,517][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:20:16,523][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:20:21,517][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:20:21,523][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:20:26,574][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:20:26,580][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:20:31,567][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:20:31,572][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:20:36,585][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:20:36,598][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:20:41,601][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:20:41,605][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:20:46,662][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:20:46,669][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:20:51,681][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:20:51,687][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:20:56,729][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:20:56,735][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:21:01,729][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:21:01,736][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:21:06,775][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:21:06,781][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:21:11,806][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:21:11,813][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:21:16,841][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:21:16,847][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:21:21,824][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:21:21,828][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:21:26,876][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:21:26,884][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:21:31,887][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:21:31,893][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:21:36,949][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:21:36,955][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:21:41,927][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:21:41,939][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:21:47,001][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:21:47,006][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:21:51,819][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:21:51,824][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:21:56,864][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:21:56,869][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:22:01,834][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:22:01,840][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:22:06,911][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:22:06,918][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:22:11,922][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:22:11,927][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:22:16,958][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:22:16,965][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:22:21,990][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:22:21,995][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:22:27,020][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:22:27,024][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:22:32,005][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:22:32,011][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:22:46,974][__main__][INFO] - Finished design in 4.16 minutes +[2024-04-16 18:22:46,974][__main__][INFO] - Making design testoutputs/binder_test_38 +[2024-04-16 18:22:46,993][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A24-226/0 100-100'] +[2024-04-16 18:22:47,061][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:22:52,388][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:22:52,393][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:22:56,901][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:22:56,905][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:23:01,318][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:23:01,324][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:23:05,763][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:23:05,768][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:23:10,290][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:23:10,298][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:23:14,746][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:23:14,751][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:23:19,178][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:23:19,182][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:23:23,690][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:23:23,696][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:23:28,132][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:23:28,138][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:23:32,566][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:23:32,572][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:23:37,109][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:23:37,114][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:23:41,559][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:23:41,565][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:23:46,023][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:23:46,027][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:23:50,516][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:23:50,521][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:23:54,953][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:23:54,958][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:23:59,430][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:23:59,436][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:24:03,950][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:24:03,956][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:24:08,381][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:24:08,388][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:24:12,839][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:24:12,844][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:24:17,367][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:24:17,373][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:24:21,810][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:24:21,816][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:24:26,243][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:24:26,248][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:24:30,733][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:24:30,739][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:24:35,211][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:24:35,219][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:24:39,671][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:24:39,678][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:24:44,159][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:24:44,165][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:24:48,599][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:24:48,605][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:24:53,075][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:24:53,082][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:24:57,578][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:24:57,584][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:25:02,038][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:25:02,045][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:25:06,519][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:25:06,526][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:25:11,096][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:25:11,103][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:25:15,535][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:25:15,539][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:25:19,995][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:25:20,015][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:25:24,495][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:25:24,500][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:25:28,936][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:25:28,942][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:25:33,368][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:25:33,374][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:25:37,853][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:25:37,858][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:25:42,302][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:25:42,308][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:25:46,773][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:25:46,779][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:25:51,303][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:25:51,308][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:25:55,766][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:25:55,771][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:26:00,201][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:26:00,207][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:26:04,722][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:26:04,727][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:26:09,148][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:26:09,154][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:26:13,584][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:26:13,589][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:26:18,095][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:26:18,102][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:26:22,526][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:26:22,531][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:26:26,969][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:26:26,974][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:26:40,250][__main__][INFO] - Finished design in 3.89 minutes +[2024-04-16 18:26:40,251][__main__][INFO] - Making design testoutputs/binder_test_39 +[2024-04-16 18:26:40,276][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A24-226/0 100-100'] +[2024-04-16 18:26:40,339][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:26:45,086][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:26:45,093][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:26:49,560][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:26:49,566][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:26:54,017][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:26:54,033][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:26:58,512][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:26:58,520][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:27:02,976][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:27:02,981][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:27:07,423][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:27:07,430][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:27:11,895][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:27:11,902][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:27:16,337][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:27:16,344][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:27:20,777][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:27:20,783][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:27:25,275][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:27:25,280][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:27:29,725][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:27:29,731][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:27:34,192][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:27:34,196][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:27:38,699][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:27:38,705][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:27:43,115][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:27:43,121][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:27:47,587][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:27:47,595][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:27:52,130][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:27:52,138][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:27:56,601][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:27:56,606][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:28:01,086][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:28:01,093][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:28:05,629][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:28:05,636][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:28:10,059][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:28:10,066][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:28:14,504][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:28:14,509][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:28:19,040][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:28:19,047][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:28:23,486][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:28:23,491][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:28:27,933][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:28:27,938][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:28:32,466][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:28:32,472][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:28:36,919][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:28:36,925][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:28:41,362][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:28:41,367][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:28:45,920][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:28:45,926][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:28:50,389][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:28:50,394][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:28:54,828][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:28:54,833][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:28:59,334][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:28:59,340][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:29:03,777][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:29:03,782][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:29:08,245][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:29:08,251][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:29:12,781][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:29:12,791][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:29:17,239][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:29:17,244][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:29:21,659][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:29:21,665][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:29:26,154][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:29:26,159][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:29:30,607][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:29:30,612][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:29:35,036][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:29:35,041][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:29:39,533][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:29:39,539][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:29:43,985][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:29:43,994][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:29:48,491][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:29:48,497][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:29:53,001][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:29:53,007][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:29:57,424][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:29:57,430][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:30:01,855][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:30:01,860][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:30:06,348][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:30:06,355][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:30:10,785][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:30:10,790][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:30:15,195][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:30:15,201][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:30:19,674][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:30:19,680][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:30:32,985][__main__][INFO] - Finished design in 3.88 minutes +[2024-04-16 18:30:32,985][__main__][INFO] - Making design testoutputs/binder_test_40 +[2024-04-16 18:30:33,018][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A24-226/0 100-100'] +[2024-04-16 18:30:33,080][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:30:37,862][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:30:37,867][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:30:42,290][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:30:42,296][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:30:46,837][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:30:46,843][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:30:51,260][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:30:51,265][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:30:55,721][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:30:55,727][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:31:00,184][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:31:00,189][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:31:04,608][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:31:04,613][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:31:09,062][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:31:09,068][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:31:13,618][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:31:13,623][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:31:18,076][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:31:18,082][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:31:22,491][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:31:22,497][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:31:26,992][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:31:26,997][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:31:31,443][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:31:31,450][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:31:35,910][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:31:35,917][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:31:40,452][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:31:40,458][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:31:44,890][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:31:44,895][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:31:49,368][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:31:49,373][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:31:53,854][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:31:53,859][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:31:58,363][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:31:58,370][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:32:02,817][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:32:02,825][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:32:07,357][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:32:07,364][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:32:11,800][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:32:11,806][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:32:16,238][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:32:16,244][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:32:20,758][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:32:20,763][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:32:25,252][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:32:25,258][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:32:29,741][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:32:29,747][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:32:34,201][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:32:34,208][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:32:38,689][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:32:38,696][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:32:43,191][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:32:43,196][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:32:47,696][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:32:47,701][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:32:52,124][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:32:52,129][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:32:56,562][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:32:56,566][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:33:01,022][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:33:01,028][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:33:05,521][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:33:05,528][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:33:10,004][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:33:10,009][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:33:14,475][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:33:14,480][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:33:18,919][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:33:18,925][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:33:23,335][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:33:23,340][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:33:27,810][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:33:27,816][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:33:32,230][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:33:32,235][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:33:36,647][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:33:36,654][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:33:41,151][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:33:41,156][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:33:45,580][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:33:45,585][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:33:50,019][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:33:50,025][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:33:54,557][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:33:54,563][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:33:58,978][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:33:58,985][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:34:03,409][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:34:03,415][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:34:07,907][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:34:07,913][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:34:12,367][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:34:12,374][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:34:25,631][__main__][INFO] - Finished design in 3.88 minutes +[2024-04-16 18:34:25,632][__main__][INFO] - Making design testoutputs/binder_test_41 +[2024-04-16 18:34:25,656][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A24-226/0 100-100'] +[2024-04-16 18:34:25,725][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:34:30,367][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:34:30,372][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:34:34,851][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:34:34,863][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:34:39,318][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:34:39,324][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:34:43,749][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:34:43,756][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:34:48,261][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:34:48,267][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:34:52,702][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:34:52,708][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:34:57,155][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:34:57,160][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:35:01,696][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:35:01,702][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:35:06,153][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:35:06,159][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:35:10,650][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:35:10,656][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:35:15,191][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:35:15,196][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:35:19,640][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:35:19,645][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:35:24,100][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:35:24,108][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:35:28,637][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:35:28,642][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:35:33,114][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:35:33,119][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:35:37,606][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:35:37,615][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:35:42,108][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:35:42,114][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:35:46,573][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:35:46,579][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:35:51,057][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:35:51,062][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:35:55,535][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:35:55,541][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:35:59,984][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:35:59,990][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:36:04,535][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:36:04,544][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:36:09,251][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:36:09,258][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:36:13,719][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:36:13,727][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:36:18,233][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:36:18,237][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:36:22,702][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:36:22,708][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:36:27,196][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:36:27,200][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:36:31,725][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:36:31,731][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:36:36,185][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:36:36,192][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:36:40,646][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:36:40,652][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:36:45,167][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:36:45,173][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:36:49,622][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:36:49,629][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:36:54,115][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:36:54,122][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:36:58,604][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:36:58,609][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:37:03,085][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:37:03,097][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:37:07,567][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:37:07,574][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:37:12,104][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:37:12,112][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:37:16,538][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:37:16,544][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:37:20,984][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:37:20,991][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:37:25,534][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:37:25,540][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:37:29,997][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:37:30,003][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:37:34,419][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:37:34,425][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:37:38,934][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:37:38,940][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:37:43,363][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:37:43,368][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:37:47,833][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:37:47,837][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:37:52,318][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:37:52,323][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:37:56,766][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:37:56,771][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:38:01,225][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:38:01,231][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:38:05,755][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:38:05,764][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:38:18,940][__main__][INFO] - Finished design in 3.89 minutes +[2024-04-16 18:38:18,941][__main__][INFO] - Making design testoutputs/binder_test_42 +[2024-04-16 18:38:18,977][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A24-226/0 100-100'] +[2024-04-16 18:38:19,056][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:38:23,708][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:38:23,714][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:38:28,144][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:38:28,152][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:38:32,648][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:38:32,653][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:38:37,095][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:38:37,102][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:38:41,547][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:38:41,553][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:38:46,066][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:38:46,071][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:38:50,498][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:38:50,503][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:38:54,954][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:38:54,960][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:38:59,484][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:38:59,488][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:39:03,933][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:39:03,941][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:39:08,376][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:39:08,381][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:39:12,894][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:39:12,898][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:39:17,327][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:39:17,332][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:39:21,797][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:39:21,802][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:39:26,312][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:39:26,316][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:39:30,768][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:39:30,775][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:39:35,232][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:39:35,238][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:39:39,822][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:39:39,828][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:39:44,270][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:39:44,275][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:39:48,709][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:39:48,714][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:39:53,244][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:39:53,249][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:39:57,687][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:39:57,694][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:40:02,138][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:40:02,145][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:40:06,669][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:40:06,677][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:40:11,110][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:40:11,116][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:40:15,572][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:40:15,580][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:40:20,189][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:40:20,195][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:40:24,664][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:40:24,673][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:40:29,137][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:40:29,143][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:40:33,655][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:40:33,663][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:40:38,134][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:40:38,141][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:40:42,568][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:40:42,575][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:40:47,104][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:40:47,109][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:40:51,543][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:40:51,547][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:40:55,978][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:40:55,991][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:41:00,487][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:41:00,494][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:41:04,938][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:41:04,944][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:41:09,399][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:41:09,406][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:41:13,925][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:41:13,932][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:41:18,387][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:41:18,393][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:41:22,846][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:41:22,851][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:41:27,357][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:41:27,363][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:41:31,796][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:41:31,802][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:41:36,246][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:41:36,252][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:41:40,764][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:41:40,770][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:41:45,190][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:41:45,195][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:41:49,651][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:41:49,656][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:41:54,170][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:41:54,176][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:41:58,623][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:41:58,629][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:42:11,836][__main__][INFO] - Finished design in 3.88 minutes +[2024-04-16 18:42:11,836][__main__][INFO] - Making design testoutputs/binder_test_43 +[2024-04-16 18:42:11,863][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A24-226/0 100-100'] +[2024-04-16 18:42:11,934][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:42:16,627][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:42:16,632][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:42:21,084][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:42:21,091][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:42:25,522][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:42:25,528][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:42:30,014][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:42:30,018][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:42:34,516][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:42:34,521][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:42:38,961][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:42:38,967][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:42:43,434][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:42:43,440][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:42:47,944][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:42:47,950][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:42:52,436][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:42:52,443][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:42:56,918][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:42:56,924][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:43:01,422][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:43:01,428][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:43:05,844][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:43:05,849][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:43:10,372][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:43:10,378][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:43:14,816][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:43:14,821][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:43:19,274][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:43:19,279][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:43:23,743][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:43:23,748][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:43:28,202][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:43:28,209][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:43:32,638][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:43:32,643][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:43:37,104][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:43:37,113][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:43:41,597][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:43:41,603][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:43:46,051][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:43:46,056][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:43:50,539][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:43:50,549][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:43:55,037][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:43:55,043][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:43:59,467][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:43:59,473][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:44:03,994][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:44:03,999][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:44:08,473][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:44:08,479][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:44:12,940][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:44:12,946][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:44:17,431][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:44:17,437][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:44:21,915][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:44:21,921][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:44:26,336][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:44:26,342][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:44:30,803][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:44:30,811][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:44:35,279][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:44:35,285][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:44:39,685][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:44:39,691][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:44:44,170][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:44:44,176][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:44:48,616][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:44:48,620][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:44:53,063][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:44:53,070][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:44:57,570][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:44:57,578][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:45:02,078][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:45:02,083][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:45:06,491][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:45:06,498][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:45:10,978][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:45:10,982][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:45:15,453][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:45:15,458][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:45:19,869][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:45:19,875][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:45:24,322][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:45:24,333][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:45:28,821][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:45:28,826][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:45:33,269][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:45:33,277][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:45:37,739][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:45:37,744][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:45:42,222][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:45:42,228][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:45:46,672][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:45:46,678][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:45:51,099][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:45:51,106][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:46:04,331][__main__][INFO] - Finished design in 3.87 minutes +[2024-04-16 18:46:04,331][__main__][INFO] - Making design testoutputs/binder_test_44 +[2024-04-16 18:46:04,353][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A24-226/0 100-100'] +[2024-04-16 18:46:04,422][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:46:09,177][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:46:09,182][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:46:13,641][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:46:13,645][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:46:18,132][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:46:18,140][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:46:22,653][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:46:22,658][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:46:27,095][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:46:27,101][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:46:31,586][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:46:31,593][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:46:36,136][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:46:36,143][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:46:40,615][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:46:40,621][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:46:45,189][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:46:45,196][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:46:49,684][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:46:49,692][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:46:54,153][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:46:54,157][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:46:58,673][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:46:58,680][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:47:03,147][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:47:03,153][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:47:07,634][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:47:07,639][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:47:12,175][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:47:12,178][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:47:16,597][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.12 +[2024-04-16 18:47:16,603][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:47:21,635][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:47:21,639][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:47:26,675][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.12 +[2024-04-16 18:47:26,679][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:47:31,692][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.12 +[2024-04-16 18:47:31,698][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:47:36,782][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:47:36,787][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:47:41,246][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:47:41,252][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:47:45,829][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:47:45,835][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:47:50,565][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:47:50,571][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:47:55,062][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:47:55,068][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:47:59,579][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:47:59,584][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:48:04,045][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:48:04,052][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:48:08,512][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:48:08,518][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:48:13,043][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:48:13,048][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:48:17,471][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:48:17,478][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:48:21,929][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:48:21,933][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:48:26,440][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:48:26,446][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:48:30,888][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:48:30,893][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:48:35,344][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:48:35,351][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:48:40,038][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:48:40,045][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:48:45,043][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:48:45,059][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:48:50,144][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:48:50,149][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:48:55,113][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:48:55,119][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:49:00,168][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:49:00,172][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:49:05,179][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:49:05,185][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:49:10,193][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:49:10,197][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:49:15,149][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:49:15,156][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:49:20,357][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:49:20,362][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:49:25,309][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:49:25,313][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:49:30,338][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:49:30,343][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:49:35,321][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:49:35,328][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:49:40,368][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:49:40,374][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:49:45,205][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:49:45,209][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:49:49,977][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:49:49,981][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:49:54,793][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:49:54,800][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:50:08,575][__main__][INFO] - Finished design in 4.07 minutes +[2024-04-16 18:50:08,575][__main__][INFO] - Making design testoutputs/binder_test_45 +[2024-04-16 18:50:08,605][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A24-226/0 100-100'] +[2024-04-16 18:50:08,668][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:50:13,392][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:50:13,397][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:50:17,806][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:50:17,812][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:50:22,237][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:50:22,242][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:50:26,739][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:50:26,746][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:50:31,175][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:50:31,181][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:50:35,615][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:50:35,622][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:50:40,130][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:50:40,134][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:50:44,593][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:50:44,598][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:50:49,048][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:50:49,061][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:50:53,576][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:50:53,581][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:50:58,017][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:50:58,022][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:51:02,476][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:51:02,482][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:51:07,028][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:51:07,033][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:51:11,493][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:51:11,498][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:51:15,964][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:51:15,970][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:51:20,488][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:51:20,495][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:51:24,919][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:51:24,927][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:51:29,345][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:51:29,351][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:51:33,946][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:51:33,952][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:51:38,425][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:51:38,430][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:51:42,884][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:51:42,888][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:51:47,448][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:51:47,452][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:51:51,910][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:51:51,915][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:51:56,412][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:51:56,418][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:52:00,942][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:52:00,949][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:52:05,408][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:52:05,414][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:52:09,889][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:52:09,895][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:52:14,397][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:52:14,404][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:52:18,874][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:52:18,880][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:52:23,326][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:52:23,331][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:52:27,842][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:52:27,849][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:52:32,303][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:52:32,308][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:52:36,758][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:52:36,764][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:52:41,272][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:52:41,279][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:52:45,748][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:52:45,755][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:52:50,312][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:52:50,318][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:52:54,810][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:52:54,816][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:52:59,298][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:52:59,304][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:53:03,763][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:53:03,769][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:53:08,248][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:53:08,253][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:53:12,674][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:53:12,680][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:53:17,181][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:53:17,186][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:53:21,641][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:53:21,648][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:53:26,084][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:53:26,091][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:53:30,549][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:53:30,554][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:53:35,044][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:53:35,047][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:53:39,554][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:53:39,562][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:53:43,984][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:53:43,990][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:53:48,497][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:53:48,502][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:54:01,944][__main__][INFO] - Finished design in 3.89 minutes +[2024-04-16 18:54:01,944][__main__][INFO] - Making design testoutputs/binder_test_46 +[2024-04-16 18:54:01,973][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A24-226/0 100-100'] +[2024-04-16 18:54:02,042][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:54:06,692][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:54:06,697][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:54:11,154][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:54:11,160][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:54:15,582][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:54:15,585][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:54:20,004][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:54:20,011][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:54:24,488][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:54:24,494][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:54:28,963][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:54:28,969][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:54:33,416][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:54:33,423][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:54:37,904][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:54:37,909][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:54:42,364][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:54:42,371][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:54:46,846][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:54:46,851][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:54:51,340][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:54:51,345][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:54:55,842][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:54:55,848][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:55:00,311][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:55:00,316][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:55:04,830][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:55:04,834][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:55:09,279][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:55:09,284][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:55:13,730][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:55:13,735][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:55:18,205][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:55:18,209][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:55:22,646][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:55:22,665][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:55:27,128][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:55:27,133][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:55:31,629][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:55:31,636][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:55:36,101][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:55:36,108][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:55:40,564][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:55:40,570][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:55:45,037][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:55:45,042][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:55:49,529][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:55:49,535][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:55:53,991][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:55:54,002][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:55:58,552][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:55:58,558][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:56:03,008][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:56:03,012][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:56:07,484][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:56:07,490][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:56:12,017][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:56:12,022][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:56:16,450][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:56:16,456][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:56:20,895][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:56:20,901][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:56:25,432][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:56:25,438][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:56:29,844][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:56:29,851][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:56:34,298][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:56:34,301][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:56:38,797][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:56:38,802][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:56:43,204][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:56:43,210][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:56:47,680][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:56:47,687][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:56:52,186][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:56:52,191][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:56:56,615][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:56:56,622][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:57:01,055][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:57:01,061][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:57:05,525][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:57:05,531][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:57:09,970][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:57:09,975][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:57:14,465][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:57:14,472][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:57:18,953][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:57:18,961][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:57:23,396][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:57:23,402][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:57:27,841][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:57:27,847][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:57:32,304][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:57:32,309][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:57:36,753][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:57:36,759][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:57:41,175][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:57:41,181][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:57:54,373][__main__][INFO] - Finished design in 3.87 minutes +[2024-04-16 18:57:54,373][__main__][INFO] - Making design testoutputs/binder_test_47 +[2024-04-16 18:57:54,399][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A24-226/0 100-100'] +[2024-04-16 18:57:54,468][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:57:59,201][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:57:59,209][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:58:03,633][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:58:03,639][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:58:08,100][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:58:08,106][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:58:12,582][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:58:12,587][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:58:17,045][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:58:17,052][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:58:21,538][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:58:21,544][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:58:26,032][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:58:26,039][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:58:30,507][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:58:30,512][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:58:34,954][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:58:34,958][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:58:39,435][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:58:39,441][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:58:43,887][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:58:43,893][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:58:48,370][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:58:48,373][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:58:52,888][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:58:52,893][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:58:57,336][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:58:57,341][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:59:01,799][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:59:01,804][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:59:06,284][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:59:06,289][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:59:10,770][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:59:10,776][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:59:15,277][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:59:15,283][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:59:19,771][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:59:19,776][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:59:24,261][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:59:24,268][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:59:28,759][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:59:28,764][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:59:33,274][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:59:33,279][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:59:37,732][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:59:37,738][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:59:42,197][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:59:42,204][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:59:46,696][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:59:46,700][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:59:51,127][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 18:59:51,132][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 18:59:55,599][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 18:59:55,604][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:00:00,103][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 19:00:00,109][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:00:04,561][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 19:00:04,566][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:00:08,996][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 19:00:09,002][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:00:13,498][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 19:00:13,504][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:00:17,933][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 19:00:17,937][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:00:22,388][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 19:00:22,395][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:00:26,864][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 19:00:26,870][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:00:31,326][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 19:00:31,332][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:00:35,748][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 19:00:35,755][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:00:40,273][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 19:00:40,280][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:00:44,723][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 19:00:44,728][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:00:49,161][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 19:00:49,168][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:00:53,673][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 19:00:53,679][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:00:58,145][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 19:00:58,151][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:01:02,572][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 19:01:02,578][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:01:07,067][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 19:01:07,073][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:01:11,501][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 19:01:11,507][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:01:15,958][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 19:01:15,963][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:01:20,481][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 19:01:20,486][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:01:24,908][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 19:01:24,912][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:01:29,329][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 19:01:29,334][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:01:33,830][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 19:01:33,838][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:01:46,938][__main__][INFO] - Finished design in 3.88 minutes +[2024-04-16 19:01:46,938][__main__][INFO] - Making design testoutputs/binder_test_48 +[2024-04-16 19:01:46,962][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A24-226/0 100-100'] +[2024-04-16 19:01:47,032][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:01:51,668][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 19:01:51,674][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:01:56,087][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 19:01:56,092][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:02:00,560][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 19:02:00,566][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:02:05,055][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 19:02:05,059][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:02:09,521][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 19:02:09,524][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:02:13,981][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 19:02:13,986][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:02:18,441][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 19:02:18,447][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:02:22,903][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 19:02:22,908][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:02:27,348][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 19:02:27,355][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:02:31,861][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 19:02:31,869][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:02:36,345][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 19:02:36,351][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:02:40,821][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 19:02:40,827][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:02:45,324][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 19:02:45,328][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:02:49,771][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 19:02:49,776][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:02:54,272][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 19:02:54,278][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:02:58,704][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 19:02:58,710][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:03:03,152][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 19:03:03,158][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:03:07,636][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 19:03:07,642][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:03:12,113][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 19:03:12,118][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:03:16,572][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 19:03:16,577][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:03:21,040][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 19:03:21,048][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:03:25,548][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 19:03:25,554][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:03:29,980][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 19:03:29,984][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:03:34,484][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 19:03:34,489][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:03:38,941][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 19:03:38,947][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:03:43,383][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 19:03:43,388][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:03:47,861][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 19:03:47,869][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:03:52,418][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 19:03:52,424][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:03:56,877][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 19:03:56,883][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:04:01,317][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 19:04:01,323][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:04:05,859][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 19:04:05,865][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:04:10,320][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 19:04:10,324][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:04:14,757][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 19:04:14,762][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:04:19,281][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 19:04:19,288][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:04:23,765][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 19:04:23,771][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:04:28,484][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 19:04:28,488][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:04:32,957][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 19:04:32,962][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:04:37,406][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 19:04:37,413][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:04:41,887][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 19:04:41,893][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:04:46,332][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 19:04:46,338][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:04:50,800][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 19:04:50,807][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:04:55,341][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 19:04:55,347][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:04:59,800][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 19:04:59,805][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:05:04,242][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 19:05:04,248][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:05:08,751][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 19:05:08,756][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:05:13,210][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 19:05:13,216][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:05:17,634][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 19:05:17,640][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:05:22,108][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 19:05:22,118][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:05:26,582][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 19:05:26,586][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:05:39,984][__main__][INFO] - Finished design in 3.88 minutes +[2024-04-16 19:05:39,984][__main__][INFO] - Making design testoutputs/binder_test_49 +[2024-04-16 19:05:40,010][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A24-226/0 100-100'] +[2024-04-16 19:05:40,088][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:05:44,817][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 19:05:44,822][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:05:49,305][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 19:05:49,310][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:05:53,735][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 19:05:53,742][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:05:58,204][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 19:05:58,210][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:06:02,768][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 19:06:02,776][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:06:07,202][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 19:06:07,206][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:06:11,666][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 19:06:11,672][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:06:16,187][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 19:06:16,192][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:06:20,596][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 19:06:20,600][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:06:25,032][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 19:06:25,038][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:06:29,539][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 19:06:29,545][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:06:33,988][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 19:06:33,992][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:06:38,455][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 19:06:38,461][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:06:42,999][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 19:06:43,004][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:06:47,442][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 19:06:47,449][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:06:51,922][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 19:06:51,929][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:06:56,396][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 19:06:56,401][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:07:00,871][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 19:07:00,876][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:07:05,358][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 19:07:05,364][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:07:09,880][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 19:07:09,887][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:07:14,342][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 19:07:14,348][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:07:18,837][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 19:07:18,842][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:07:23,348][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 19:07:23,353][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:07:27,785][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 19:07:27,790][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:07:32,250][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 19:07:32,255][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:07:36,758][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 19:07:36,764][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:07:41,230][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 19:07:41,236][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:07:45,690][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 19:07:45,698][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:07:50,208][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 19:07:50,212][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:07:54,653][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 19:07:54,659][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:07:59,097][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 19:07:59,102][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:08:03,648][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 19:08:03,655][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:08:08,096][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 19:08:08,101][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:08:12,572][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 19:08:12,577][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:08:17,095][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 19:08:17,100][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:08:21,516][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 19:08:21,521][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:08:25,973][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 19:08:25,977][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:08:30,477][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 19:08:30,484][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:08:34,886][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 19:08:34,890][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:08:39,329][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 19:08:39,334][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:08:43,857][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 19:08:43,864][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:08:48,328][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 19:08:48,333][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:08:52,786][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 19:08:52,792][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:08:57,335][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 19:08:57,340][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:09:01,762][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 19:09:01,766][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:09:06,206][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 19:09:06,212][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:09:10,752][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 19:09:10,756][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:09:15,272][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 19:09:15,278][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:09:19,752][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.10 +[2024-04-16 19:09:19,758][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 19:09:32,864][__main__][INFO] - Finished design in 3.88 minutes diff --git a/RFdiffusion/outputs/2024-04-16/20-28-27/.hydra/config.yaml b/RFdiffusion/outputs/2024-04-16/20-28-27/.hydra/config.yaml new file mode 100644 index 0000000000000000000000000000000000000000..4b8b29c600b81081d29d719afaaae5e416e6c07a --- /dev/null +++ b/RFdiffusion/outputs/2024-04-16/20-28-27/.hydra/config.yaml @@ -0,0 +1,135 @@ +inference: + input_pdb: C:\Users\adminisiterlator\Desktop\fordesignpdb\4kn0.pdb + num_designs: 1 + design_startnum: 0 + ckpt_override_path: null + symmetry: null + recenter: true + radius: 10.0 + model_only_neighbors: false + output_prefix: testoutputs/binder_test + write_trajectory: true + scaffold_guided: false + model_runner: SelfConditioning + cautious: true + align_motif: true + symmetric_self_cond: true + final_step: 1 + deterministic: false + trb_save_ckpt_path: null + schedule_directory_path: null + model_directory_path: null +contigmap: + contigs: + - A24-226/0 250-250 + inpaint_seq: null + provide_seq: null + length: null +model: + n_extra_block: 4 + n_main_block: 32 + n_ref_block: 4 + d_msa: 256 + d_msa_full: 64 + d_pair: 128 + d_templ: 64 + n_head_msa: 8 + n_head_pair: 4 + n_head_templ: 4 + d_hidden: 32 + d_hidden_templ: 32 + p_drop: 0.15 + SE3_param_full: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 8 + l0_out_features: 8 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 32 + SE3_param_topk: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 64 + l0_out_features: 64 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 64 + freeze_track_motif: false + use_motif_timestep: false +diffuser: + T: 50 + b_0: 0.01 + b_T: 0.07 + schedule_type: linear + so3_type: igso3 + crd_scale: 0.25 + partial_T: null + so3_schedule_type: linear + min_b: 1.5 + max_b: 2.5 + min_sigma: 0.02 + max_sigma: 1.5 +denoiser: + noise_scale_ca: 1 + final_noise_scale_ca: 1 + ca_noise_schedule_type: constant + noise_scale_frame: 1 + final_noise_scale_frame: 1 + frame_noise_schedule_type: constant +ppi: + hotspot_res: + - A97 + - A98 + - A116 + - A118 + - A119 + - A151 + - A153 + - A154 + - A156 + - A190 +potentials: + guiding_potentials: null + guide_scale: 10 + guide_decay: constant + olig_inter_all: null + olig_intra_all: null + olig_custom_contact: null + substrate: null +contig_settings: + ref_idx: null + hal_idx: null + idx_rf: null + inpaint_seq_tensor: null +preprocess: + sidechain_input: false + motif_sidechain_input: true + d_t1d: 22 + d_t2d: 44 + prob_self_cond: 0.0 + str_self_cond: false + predict_previous: false +logging: + inputs: false +scaffoldguided: + scaffoldguided: false + target_pdb: false + target_path: null + scaffold_list: null + scaffold_dir: null + sampled_insertion: 0 + sampled_N: 0 + sampled_C: 0 + ss_mask: 0 + systematic: false + target_ss: null + target_adj: null + mask_loops: true + contig_crop: null diff --git a/RFdiffusion/outputs/2024-04-16/20-28-27/.hydra/hydra.yaml b/RFdiffusion/outputs/2024-04-16/20-28-27/.hydra/hydra.yaml new file mode 100644 index 0000000000000000000000000000000000000000..004d09158cc0de2c3364c9a4e2a8610cac497f34 --- /dev/null +++ b/RFdiffusion/outputs/2024-04-16/20-28-27/.hydra/hydra.yaml @@ -0,0 +1,160 @@ +hydra: + run: + dir: outputs/${now:%Y-%m-%d}/${now:%H-%M-%S} + sweep: + dir: multirun/${now:%Y-%m-%d}/${now:%H-%M-%S} + subdir: ${hydra.job.num} + launcher: + _target_: hydra._internal.core_plugins.basic_launcher.BasicLauncher + sweeper: + _target_: hydra._internal.core_plugins.basic_sweeper.BasicSweeper + max_batch_size: null + params: null + help: + app_name: ${hydra.job.name} + header: '${hydra.help.app_name} is powered by Hydra. + + ' + footer: 'Powered by Hydra (https://hydra.cc) + + Use --hydra-help to view Hydra specific help + + ' + template: '${hydra.help.header} + + == Configuration groups == + + Compose your configuration from those groups (group=option) + + + $APP_CONFIG_GROUPS + + + == Config == + + Override anything in the config (foo.bar=value) + + + $CONFIG + + + ${hydra.help.footer} + + ' + hydra_help: + template: 'Hydra (${hydra.runtime.version}) + + See https://hydra.cc for more info. + + + == Flags == + + $FLAGS_HELP + + + == Configuration groups == + + Compose your configuration from those groups (For example, append hydra/job_logging=disabled + to command line) + + + $HYDRA_CONFIG_GROUPS + + + Use ''--cfg hydra'' to Show the Hydra config. + + ' + hydra_help: ??? + hydra_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][HYDRA] %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + root: + level: INFO + handlers: + - console + loggers: + logging_example: + level: DEBUG + disable_existing_loggers: false + job_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][%(name)s][%(levelname)s] - %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + file: + class: logging.FileHandler + formatter: simple + filename: ${hydra.runtime.output_dir}/${hydra.job.name}.log + root: + level: INFO + handlers: + - console + - file + disable_existing_loggers: false + env: {} + mode: RUN + searchpath: [] + callbacks: {} + output_subdir: .hydra + overrides: + hydra: + - hydra.mode=RUN + task: + - inference.output_prefix=./ + - inference.input_pdb=C:\Users\adminisiterlator\Desktop\fordesignpdb\4kn0.pdb + - contigmap.contigs=[A24-226/0 250-250] + - ppi.hotspot_res=[A97,A98,A116,A118,A119,A151,A153,A154,A156,A190] + - inference.output_prefix=testoutputs/binder_test + - inference.num_designs=1 + job: + name: run_inference + chdir: null + override_dirname: contigmap.contigs=[A24-226/0 250-250],inference.input_pdb=C:\Users\adminisiterlator\Desktop\fordesignpdb\4kn0.pdb,inference.num_designs=1,inference.output_prefix=./,inference.output_prefix=testoutputs/binder_test,ppi.hotspot_res=[A97,A98,A116,A118,A119,A151,A153,A154,A156,A190] + id: ??? + num: ??? + config_name: base + env_set: {} + env_copy: [] + config: + override_dirname: + kv_sep: '=' + item_sep: ',' + exclude_keys: [] + runtime: + version: 1.3.2 + version_base: '1.3' + cwd: C:\Users\adminisiterlator\RFdiffusion + config_sources: + - path: hydra.conf + schema: pkg + provider: hydra + - path: C:\Users\adminisiterlator\RFdiffusion\config\inference + schema: file + provider: main + - path: '' + schema: structured + provider: schema + output_dir: C:\Users\adminisiterlator\RFdiffusion\outputs\2024-04-16\20-28-27 + choices: + hydra/env: default + hydra/callbacks: null + hydra/job_logging: default + hydra/hydra_logging: default + hydra/hydra_help: default + hydra/help: default + hydra/sweeper: basic + hydra/launcher: basic + hydra/output: default + verbose: false diff --git a/RFdiffusion/outputs/2024-04-16/20-28-27/.hydra/overrides.yaml b/RFdiffusion/outputs/2024-04-16/20-28-27/.hydra/overrides.yaml new file mode 100644 index 0000000000000000000000000000000000000000..504bee1f9f9b0bcc2e942a22a599ee19faa1a5be --- /dev/null +++ b/RFdiffusion/outputs/2024-04-16/20-28-27/.hydra/overrides.yaml @@ -0,0 +1,6 @@ +- inference.output_prefix=./ +- inference.input_pdb=C:\Users\adminisiterlator\Desktop\fordesignpdb\4kn0.pdb +- contigmap.contigs=[A24-226/0 250-250] +- ppi.hotspot_res=[A97,A98,A116,A118,A119,A151,A153,A154,A156,A190] +- inference.output_prefix=testoutputs/binder_test +- inference.num_designs=1 diff --git a/RFdiffusion/outputs/2024-04-16/20-28-27/run_inference.log b/RFdiffusion/outputs/2024-04-16/20-28-27/run_inference.log new file mode 100644 index 0000000000000000000000000000000000000000..4fb3727929655304db924f4dea0564f1e349dafe --- /dev/null +++ b/RFdiffusion/outputs/2024-04-16/20-28-27/run_inference.log @@ -0,0 +1,6 @@ +[2024-04-16 20:28:27,863][__main__][INFO] - Found GPU with device_name NVIDIA GeForce RTX 2060. Will run RFdiffusion on NVIDIA GeForce RTX 2060 +[2024-04-16 20:28:27,864][rfdiffusion.inference.model_runners][INFO] - Reading checkpoint from C:\Users\adminisiterlator\RFdiffusion\rfdiffusion\inference/../../models/Complex_base_ckpt.pt +[2024-04-16 20:28:32,139][rfdiffusion.inference.model_runners][INFO] - Loading checkpoint. +[2024-04-16 20:28:37,935][rfdiffusion.diffusion][INFO] - Using cached IGSO3. +[2024-04-16 20:28:37,958][__main__][INFO] - Making design testoutputs/binder_test_0 +[2024-04-16 20:28:37,958][__main__][INFO] - (cautious mode) Skipping this design because testoutputs/binder_test_0.pdb already exists. diff --git a/RFdiffusion/outputs/2024-04-16/20-31-07/.hydra/config.yaml b/RFdiffusion/outputs/2024-04-16/20-31-07/.hydra/config.yaml new file mode 100644 index 0000000000000000000000000000000000000000..4b8b29c600b81081d29d719afaaae5e416e6c07a --- /dev/null +++ b/RFdiffusion/outputs/2024-04-16/20-31-07/.hydra/config.yaml @@ -0,0 +1,135 @@ +inference: + input_pdb: C:\Users\adminisiterlator\Desktop\fordesignpdb\4kn0.pdb + num_designs: 1 + design_startnum: 0 + ckpt_override_path: null + symmetry: null + recenter: true + radius: 10.0 + model_only_neighbors: false + output_prefix: testoutputs/binder_test + write_trajectory: true + scaffold_guided: false + model_runner: SelfConditioning + cautious: true + align_motif: true + symmetric_self_cond: true + final_step: 1 + deterministic: false + trb_save_ckpt_path: null + schedule_directory_path: null + model_directory_path: null +contigmap: + contigs: + - A24-226/0 250-250 + inpaint_seq: null + provide_seq: null + length: null +model: + n_extra_block: 4 + n_main_block: 32 + n_ref_block: 4 + d_msa: 256 + d_msa_full: 64 + d_pair: 128 + d_templ: 64 + n_head_msa: 8 + n_head_pair: 4 + n_head_templ: 4 + d_hidden: 32 + d_hidden_templ: 32 + p_drop: 0.15 + SE3_param_full: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 8 + l0_out_features: 8 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 32 + SE3_param_topk: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 64 + l0_out_features: 64 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 64 + freeze_track_motif: false + use_motif_timestep: false +diffuser: + T: 50 + b_0: 0.01 + b_T: 0.07 + schedule_type: linear + so3_type: igso3 + crd_scale: 0.25 + partial_T: null + so3_schedule_type: linear + min_b: 1.5 + max_b: 2.5 + min_sigma: 0.02 + max_sigma: 1.5 +denoiser: + noise_scale_ca: 1 + final_noise_scale_ca: 1 + ca_noise_schedule_type: constant + noise_scale_frame: 1 + final_noise_scale_frame: 1 + frame_noise_schedule_type: constant +ppi: + hotspot_res: + - A97 + - A98 + - A116 + - A118 + - A119 + - A151 + - A153 + - A154 + - A156 + - A190 +potentials: + guiding_potentials: null + guide_scale: 10 + guide_decay: constant + olig_inter_all: null + olig_intra_all: null + olig_custom_contact: null + substrate: null +contig_settings: + ref_idx: null + hal_idx: null + idx_rf: null + inpaint_seq_tensor: null +preprocess: + sidechain_input: false + motif_sidechain_input: true + d_t1d: 22 + d_t2d: 44 + prob_self_cond: 0.0 + str_self_cond: false + predict_previous: false +logging: + inputs: false +scaffoldguided: + scaffoldguided: false + target_pdb: false + target_path: null + scaffold_list: null + scaffold_dir: null + sampled_insertion: 0 + sampled_N: 0 + sampled_C: 0 + ss_mask: 0 + systematic: false + target_ss: null + target_adj: null + mask_loops: true + contig_crop: null diff --git a/RFdiffusion/outputs/2024-04-16/20-31-07/.hydra/hydra.yaml b/RFdiffusion/outputs/2024-04-16/20-31-07/.hydra/hydra.yaml new file mode 100644 index 0000000000000000000000000000000000000000..8915c08f2323d12e4d2fe1e6e69f9cf53276bc02 --- /dev/null +++ b/RFdiffusion/outputs/2024-04-16/20-31-07/.hydra/hydra.yaml @@ -0,0 +1,160 @@ +hydra: + run: + dir: outputs/${now:%Y-%m-%d}/${now:%H-%M-%S} + sweep: + dir: multirun/${now:%Y-%m-%d}/${now:%H-%M-%S} + subdir: ${hydra.job.num} + launcher: + _target_: hydra._internal.core_plugins.basic_launcher.BasicLauncher + sweeper: + _target_: hydra._internal.core_plugins.basic_sweeper.BasicSweeper + max_batch_size: null + params: null + help: + app_name: ${hydra.job.name} + header: '${hydra.help.app_name} is powered by Hydra. + + ' + footer: 'Powered by Hydra (https://hydra.cc) + + Use --hydra-help to view Hydra specific help + + ' + template: '${hydra.help.header} + + == Configuration groups == + + Compose your configuration from those groups (group=option) + + + $APP_CONFIG_GROUPS + + + == Config == + + Override anything in the config (foo.bar=value) + + + $CONFIG + + + ${hydra.help.footer} + + ' + hydra_help: + template: 'Hydra (${hydra.runtime.version}) + + See https://hydra.cc for more info. + + + == Flags == + + $FLAGS_HELP + + + == Configuration groups == + + Compose your configuration from those groups (For example, append hydra/job_logging=disabled + to command line) + + + $HYDRA_CONFIG_GROUPS + + + Use ''--cfg hydra'' to Show the Hydra config. + + ' + hydra_help: ??? + hydra_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][HYDRA] %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + root: + level: INFO + handlers: + - console + loggers: + logging_example: + level: DEBUG + disable_existing_loggers: false + job_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][%(name)s][%(levelname)s] - %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + file: + class: logging.FileHandler + formatter: simple + filename: ${hydra.runtime.output_dir}/${hydra.job.name}.log + root: + level: INFO + handlers: + - console + - file + disable_existing_loggers: false + env: {} + mode: RUN + searchpath: [] + callbacks: {} + output_subdir: .hydra + overrides: + hydra: + - hydra.mode=RUN + task: + - inference.output_prefix=./ + - inference.input_pdb=C:\Users\adminisiterlator\Desktop\fordesignpdb\4kn0.pdb + - contigmap.contigs=[A24-226/0 250-250] + - ppi.hotspot_res=[A97,A98,A116,A118,A119,A151,A153,A154,A156,A190] + - inference.output_prefix=testoutputs/binder_test + - inference.num_designs=1 + job: + name: run_inference + chdir: null + override_dirname: contigmap.contigs=[A24-226/0 250-250],inference.input_pdb=C:\Users\adminisiterlator\Desktop\fordesignpdb\4kn0.pdb,inference.num_designs=1,inference.output_prefix=./,inference.output_prefix=testoutputs/binder_test,ppi.hotspot_res=[A97,A98,A116,A118,A119,A151,A153,A154,A156,A190] + id: ??? + num: ??? + config_name: base + env_set: {} + env_copy: [] + config: + override_dirname: + kv_sep: '=' + item_sep: ',' + exclude_keys: [] + runtime: + version: 1.3.2 + version_base: '1.3' + cwd: C:\Users\adminisiterlator\RFdiffusion + config_sources: + - path: hydra.conf + schema: pkg + provider: hydra + - path: C:\Users\adminisiterlator\RFdiffusion\config\inference + schema: file + provider: main + - path: '' + schema: structured + provider: schema + output_dir: C:\Users\adminisiterlator\RFdiffusion\outputs\2024-04-16\20-31-07 + choices: + hydra/env: default + hydra/callbacks: null + hydra/job_logging: default + hydra/hydra_logging: default + hydra/hydra_help: default + hydra/help: default + hydra/sweeper: basic + hydra/launcher: basic + hydra/output: default + verbose: false diff --git a/RFdiffusion/outputs/2024-04-16/20-31-07/.hydra/overrides.yaml b/RFdiffusion/outputs/2024-04-16/20-31-07/.hydra/overrides.yaml new file mode 100644 index 0000000000000000000000000000000000000000..504bee1f9f9b0bcc2e942a22a599ee19faa1a5be --- /dev/null +++ b/RFdiffusion/outputs/2024-04-16/20-31-07/.hydra/overrides.yaml @@ -0,0 +1,6 @@ +- inference.output_prefix=./ +- inference.input_pdb=C:\Users\adminisiterlator\Desktop\fordesignpdb\4kn0.pdb +- contigmap.contigs=[A24-226/0 250-250] +- ppi.hotspot_res=[A97,A98,A116,A118,A119,A151,A153,A154,A156,A190] +- inference.output_prefix=testoutputs/binder_test +- inference.num_designs=1 diff --git a/RFdiffusion/outputs/2024-04-16/20-31-07/run_inference.log b/RFdiffusion/outputs/2024-04-16/20-31-07/run_inference.log new file mode 100644 index 0000000000000000000000000000000000000000..9ae24f523b6eb799a26fbfa1750175ce02e9fea4 --- /dev/null +++ b/RFdiffusion/outputs/2024-04-16/20-31-07/run_inference.log @@ -0,0 +1,106 @@ +[2024-04-16 20:31:07,156][__main__][INFO] - Found GPU with device_name NVIDIA GeForce RTX 2060. Will run RFdiffusion on NVIDIA GeForce RTX 2060 +[2024-04-16 20:31:07,158][rfdiffusion.inference.model_runners][INFO] - Reading checkpoint from C:\Users\adminisiterlator\RFdiffusion\rfdiffusion\inference/../../models/Complex_base_ckpt.pt +[2024-04-16 20:31:11,631][rfdiffusion.inference.model_runners][INFO] - Loading checkpoint. +[2024-04-16 20:31:17,487][rfdiffusion.diffusion][INFO] - Using cached IGSO3. +[2024-04-16 20:31:17,515][__main__][INFO] - Making design testoutputs/binder_test_0 +[2024-04-16 20:31:17,540][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A24-226/0 250-250'] +[2024-04-16 20:31:17,621][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 20:31:32,084][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.12 +[2024-04-16 20:31:32,091][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 20:31:42,511][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 20:31:42,518][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 20:31:52,028][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.12 +[2024-04-16 20:31:52,033][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 20:32:01,596][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.12 +[2024-04-16 20:32:01,602][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 20:32:11,097][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.12 +[2024-04-16 20:32:11,103][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 20:32:22,924][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 20:32:22,930][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 20:32:33,831][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 20:32:33,837][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 20:32:45,449][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 20:32:45,456][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 20:32:57,618][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 20:32:57,624][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 20:33:10,452][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 20:33:10,458][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 20:33:23,160][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 20:33:23,170][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 20:33:39,165][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.12 +[2024-04-16 20:33:39,173][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 20:33:51,954][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 20:33:51,961][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 20:34:09,087][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 20:34:09,094][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 20:34:20,725][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 20:34:20,732][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 20:34:31,359][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 20:34:31,364][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 20:34:42,021][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 20:34:42,028][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 20:34:52,641][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.12 +[2024-04-16 20:34:52,647][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 20:35:03,268][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.12 +[2024-04-16 20:35:03,274][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 20:35:13,897][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 20:35:13,904][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 20:35:24,588][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.12 +[2024-04-16 20:35:24,592][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 20:35:35,190][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.12 +[2024-04-16 20:35:35,195][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 20:35:45,850][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 20:35:45,856][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 20:35:56,516][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 20:35:56,522][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 20:36:07,491][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 20:36:07,497][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 20:36:18,180][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.12 +[2024-04-16 20:36:18,187][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 20:36:28,918][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 20:36:28,923][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 20:36:39,559][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 20:36:39,566][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 20:36:50,253][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 20:36:50,260][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 20:37:00,884][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 20:37:00,891][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 20:37:11,523][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 20:37:11,529][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 20:37:22,149][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 20:37:22,156][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 20:37:32,858][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 20:37:32,864][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 20:37:43,548][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 20:37:43,556][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 20:37:54,225][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 20:37:54,234][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 20:38:04,847][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 20:38:04,852][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 20:38:15,487][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 20:38:15,493][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 20:38:26,149][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 20:38:26,154][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 20:38:36,780][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 20:38:36,787][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 20:38:47,431][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 20:38:47,438][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 20:38:58,047][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 20:38:58,054][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 20:39:08,682][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 20:39:08,689][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 20:39:19,304][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 20:39:19,310][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 20:39:29,933][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 20:39:29,940][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 20:39:40,678][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 20:39:40,684][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 20:39:52,017][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 20:39:52,023][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 20:40:02,695][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 20:40:02,700][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 20:40:13,380][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 20:40:13,385][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 20:40:24,126][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 20:40:24,132][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 20:40:45,429][__main__][INFO] - Finished design in 9.47 minutes diff --git a/RFdiffusion/outputs/2024-04-16/20-53-55/.hydra/config.yaml b/RFdiffusion/outputs/2024-04-16/20-53-55/.hydra/config.yaml new file mode 100644 index 0000000000000000000000000000000000000000..6f2744f3eca517d392db7c6e49bc2973d5475cd5 --- /dev/null +++ b/RFdiffusion/outputs/2024-04-16/20-53-55/.hydra/config.yaml @@ -0,0 +1,135 @@ +inference: + input_pdb: C:\Users\adminisiterlator\Desktop\fordesignpdb\4kn0.pdb + num_designs: 1 + design_startnum: 0 + ckpt_override_path: models/Complex_beta_ckpt.pt + symmetry: null + recenter: true + radius: 10.0 + model_only_neighbors: false + output_prefix: testoutputs/binder_test + write_trajectory: true + scaffold_guided: false + model_runner: SelfConditioning + cautious: true + align_motif: true + symmetric_self_cond: true + final_step: 1 + deterministic: false + trb_save_ckpt_path: null + schedule_directory_path: null + model_directory_path: null +contigmap: + contigs: + - A24-226/0 250-250 + inpaint_seq: null + provide_seq: null + length: null +model: + n_extra_block: 4 + n_main_block: 32 + n_ref_block: 4 + d_msa: 256 + d_msa_full: 64 + d_pair: 128 + d_templ: 64 + n_head_msa: 8 + n_head_pair: 4 + n_head_templ: 4 + d_hidden: 32 + d_hidden_templ: 32 + p_drop: 0.15 + SE3_param_full: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 8 + l0_out_features: 8 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 32 + SE3_param_topk: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 64 + l0_out_features: 64 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 64 + freeze_track_motif: false + use_motif_timestep: false +diffuser: + T: 50 + b_0: 0.01 + b_T: 0.07 + schedule_type: linear + so3_type: igso3 + crd_scale: 0.25 + partial_T: null + so3_schedule_type: linear + min_b: 1.5 + max_b: 2.5 + min_sigma: 0.02 + max_sigma: 1.5 +denoiser: + noise_scale_ca: 1 + final_noise_scale_ca: 1 + ca_noise_schedule_type: constant + noise_scale_frame: 1 + final_noise_scale_frame: 1 + frame_noise_schedule_type: constant +ppi: + hotspot_res: + - A97 + - A98 + - A116 + - A118 + - A119 + - A151 + - A153 + - A154 + - A156 + - A190 +potentials: + guiding_potentials: null + guide_scale: 10 + guide_decay: constant + olig_inter_all: null + olig_intra_all: null + olig_custom_contact: null + substrate: null +contig_settings: + ref_idx: null + hal_idx: null + idx_rf: null + inpaint_seq_tensor: null +preprocess: + sidechain_input: false + motif_sidechain_input: true + d_t1d: 22 + d_t2d: 44 + prob_self_cond: 0.0 + str_self_cond: false + predict_previous: false +logging: + inputs: false +scaffoldguided: + scaffoldguided: false + target_pdb: false + target_path: null + scaffold_list: null + scaffold_dir: null + sampled_insertion: 0 + sampled_N: 0 + sampled_C: 0 + ss_mask: 0 + systematic: false + target_ss: null + target_adj: null + mask_loops: true + contig_crop: null diff --git a/RFdiffusion/outputs/2024-04-16/20-53-55/.hydra/hydra.yaml b/RFdiffusion/outputs/2024-04-16/20-53-55/.hydra/hydra.yaml new file mode 100644 index 0000000000000000000000000000000000000000..dc4147ef5ab7f0f2e82b5baefff185eef134543a --- /dev/null +++ b/RFdiffusion/outputs/2024-04-16/20-53-55/.hydra/hydra.yaml @@ -0,0 +1,161 @@ +hydra: + run: + dir: outputs/${now:%Y-%m-%d}/${now:%H-%M-%S} + sweep: + dir: multirun/${now:%Y-%m-%d}/${now:%H-%M-%S} + subdir: ${hydra.job.num} + launcher: + _target_: hydra._internal.core_plugins.basic_launcher.BasicLauncher + sweeper: + _target_: hydra._internal.core_plugins.basic_sweeper.BasicSweeper + max_batch_size: null + params: null + help: + app_name: ${hydra.job.name} + header: '${hydra.help.app_name} is powered by Hydra. + + ' + footer: 'Powered by Hydra (https://hydra.cc) + + Use --hydra-help to view Hydra specific help + + ' + template: '${hydra.help.header} + + == Configuration groups == + + Compose your configuration from those groups (group=option) + + + $APP_CONFIG_GROUPS + + + == Config == + + Override anything in the config (foo.bar=value) + + + $CONFIG + + + ${hydra.help.footer} + + ' + hydra_help: + template: 'Hydra (${hydra.runtime.version}) + + See https://hydra.cc for more info. + + + == Flags == + + $FLAGS_HELP + + + == Configuration groups == + + Compose your configuration from those groups (For example, append hydra/job_logging=disabled + to command line) + + + $HYDRA_CONFIG_GROUPS + + + Use ''--cfg hydra'' to Show the Hydra config. + + ' + hydra_help: ??? + hydra_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][HYDRA] %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + root: + level: INFO + handlers: + - console + loggers: + logging_example: + level: DEBUG + disable_existing_loggers: false + job_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][%(name)s][%(levelname)s] - %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + file: + class: logging.FileHandler + formatter: simple + filename: ${hydra.runtime.output_dir}/${hydra.job.name}.log + root: + level: INFO + handlers: + - console + - file + disable_existing_loggers: false + env: {} + mode: RUN + searchpath: [] + callbacks: {} + output_subdir: .hydra + overrides: + hydra: + - hydra.mode=RUN + task: + - inference.output_prefix=./ + - inference.input_pdb=C:\Users\adminisiterlator\Desktop\fordesignpdb\4kn0.pdb + - contigmap.contigs=[A24-226/0 250-250] + - ppi.hotspot_res=[A97,A98,A116,A118,A119,A151,A153,A154,A156,A190] + - inference.output_prefix=testoutputs/binder_test + - inference.num_designs=1 + - inference.ckpt_override_path=models/Complex_beta_ckpt.pt + job: + name: run_inference + chdir: null + override_dirname: contigmap.contigs=[A24-226/0 250-250],inference.ckpt_override_path=models/Complex_beta_ckpt.pt,inference.input_pdb=C:\Users\adminisiterlator\Desktop\fordesignpdb\4kn0.pdb,inference.num_designs=1,inference.output_prefix=./,inference.output_prefix=testoutputs/binder_test,ppi.hotspot_res=[A97,A98,A116,A118,A119,A151,A153,A154,A156,A190] + id: ??? + num: ??? + config_name: base + env_set: {} + env_copy: [] + config: + override_dirname: + kv_sep: '=' + item_sep: ',' + exclude_keys: [] + runtime: + version: 1.3.2 + version_base: '1.3' + cwd: C:\Users\adminisiterlator\RFdiffusion + config_sources: + - path: hydra.conf + schema: pkg + provider: hydra + - path: C:\Users\adminisiterlator\RFdiffusion\config\inference + schema: file + provider: main + - path: '' + schema: structured + provider: schema + output_dir: C:\Users\adminisiterlator\RFdiffusion\outputs\2024-04-16\20-53-55 + choices: + hydra/env: default + hydra/callbacks: null + hydra/job_logging: default + hydra/hydra_logging: default + hydra/hydra_help: default + hydra/help: default + hydra/sweeper: basic + hydra/launcher: basic + hydra/output: default + verbose: false diff --git a/RFdiffusion/outputs/2024-04-16/20-53-55/.hydra/overrides.yaml b/RFdiffusion/outputs/2024-04-16/20-53-55/.hydra/overrides.yaml new file mode 100644 index 0000000000000000000000000000000000000000..e7eeb25ffbdd908c21f9c411f76dcc36290f918c --- /dev/null +++ b/RFdiffusion/outputs/2024-04-16/20-53-55/.hydra/overrides.yaml @@ -0,0 +1,7 @@ +- inference.output_prefix=./ +- inference.input_pdb=C:\Users\adminisiterlator\Desktop\fordesignpdb\4kn0.pdb +- contigmap.contigs=[A24-226/0 250-250] +- ppi.hotspot_res=[A97,A98,A116,A118,A119,A151,A153,A154,A156,A190] +- inference.output_prefix=testoutputs/binder_test +- inference.num_designs=1 +- inference.ckpt_override_path=models/Complex_beta_ckpt.pt diff --git a/RFdiffusion/outputs/2024-04-16/20-53-55/run_inference.log b/RFdiffusion/outputs/2024-04-16/20-53-55/run_inference.log new file mode 100644 index 0000000000000000000000000000000000000000..8dacdff9880b1162d10210e61cce1e1d0c3404b6 --- /dev/null +++ b/RFdiffusion/outputs/2024-04-16/20-53-55/run_inference.log @@ -0,0 +1,6 @@ +[2024-04-16 20:53:55,646][__main__][INFO] - Found GPU with device_name NVIDIA GeForce RTX 2060. Will run RFdiffusion on NVIDIA GeForce RTX 2060 +[2024-04-16 20:53:55,649][rfdiffusion.inference.model_runners][INFO] - Reading checkpoint from models/Complex_beta_ckpt.pt +[2024-04-16 20:54:00,443][rfdiffusion.inference.model_runners][INFO] - Loading checkpoint. +[2024-04-16 20:54:06,374][rfdiffusion.diffusion][INFO] - Using cached IGSO3. +[2024-04-16 20:54:06,407][__main__][INFO] - Making design testoutputs/binder_test_0 +[2024-04-16 20:54:06,408][__main__][INFO] - (cautious mode) Skipping this design because testoutputs/binder_test_0.pdb already exists. diff --git a/RFdiffusion/outputs/2024-04-16/20-54-31/.hydra/config.yaml b/RFdiffusion/outputs/2024-04-16/20-54-31/.hydra/config.yaml new file mode 100644 index 0000000000000000000000000000000000000000..6f2744f3eca517d392db7c6e49bc2973d5475cd5 --- /dev/null +++ b/RFdiffusion/outputs/2024-04-16/20-54-31/.hydra/config.yaml @@ -0,0 +1,135 @@ +inference: + input_pdb: C:\Users\adminisiterlator\Desktop\fordesignpdb\4kn0.pdb + num_designs: 1 + design_startnum: 0 + ckpt_override_path: models/Complex_beta_ckpt.pt + symmetry: null + recenter: true + radius: 10.0 + model_only_neighbors: false + output_prefix: testoutputs/binder_test + write_trajectory: true + scaffold_guided: false + model_runner: SelfConditioning + cautious: true + align_motif: true + symmetric_self_cond: true + final_step: 1 + deterministic: false + trb_save_ckpt_path: null + schedule_directory_path: null + model_directory_path: null +contigmap: + contigs: + - A24-226/0 250-250 + inpaint_seq: null + provide_seq: null + length: null +model: + n_extra_block: 4 + n_main_block: 32 + n_ref_block: 4 + d_msa: 256 + d_msa_full: 64 + d_pair: 128 + d_templ: 64 + n_head_msa: 8 + n_head_pair: 4 + n_head_templ: 4 + d_hidden: 32 + d_hidden_templ: 32 + p_drop: 0.15 + SE3_param_full: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 8 + l0_out_features: 8 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 32 + SE3_param_topk: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 64 + l0_out_features: 64 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 64 + freeze_track_motif: false + use_motif_timestep: false +diffuser: + T: 50 + b_0: 0.01 + b_T: 0.07 + schedule_type: linear + so3_type: igso3 + crd_scale: 0.25 + partial_T: null + so3_schedule_type: linear + min_b: 1.5 + max_b: 2.5 + min_sigma: 0.02 + max_sigma: 1.5 +denoiser: + noise_scale_ca: 1 + final_noise_scale_ca: 1 + ca_noise_schedule_type: constant + noise_scale_frame: 1 + final_noise_scale_frame: 1 + frame_noise_schedule_type: constant +ppi: + hotspot_res: + - A97 + - A98 + - A116 + - A118 + - A119 + - A151 + - A153 + - A154 + - A156 + - A190 +potentials: + guiding_potentials: null + guide_scale: 10 + guide_decay: constant + olig_inter_all: null + olig_intra_all: null + olig_custom_contact: null + substrate: null +contig_settings: + ref_idx: null + hal_idx: null + idx_rf: null + inpaint_seq_tensor: null +preprocess: + sidechain_input: false + motif_sidechain_input: true + d_t1d: 22 + d_t2d: 44 + prob_self_cond: 0.0 + str_self_cond: false + predict_previous: false +logging: + inputs: false +scaffoldguided: + scaffoldguided: false + target_pdb: false + target_path: null + scaffold_list: null + scaffold_dir: null + sampled_insertion: 0 + sampled_N: 0 + sampled_C: 0 + ss_mask: 0 + systematic: false + target_ss: null + target_adj: null + mask_loops: true + contig_crop: null diff --git a/RFdiffusion/outputs/2024-04-16/20-54-31/.hydra/hydra.yaml b/RFdiffusion/outputs/2024-04-16/20-54-31/.hydra/hydra.yaml new file mode 100644 index 0000000000000000000000000000000000000000..fd7482904a00111c7d11231e7ded1133b11b9c7f --- /dev/null +++ b/RFdiffusion/outputs/2024-04-16/20-54-31/.hydra/hydra.yaml @@ -0,0 +1,161 @@ +hydra: + run: + dir: outputs/${now:%Y-%m-%d}/${now:%H-%M-%S} + sweep: + dir: multirun/${now:%Y-%m-%d}/${now:%H-%M-%S} + subdir: ${hydra.job.num} + launcher: + _target_: hydra._internal.core_plugins.basic_launcher.BasicLauncher + sweeper: + _target_: hydra._internal.core_plugins.basic_sweeper.BasicSweeper + max_batch_size: null + params: null + help: + app_name: ${hydra.job.name} + header: '${hydra.help.app_name} is powered by Hydra. + + ' + footer: 'Powered by Hydra (https://hydra.cc) + + Use --hydra-help to view Hydra specific help + + ' + template: '${hydra.help.header} + + == Configuration groups == + + Compose your configuration from those groups (group=option) + + + $APP_CONFIG_GROUPS + + + == Config == + + Override anything in the config (foo.bar=value) + + + $CONFIG + + + ${hydra.help.footer} + + ' + hydra_help: + template: 'Hydra (${hydra.runtime.version}) + + See https://hydra.cc for more info. + + + == Flags == + + $FLAGS_HELP + + + == Configuration groups == + + Compose your configuration from those groups (For example, append hydra/job_logging=disabled + to command line) + + + $HYDRA_CONFIG_GROUPS + + + Use ''--cfg hydra'' to Show the Hydra config. + + ' + hydra_help: ??? + hydra_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][HYDRA] %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + root: + level: INFO + handlers: + - console + loggers: + logging_example: + level: DEBUG + disable_existing_loggers: false + job_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][%(name)s][%(levelname)s] - %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + file: + class: logging.FileHandler + formatter: simple + filename: ${hydra.runtime.output_dir}/${hydra.job.name}.log + root: + level: INFO + handlers: + - console + - file + disable_existing_loggers: false + env: {} + mode: RUN + searchpath: [] + callbacks: {} + output_subdir: .hydra + overrides: + hydra: + - hydra.mode=RUN + task: + - inference.output_prefix=./ + - inference.input_pdb=C:\Users\adminisiterlator\Desktop\fordesignpdb\4kn0.pdb + - contigmap.contigs=[A24-226/0 250-250] + - ppi.hotspot_res=[A97,A98,A116,A118,A119,A151,A153,A154,A156,A190] + - inference.output_prefix=testoutputs/binder_test + - inference.num_designs=1 + - inference.ckpt_override_path=models/Complex_beta_ckpt.pt + job: + name: run_inference + chdir: null + override_dirname: contigmap.contigs=[A24-226/0 250-250],inference.ckpt_override_path=models/Complex_beta_ckpt.pt,inference.input_pdb=C:\Users\adminisiterlator\Desktop\fordesignpdb\4kn0.pdb,inference.num_designs=1,inference.output_prefix=./,inference.output_prefix=testoutputs/binder_test,ppi.hotspot_res=[A97,A98,A116,A118,A119,A151,A153,A154,A156,A190] + id: ??? + num: ??? + config_name: base + env_set: {} + env_copy: [] + config: + override_dirname: + kv_sep: '=' + item_sep: ',' + exclude_keys: [] + runtime: + version: 1.3.2 + version_base: '1.3' + cwd: C:\Users\adminisiterlator\RFdiffusion + config_sources: + - path: hydra.conf + schema: pkg + provider: hydra + - path: C:\Users\adminisiterlator\RFdiffusion\config\inference + schema: file + provider: main + - path: '' + schema: structured + provider: schema + output_dir: C:\Users\adminisiterlator\RFdiffusion\outputs\2024-04-16\20-54-31 + choices: + hydra/env: default + hydra/callbacks: null + hydra/job_logging: default + hydra/hydra_logging: default + hydra/hydra_help: default + hydra/help: default + hydra/sweeper: basic + hydra/launcher: basic + hydra/output: default + verbose: false diff --git a/RFdiffusion/outputs/2024-04-16/20-54-31/.hydra/overrides.yaml b/RFdiffusion/outputs/2024-04-16/20-54-31/.hydra/overrides.yaml new file mode 100644 index 0000000000000000000000000000000000000000..e7eeb25ffbdd908c21f9c411f76dcc36290f918c --- /dev/null +++ b/RFdiffusion/outputs/2024-04-16/20-54-31/.hydra/overrides.yaml @@ -0,0 +1,7 @@ +- inference.output_prefix=./ +- inference.input_pdb=C:\Users\adminisiterlator\Desktop\fordesignpdb\4kn0.pdb +- contigmap.contigs=[A24-226/0 250-250] +- ppi.hotspot_res=[A97,A98,A116,A118,A119,A151,A153,A154,A156,A190] +- inference.output_prefix=testoutputs/binder_test +- inference.num_designs=1 +- inference.ckpt_override_path=models/Complex_beta_ckpt.pt diff --git a/RFdiffusion/outputs/2024-04-16/20-54-31/run_inference.log b/RFdiffusion/outputs/2024-04-16/20-54-31/run_inference.log new file mode 100644 index 0000000000000000000000000000000000000000..1a4f3338eee3125ad7d1f460abb78e38f8a3fe2f --- /dev/null +++ b/RFdiffusion/outputs/2024-04-16/20-54-31/run_inference.log @@ -0,0 +1,106 @@ +[2024-04-16 20:54:31,770][__main__][INFO] - Found GPU with device_name NVIDIA GeForce RTX 2060. Will run RFdiffusion on NVIDIA GeForce RTX 2060 +[2024-04-16 20:54:31,778][rfdiffusion.inference.model_runners][INFO] - Reading checkpoint from models/Complex_beta_ckpt.pt +[2024-04-16 20:54:36,131][rfdiffusion.inference.model_runners][INFO] - Loading checkpoint. +[2024-04-16 20:54:42,315][rfdiffusion.diffusion][INFO] - Using cached IGSO3. +[2024-04-16 20:54:42,339][__main__][INFO] - Making design testoutputs/binder_test_0 +[2024-04-16 20:54:42,359][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A24-226/0 250-250'] +[2024-04-16 20:54:42,426][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 20:54:57,971][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-16 20:54:57,978][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 20:55:07,428][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.12 +[2024-04-16 20:55:07,436][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 20:55:16,923][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-16 20:55:16,927][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 20:55:26,409][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.12 +[2024-04-16 20:55:26,416][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 20:55:35,911][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.12 +[2024-04-16 20:55:35,920][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 20:55:45,421][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.12 +[2024-04-16 20:55:45,428][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 20:55:54,962][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.12 +[2024-04-16 20:55:54,968][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 20:56:04,507][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.12 +[2024-04-16 20:56:04,512][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 20:56:14,071][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.12 +[2024-04-16 20:56:14,077][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 20:56:23,627][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.12 +[2024-04-16 20:56:23,633][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 20:56:33,300][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.12 +[2024-04-16 20:56:33,306][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 20:56:43,793][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.12 +[2024-04-16 20:56:43,799][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 20:56:54,290][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.12 +[2024-04-16 20:56:54,298][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 20:57:04,854][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.12 +[2024-04-16 20:57:04,858][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 20:57:15,327][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.12 +[2024-04-16 20:57:15,334][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 20:57:25,828][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.12 +[2024-04-16 20:57:25,835][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 20:57:36,329][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.12 +[2024-04-16 20:57:36,335][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 20:57:46,922][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.12 +[2024-04-16 20:57:46,929][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 20:57:57,536][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.12 +[2024-04-16 20:57:57,541][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 20:58:08,212][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.12 +[2024-04-16 20:58:08,217][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 20:58:18,881][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.12 +[2024-04-16 20:58:18,905][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 20:58:29,600][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.12 +[2024-04-16 20:58:29,608][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 20:58:40,164][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.12 +[2024-04-16 20:58:40,170][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 20:58:50,725][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.12 +[2024-04-16 20:58:50,732][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 20:59:01,271][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.12 +[2024-04-16 20:59:01,277][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 20:59:11,835][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.12 +[2024-04-16 20:59:11,842][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 20:59:22,387][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.12 +[2024-04-16 20:59:22,393][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 20:59:32,933][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.12 +[2024-04-16 20:59:32,940][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 20:59:43,483][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.12 +[2024-04-16 20:59:43,492][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 20:59:54,094][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.12 +[2024-04-16 20:59:54,100][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:00:04,680][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.12 +[2024-04-16 21:00:04,685][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:00:15,218][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.12 +[2024-04-16 21:00:15,225][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:00:25,794][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:00:25,801][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:00:36,368][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:00:36,374][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:00:46,898][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:00:46,905][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:00:57,473][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:00:57,480][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:01:08,003][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:01:08,010][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:01:18,552][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:01:18,558][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:01:29,115][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:01:29,121][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:01:39,637][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:01:39,642][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:01:50,141][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:01:50,149][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:02:00,696][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:02:00,705][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:02:11,241][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:02:11,246][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:02:21,767][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:02:21,774][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:02:32,295][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:02:32,301][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:02:42,825][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:02:42,833][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:02:53,338][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:02:53,344][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:03:03,855][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:03:03,862][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:03:14,387][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:03:14,393][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:03:35,877][__main__][INFO] - Finished design in 8.89 minutes diff --git a/RFdiffusion/outputs/2024-04-16/21-07-28/.hydra/config.yaml b/RFdiffusion/outputs/2024-04-16/21-07-28/.hydra/config.yaml new file mode 100644 index 0000000000000000000000000000000000000000..1526008e4821f754c18c4fd5058770b7ad50dfe4 --- /dev/null +++ b/RFdiffusion/outputs/2024-04-16/21-07-28/.hydra/config.yaml @@ -0,0 +1,135 @@ +inference: + input_pdb: C:\Users\adminisiterlator\Desktop\fordesignpdb\4kn0.pdb + num_designs: 1 + design_startnum: 0 + ckpt_override_path: models/Complex_beta_ckpt.pt + symmetry: null + recenter: true + radius: 10.0 + model_only_neighbors: false + output_prefix: testoutputs/binder_test + write_trajectory: true + scaffold_guided: false + model_runner: SelfConditioning + cautious: true + align_motif: true + symmetric_self_cond: true + final_step: 1 + deterministic: false + trb_save_ckpt_path: null + schedule_directory_path: null + model_directory_path: null +contigmap: + contigs: + - A24-226/0 100-100 + inpaint_seq: null + provide_seq: null + length: null +model: + n_extra_block: 4 + n_main_block: 32 + n_ref_block: 4 + d_msa: 256 + d_msa_full: 64 + d_pair: 128 + d_templ: 64 + n_head_msa: 8 + n_head_pair: 4 + n_head_templ: 4 + d_hidden: 32 + d_hidden_templ: 32 + p_drop: 0.15 + SE3_param_full: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 8 + l0_out_features: 8 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 32 + SE3_param_topk: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 64 + l0_out_features: 64 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 64 + freeze_track_motif: false + use_motif_timestep: false +diffuser: + T: 50 + b_0: 0.01 + b_T: 0.07 + schedule_type: linear + so3_type: igso3 + crd_scale: 0.25 + partial_T: null + so3_schedule_type: linear + min_b: 1.5 + max_b: 2.5 + min_sigma: 0.02 + max_sigma: 1.5 +denoiser: + noise_scale_ca: 1 + final_noise_scale_ca: 1 + ca_noise_schedule_type: constant + noise_scale_frame: 1 + final_noise_scale_frame: 1 + frame_noise_schedule_type: constant +ppi: + hotspot_res: + - A97 + - A98 + - A116 + - A118 + - A119 + - A151 + - A153 + - A154 + - A156 + - A190 +potentials: + guiding_potentials: null + guide_scale: 10 + guide_decay: constant + olig_inter_all: null + olig_intra_all: null + olig_custom_contact: null + substrate: null +contig_settings: + ref_idx: null + hal_idx: null + idx_rf: null + inpaint_seq_tensor: null +preprocess: + sidechain_input: false + motif_sidechain_input: true + d_t1d: 22 + d_t2d: 44 + prob_self_cond: 0.0 + str_self_cond: false + predict_previous: false +logging: + inputs: false +scaffoldguided: + scaffoldguided: false + target_pdb: false + target_path: null + scaffold_list: null + scaffold_dir: null + sampled_insertion: 0 + sampled_N: 0 + sampled_C: 0 + ss_mask: 0 + systematic: false + target_ss: null + target_adj: null + mask_loops: true + contig_crop: null diff --git a/RFdiffusion/outputs/2024-04-16/21-07-28/.hydra/hydra.yaml b/RFdiffusion/outputs/2024-04-16/21-07-28/.hydra/hydra.yaml new file mode 100644 index 0000000000000000000000000000000000000000..4908dccce9226a30bf683decca2fd0f987401261 --- /dev/null +++ b/RFdiffusion/outputs/2024-04-16/21-07-28/.hydra/hydra.yaml @@ -0,0 +1,161 @@ +hydra: + run: + dir: outputs/${now:%Y-%m-%d}/${now:%H-%M-%S} + sweep: + dir: multirun/${now:%Y-%m-%d}/${now:%H-%M-%S} + subdir: ${hydra.job.num} + launcher: + _target_: hydra._internal.core_plugins.basic_launcher.BasicLauncher + sweeper: + _target_: hydra._internal.core_plugins.basic_sweeper.BasicSweeper + max_batch_size: null + params: null + help: + app_name: ${hydra.job.name} + header: '${hydra.help.app_name} is powered by Hydra. + + ' + footer: 'Powered by Hydra (https://hydra.cc) + + Use --hydra-help to view Hydra specific help + + ' + template: '${hydra.help.header} + + == Configuration groups == + + Compose your configuration from those groups (group=option) + + + $APP_CONFIG_GROUPS + + + == Config == + + Override anything in the config (foo.bar=value) + + + $CONFIG + + + ${hydra.help.footer} + + ' + hydra_help: + template: 'Hydra (${hydra.runtime.version}) + + See https://hydra.cc for more info. + + + == Flags == + + $FLAGS_HELP + + + == Configuration groups == + + Compose your configuration from those groups (For example, append hydra/job_logging=disabled + to command line) + + + $HYDRA_CONFIG_GROUPS + + + Use ''--cfg hydra'' to Show the Hydra config. + + ' + hydra_help: ??? + hydra_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][HYDRA] %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + root: + level: INFO + handlers: + - console + loggers: + logging_example: + level: DEBUG + disable_existing_loggers: false + job_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][%(name)s][%(levelname)s] - %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + file: + class: logging.FileHandler + formatter: simple + filename: ${hydra.runtime.output_dir}/${hydra.job.name}.log + root: + level: INFO + handlers: + - console + - file + disable_existing_loggers: false + env: {} + mode: RUN + searchpath: [] + callbacks: {} + output_subdir: .hydra + overrides: + hydra: + - hydra.mode=RUN + task: + - inference.output_prefix=./ + - inference.input_pdb=C:\Users\adminisiterlator\Desktop\fordesignpdb\4kn0.pdb + - contigmap.contigs=[A24-226/0 100-100] + - ppi.hotspot_res=[A97,A98,A116,A118,A119,A151,A153,A154,A156,A190] + - inference.output_prefix=testoutputs/binder_test + - inference.num_designs=1 + - inference.ckpt_override_path=models/Complex_beta_ckpt.pt + job: + name: run_inference + chdir: null + override_dirname: contigmap.contigs=[A24-226/0 100-100],inference.ckpt_override_path=models/Complex_beta_ckpt.pt,inference.input_pdb=C:\Users\adminisiterlator\Desktop\fordesignpdb\4kn0.pdb,inference.num_designs=1,inference.output_prefix=./,inference.output_prefix=testoutputs/binder_test,ppi.hotspot_res=[A97,A98,A116,A118,A119,A151,A153,A154,A156,A190] + id: ??? + num: ??? + config_name: base + env_set: {} + env_copy: [] + config: + override_dirname: + kv_sep: '=' + item_sep: ',' + exclude_keys: [] + runtime: + version: 1.3.2 + version_base: '1.3' + cwd: C:\Users\adminisiterlator\RFdiffusion + config_sources: + - path: hydra.conf + schema: pkg + provider: hydra + - path: C:\Users\adminisiterlator\RFdiffusion\config\inference + schema: file + provider: main + - path: '' + schema: structured + provider: schema + output_dir: C:\Users\adminisiterlator\RFdiffusion\outputs\2024-04-16\21-07-28 + choices: + hydra/env: default + hydra/callbacks: null + hydra/job_logging: default + hydra/hydra_logging: default + hydra/hydra_help: default + hydra/help: default + hydra/sweeper: basic + hydra/launcher: basic + hydra/output: default + verbose: false diff --git a/RFdiffusion/outputs/2024-04-16/21-07-28/.hydra/overrides.yaml b/RFdiffusion/outputs/2024-04-16/21-07-28/.hydra/overrides.yaml new file mode 100644 index 0000000000000000000000000000000000000000..ef6fa1e59a95a9b857c7af05987e1be353fba9a4 --- /dev/null +++ b/RFdiffusion/outputs/2024-04-16/21-07-28/.hydra/overrides.yaml @@ -0,0 +1,7 @@ +- inference.output_prefix=./ +- inference.input_pdb=C:\Users\adminisiterlator\Desktop\fordesignpdb\4kn0.pdb +- contigmap.contigs=[A24-226/0 100-100] +- ppi.hotspot_res=[A97,A98,A116,A118,A119,A151,A153,A154,A156,A190] +- inference.output_prefix=testoutputs/binder_test +- inference.num_designs=1 +- inference.ckpt_override_path=models/Complex_beta_ckpt.pt diff --git a/RFdiffusion/outputs/2024-04-16/21-07-28/run_inference.log b/RFdiffusion/outputs/2024-04-16/21-07-28/run_inference.log new file mode 100644 index 0000000000000000000000000000000000000000..cf9d1e2a000f1aa219e79a1fab2df8aa5012159c --- /dev/null +++ b/RFdiffusion/outputs/2024-04-16/21-07-28/run_inference.log @@ -0,0 +1,6 @@ +[2024-04-16 21:07:28,686][__main__][INFO] - Found GPU with device_name NVIDIA GeForce RTX 2060. Will run RFdiffusion on NVIDIA GeForce RTX 2060 +[2024-04-16 21:07:28,689][rfdiffusion.inference.model_runners][INFO] - Reading checkpoint from models/Complex_beta_ckpt.pt +[2024-04-16 21:07:32,920][rfdiffusion.inference.model_runners][INFO] - Loading checkpoint. +[2024-04-16 21:07:38,838][rfdiffusion.diffusion][INFO] - Using cached IGSO3. +[2024-04-16 21:07:38,866][__main__][INFO] - Making design testoutputs/binder_test_0 +[2024-04-16 21:07:38,867][__main__][INFO] - (cautious mode) Skipping this design because testoutputs/binder_test_0.pdb already exists. diff --git a/RFdiffusion/outputs/2024-04-16/21-08-14/.hydra/config.yaml b/RFdiffusion/outputs/2024-04-16/21-08-14/.hydra/config.yaml new file mode 100644 index 0000000000000000000000000000000000000000..1526008e4821f754c18c4fd5058770b7ad50dfe4 --- /dev/null +++ b/RFdiffusion/outputs/2024-04-16/21-08-14/.hydra/config.yaml @@ -0,0 +1,135 @@ +inference: + input_pdb: C:\Users\adminisiterlator\Desktop\fordesignpdb\4kn0.pdb + num_designs: 1 + design_startnum: 0 + ckpt_override_path: models/Complex_beta_ckpt.pt + symmetry: null + recenter: true + radius: 10.0 + model_only_neighbors: false + output_prefix: testoutputs/binder_test + write_trajectory: true + scaffold_guided: false + model_runner: SelfConditioning + cautious: true + align_motif: true + symmetric_self_cond: true + final_step: 1 + deterministic: false + trb_save_ckpt_path: null + schedule_directory_path: null + model_directory_path: null +contigmap: + contigs: + - A24-226/0 100-100 + inpaint_seq: null + provide_seq: null + length: null +model: + n_extra_block: 4 + n_main_block: 32 + n_ref_block: 4 + d_msa: 256 + d_msa_full: 64 + d_pair: 128 + d_templ: 64 + n_head_msa: 8 + n_head_pair: 4 + n_head_templ: 4 + d_hidden: 32 + d_hidden_templ: 32 + p_drop: 0.15 + SE3_param_full: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 8 + l0_out_features: 8 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 32 + SE3_param_topk: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 64 + l0_out_features: 64 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 64 + freeze_track_motif: false + use_motif_timestep: false +diffuser: + T: 50 + b_0: 0.01 + b_T: 0.07 + schedule_type: linear + so3_type: igso3 + crd_scale: 0.25 + partial_T: null + so3_schedule_type: linear + min_b: 1.5 + max_b: 2.5 + min_sigma: 0.02 + max_sigma: 1.5 +denoiser: + noise_scale_ca: 1 + final_noise_scale_ca: 1 + ca_noise_schedule_type: constant + noise_scale_frame: 1 + final_noise_scale_frame: 1 + frame_noise_schedule_type: constant +ppi: + hotspot_res: + - A97 + - A98 + - A116 + - A118 + - A119 + - A151 + - A153 + - A154 + - A156 + - A190 +potentials: + guiding_potentials: null + guide_scale: 10 + guide_decay: constant + olig_inter_all: null + olig_intra_all: null + olig_custom_contact: null + substrate: null +contig_settings: + ref_idx: null + hal_idx: null + idx_rf: null + inpaint_seq_tensor: null +preprocess: + sidechain_input: false + motif_sidechain_input: true + d_t1d: 22 + d_t2d: 44 + prob_self_cond: 0.0 + str_self_cond: false + predict_previous: false +logging: + inputs: false +scaffoldguided: + scaffoldguided: false + target_pdb: false + target_path: null + scaffold_list: null + scaffold_dir: null + sampled_insertion: 0 + sampled_N: 0 + sampled_C: 0 + ss_mask: 0 + systematic: false + target_ss: null + target_adj: null + mask_loops: true + contig_crop: null diff --git a/RFdiffusion/outputs/2024-04-16/21-08-14/.hydra/hydra.yaml b/RFdiffusion/outputs/2024-04-16/21-08-14/.hydra/hydra.yaml new file mode 100644 index 0000000000000000000000000000000000000000..dde7bfcb6b15a18bcf81fc6265c9eea8468fe4d5 --- /dev/null +++ b/RFdiffusion/outputs/2024-04-16/21-08-14/.hydra/hydra.yaml @@ -0,0 +1,161 @@ +hydra: + run: + dir: outputs/${now:%Y-%m-%d}/${now:%H-%M-%S} + sweep: + dir: multirun/${now:%Y-%m-%d}/${now:%H-%M-%S} + subdir: ${hydra.job.num} + launcher: + _target_: hydra._internal.core_plugins.basic_launcher.BasicLauncher + sweeper: + _target_: hydra._internal.core_plugins.basic_sweeper.BasicSweeper + max_batch_size: null + params: null + help: + app_name: ${hydra.job.name} + header: '${hydra.help.app_name} is powered by Hydra. + + ' + footer: 'Powered by Hydra (https://hydra.cc) + + Use --hydra-help to view Hydra specific help + + ' + template: '${hydra.help.header} + + == Configuration groups == + + Compose your configuration from those groups (group=option) + + + $APP_CONFIG_GROUPS + + + == Config == + + Override anything in the config (foo.bar=value) + + + $CONFIG + + + ${hydra.help.footer} + + ' + hydra_help: + template: 'Hydra (${hydra.runtime.version}) + + See https://hydra.cc for more info. + + + == Flags == + + $FLAGS_HELP + + + == Configuration groups == + + Compose your configuration from those groups (For example, append hydra/job_logging=disabled + to command line) + + + $HYDRA_CONFIG_GROUPS + + + Use ''--cfg hydra'' to Show the Hydra config. + + ' + hydra_help: ??? + hydra_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][HYDRA] %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + root: + level: INFO + handlers: + - console + loggers: + logging_example: + level: DEBUG + disable_existing_loggers: false + job_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][%(name)s][%(levelname)s] - %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + file: + class: logging.FileHandler + formatter: simple + filename: ${hydra.runtime.output_dir}/${hydra.job.name}.log + root: + level: INFO + handlers: + - console + - file + disable_existing_loggers: false + env: {} + mode: RUN + searchpath: [] + callbacks: {} + output_subdir: .hydra + overrides: + hydra: + - hydra.mode=RUN + task: + - inference.output_prefix=./ + - inference.input_pdb=C:\Users\adminisiterlator\Desktop\fordesignpdb\4kn0.pdb + - contigmap.contigs=[A24-226/0 100-100] + - ppi.hotspot_res=[A97,A98,A116,A118,A119,A151,A153,A154,A156,A190] + - inference.output_prefix=testoutputs/binder_test + - inference.num_designs=1 + - inference.ckpt_override_path=models/Complex_beta_ckpt.pt + job: + name: run_inference + chdir: null + override_dirname: contigmap.contigs=[A24-226/0 100-100],inference.ckpt_override_path=models/Complex_beta_ckpt.pt,inference.input_pdb=C:\Users\adminisiterlator\Desktop\fordesignpdb\4kn0.pdb,inference.num_designs=1,inference.output_prefix=./,inference.output_prefix=testoutputs/binder_test,ppi.hotspot_res=[A97,A98,A116,A118,A119,A151,A153,A154,A156,A190] + id: ??? + num: ??? + config_name: base + env_set: {} + env_copy: [] + config: + override_dirname: + kv_sep: '=' + item_sep: ',' + exclude_keys: [] + runtime: + version: 1.3.2 + version_base: '1.3' + cwd: C:\Users\adminisiterlator\RFdiffusion + config_sources: + - path: hydra.conf + schema: pkg + provider: hydra + - path: C:\Users\adminisiterlator\RFdiffusion\config\inference + schema: file + provider: main + - path: '' + schema: structured + provider: schema + output_dir: C:\Users\adminisiterlator\RFdiffusion\outputs\2024-04-16\21-08-14 + choices: + hydra/env: default + hydra/callbacks: null + hydra/job_logging: default + hydra/hydra_logging: default + hydra/hydra_help: default + hydra/help: default + hydra/sweeper: basic + hydra/launcher: basic + hydra/output: default + verbose: false diff --git a/RFdiffusion/outputs/2024-04-16/21-08-14/.hydra/overrides.yaml b/RFdiffusion/outputs/2024-04-16/21-08-14/.hydra/overrides.yaml new file mode 100644 index 0000000000000000000000000000000000000000..ef6fa1e59a95a9b857c7af05987e1be353fba9a4 --- /dev/null +++ b/RFdiffusion/outputs/2024-04-16/21-08-14/.hydra/overrides.yaml @@ -0,0 +1,7 @@ +- inference.output_prefix=./ +- inference.input_pdb=C:\Users\adminisiterlator\Desktop\fordesignpdb\4kn0.pdb +- contigmap.contigs=[A24-226/0 100-100] +- ppi.hotspot_res=[A97,A98,A116,A118,A119,A151,A153,A154,A156,A190] +- inference.output_prefix=testoutputs/binder_test +- inference.num_designs=1 +- inference.ckpt_override_path=models/Complex_beta_ckpt.pt diff --git a/RFdiffusion/outputs/2024-04-16/21-08-14/run_inference.log b/RFdiffusion/outputs/2024-04-16/21-08-14/run_inference.log new file mode 100644 index 0000000000000000000000000000000000000000..91bc3663db1f652be6a50205082dc88cf0c65d48 --- /dev/null +++ b/RFdiffusion/outputs/2024-04-16/21-08-14/run_inference.log @@ -0,0 +1,106 @@ +[2024-04-16 21:08:14,944][__main__][INFO] - Found GPU with device_name NVIDIA GeForce RTX 2060. Will run RFdiffusion on NVIDIA GeForce RTX 2060 +[2024-04-16 21:08:14,946][rfdiffusion.inference.model_runners][INFO] - Reading checkpoint from models/Complex_beta_ckpt.pt +[2024-04-16 21:08:19,223][rfdiffusion.inference.model_runners][INFO] - Loading checkpoint. +[2024-04-16 21:08:25,121][rfdiffusion.diffusion][INFO] - Using cached IGSO3. +[2024-04-16 21:08:25,152][__main__][INFO] - Making design testoutputs/binder_test_0 +[2024-04-16 21:08:25,177][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A24-226/0 100-100'] +[2024-04-16 21:08:25,247][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:08:35,479][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.12 +[2024-04-16 21:08:35,486][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:08:39,847][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:08:39,852][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:08:44,141][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:08:44,147][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:08:48,389][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:08:48,394][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:08:52,619][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:08:52,625][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:08:56,858][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:08:56,862][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:09:01,098][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:09:01,102][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:09:05,338][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:09:05,342][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:09:09,598][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:09:09,604][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:09:13,840][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:09:13,845][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:09:18,108][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:09:18,113][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:09:22,376][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:09:22,380][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:09:26,676][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:09:26,681][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:09:30,942][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:09:30,947][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:09:35,234][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:09:35,238][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:09:39,533][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.12 +[2024-04-16 21:09:39,538][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:09:43,834][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.12 +[2024-04-16 21:09:43,839][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:09:48,263][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.12 +[2024-04-16 21:09:48,269][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:09:53,373][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.12 +[2024-04-16 21:09:53,378][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:09:58,349][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.12 +[2024-04-16 21:09:58,355][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:10:03,473][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.12 +[2024-04-16 21:10:03,479][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:10:08,467][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.12 +[2024-04-16 21:10:08,473][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:10:13,543][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.12 +[2024-04-16 21:10:13,549][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:10:18,523][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:10:18,528][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:10:23,560][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.12 +[2024-04-16 21:10:23,565][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:10:28,535][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.12 +[2024-04-16 21:10:28,541][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:10:33,560][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.12 +[2024-04-16 21:10:33,566][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:10:38,550][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.12 +[2024-04-16 21:10:38,556][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:10:43,620][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:10:43,625][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:10:48,607][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.12 +[2024-04-16 21:10:48,611][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:10:53,651][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:10:53,656][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:10:58,629][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.12 +[2024-04-16 21:10:58,634][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:11:03,686][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:11:03,692][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:11:08,664][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:11:08,669][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:11:13,718][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:11:13,722][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:11:18,697][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.12 +[2024-04-16 21:11:18,701][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:11:23,732][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:11:23,738][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:11:28,728][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:11:28,731][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:11:33,762][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:11:33,767][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:11:38,737][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:11:38,746][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:11:43,823][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:11:43,830][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:11:48,822][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:11:48,827][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:11:53,862][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:11:53,867][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:11:58,870][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:11:58,875][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:12:03,919][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:12:03,924][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:12:08,909][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:12:08,917][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:12:14,001][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:12:14,005][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:12:19,010][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:12:19,014][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:12:24,079][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:12:24,083][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:12:38,119][__main__][INFO] - Finished design in 4.22 minutes diff --git a/RFdiffusion/outputs/2024-04-16/21-15-13/.hydra/config.yaml b/RFdiffusion/outputs/2024-04-16/21-15-13/.hydra/config.yaml new file mode 100644 index 0000000000000000000000000000000000000000..eca0a87872060fd84230b7ffeff54159404f2ec8 --- /dev/null +++ b/RFdiffusion/outputs/2024-04-16/21-15-13/.hydra/config.yaml @@ -0,0 +1,135 @@ +inference: + input_pdb: C:\Users\adminisiterlator\Desktop\fordesignpdb\4kn0.pdb + num_designs: 10 + design_startnum: 0 + ckpt_override_path: models/Complex_beta_ckpt.pt + symmetry: null + recenter: true + radius: 10.0 + model_only_neighbors: false + output_prefix: testoutputs/binder_test + write_trajectory: true + scaffold_guided: false + model_runner: SelfConditioning + cautious: true + align_motif: true + symmetric_self_cond: true + final_step: 1 + deterministic: false + trb_save_ckpt_path: null + schedule_directory_path: null + model_directory_path: null +contigmap: + contigs: + - A24-226/0 100-100 + inpaint_seq: null + provide_seq: null + length: null +model: + n_extra_block: 4 + n_main_block: 32 + n_ref_block: 4 + d_msa: 256 + d_msa_full: 64 + d_pair: 128 + d_templ: 64 + n_head_msa: 8 + n_head_pair: 4 + n_head_templ: 4 + d_hidden: 32 + d_hidden_templ: 32 + p_drop: 0.15 + SE3_param_full: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 8 + l0_out_features: 8 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 32 + SE3_param_topk: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 64 + l0_out_features: 64 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 64 + freeze_track_motif: false + use_motif_timestep: false +diffuser: + T: 50 + b_0: 0.01 + b_T: 0.07 + schedule_type: linear + so3_type: igso3 + crd_scale: 0.25 + partial_T: null + so3_schedule_type: linear + min_b: 1.5 + max_b: 2.5 + min_sigma: 0.02 + max_sigma: 1.5 +denoiser: + noise_scale_ca: 1 + final_noise_scale_ca: 1 + ca_noise_schedule_type: constant + noise_scale_frame: 1 + final_noise_scale_frame: 1 + frame_noise_schedule_type: constant +ppi: + hotspot_res: + - A97 + - A98 + - A116 + - A118 + - A119 + - A151 + - A153 + - A154 + - A156 + - A190 +potentials: + guiding_potentials: null + guide_scale: 10 + guide_decay: constant + olig_inter_all: null + olig_intra_all: null + olig_custom_contact: null + substrate: null +contig_settings: + ref_idx: null + hal_idx: null + idx_rf: null + inpaint_seq_tensor: null +preprocess: + sidechain_input: false + motif_sidechain_input: true + d_t1d: 22 + d_t2d: 44 + prob_self_cond: 0.0 + str_self_cond: false + predict_previous: false +logging: + inputs: false +scaffoldguided: + scaffoldguided: false + target_pdb: false + target_path: null + scaffold_list: null + scaffold_dir: null + sampled_insertion: 0 + sampled_N: 0 + sampled_C: 0 + ss_mask: 0 + systematic: false + target_ss: null + target_adj: null + mask_loops: true + contig_crop: null diff --git a/RFdiffusion/outputs/2024-04-16/21-15-13/.hydra/hydra.yaml b/RFdiffusion/outputs/2024-04-16/21-15-13/.hydra/hydra.yaml new file mode 100644 index 0000000000000000000000000000000000000000..3bf74a2b9bdb3c2c8a72740ece09555494edc53b --- /dev/null +++ b/RFdiffusion/outputs/2024-04-16/21-15-13/.hydra/hydra.yaml @@ -0,0 +1,161 @@ +hydra: + run: + dir: outputs/${now:%Y-%m-%d}/${now:%H-%M-%S} + sweep: + dir: multirun/${now:%Y-%m-%d}/${now:%H-%M-%S} + subdir: ${hydra.job.num} + launcher: + _target_: hydra._internal.core_plugins.basic_launcher.BasicLauncher + sweeper: + _target_: hydra._internal.core_plugins.basic_sweeper.BasicSweeper + max_batch_size: null + params: null + help: + app_name: ${hydra.job.name} + header: '${hydra.help.app_name} is powered by Hydra. + + ' + footer: 'Powered by Hydra (https://hydra.cc) + + Use --hydra-help to view Hydra specific help + + ' + template: '${hydra.help.header} + + == Configuration groups == + + Compose your configuration from those groups (group=option) + + + $APP_CONFIG_GROUPS + + + == Config == + + Override anything in the config (foo.bar=value) + + + $CONFIG + + + ${hydra.help.footer} + + ' + hydra_help: + template: 'Hydra (${hydra.runtime.version}) + + See https://hydra.cc for more info. + + + == Flags == + + $FLAGS_HELP + + + == Configuration groups == + + Compose your configuration from those groups (For example, append hydra/job_logging=disabled + to command line) + + + $HYDRA_CONFIG_GROUPS + + + Use ''--cfg hydra'' to Show the Hydra config. + + ' + hydra_help: ??? + hydra_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][HYDRA] %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + root: + level: INFO + handlers: + - console + loggers: + logging_example: + level: DEBUG + disable_existing_loggers: false + job_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][%(name)s][%(levelname)s] - %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + file: + class: logging.FileHandler + formatter: simple + filename: ${hydra.runtime.output_dir}/${hydra.job.name}.log + root: + level: INFO + handlers: + - console + - file + disable_existing_loggers: false + env: {} + mode: RUN + searchpath: [] + callbacks: {} + output_subdir: .hydra + overrides: + hydra: + - hydra.mode=RUN + task: + - inference.output_prefix=./ + - inference.input_pdb=C:\Users\adminisiterlator\Desktop\fordesignpdb\4kn0.pdb + - contigmap.contigs=[A24-226/0 100-100] + - ppi.hotspot_res=[A97,A98,A116,A118,A119,A151,A153,A154,A156,A190] + - inference.output_prefix=testoutputs/binder_test + - inference.num_designs=10 + - inference.ckpt_override_path=models/Complex_beta_ckpt.pt + job: + name: run_inference + chdir: null + override_dirname: contigmap.contigs=[A24-226/0 100-100],inference.ckpt_override_path=models/Complex_beta_ckpt.pt,inference.input_pdb=C:\Users\adminisiterlator\Desktop\fordesignpdb\4kn0.pdb,inference.num_designs=10,inference.output_prefix=./,inference.output_prefix=testoutputs/binder_test,ppi.hotspot_res=[A97,A98,A116,A118,A119,A151,A153,A154,A156,A190] + id: ??? + num: ??? + config_name: base + env_set: {} + env_copy: [] + config: + override_dirname: + kv_sep: '=' + item_sep: ',' + exclude_keys: [] + runtime: + version: 1.3.2 + version_base: '1.3' + cwd: C:\Users\adminisiterlator\RFdiffusion + config_sources: + - path: hydra.conf + schema: pkg + provider: hydra + - path: C:\Users\adminisiterlator\RFdiffusion\config\inference + schema: file + provider: main + - path: '' + schema: structured + provider: schema + output_dir: C:\Users\adminisiterlator\RFdiffusion\outputs\2024-04-16\21-15-13 + choices: + hydra/env: default + hydra/callbacks: null + hydra/job_logging: default + hydra/hydra_logging: default + hydra/hydra_help: default + hydra/help: default + hydra/sweeper: basic + hydra/launcher: basic + hydra/output: default + verbose: false diff --git a/RFdiffusion/outputs/2024-04-16/21-15-13/.hydra/overrides.yaml b/RFdiffusion/outputs/2024-04-16/21-15-13/.hydra/overrides.yaml new file mode 100644 index 0000000000000000000000000000000000000000..5108e135a2a8114420d1c1ef11284c6c5ece6a1b --- /dev/null +++ b/RFdiffusion/outputs/2024-04-16/21-15-13/.hydra/overrides.yaml @@ -0,0 +1,7 @@ +- inference.output_prefix=./ +- inference.input_pdb=C:\Users\adminisiterlator\Desktop\fordesignpdb\4kn0.pdb +- contigmap.contigs=[A24-226/0 100-100] +- ppi.hotspot_res=[A97,A98,A116,A118,A119,A151,A153,A154,A156,A190] +- inference.output_prefix=testoutputs/binder_test +- inference.num_designs=10 +- inference.ckpt_override_path=models/Complex_beta_ckpt.pt diff --git a/RFdiffusion/outputs/2024-04-16/21-15-13/run_inference.log b/RFdiffusion/outputs/2024-04-16/21-15-13/run_inference.log new file mode 100644 index 0000000000000000000000000000000000000000..b384bfca096ec9eaa23f44462779ddd81c83e3f7 --- /dev/null +++ b/RFdiffusion/outputs/2024-04-16/21-15-13/run_inference.log @@ -0,0 +1,1024 @@ +[2024-04-16 21:15:13,083][__main__][INFO] - Found GPU with device_name NVIDIA GeForce RTX 2060. Will run RFdiffusion on NVIDIA GeForce RTX 2060 +[2024-04-16 21:15:13,085][rfdiffusion.inference.model_runners][INFO] - Reading checkpoint from models/Complex_beta_ckpt.pt +[2024-04-16 21:15:17,367][rfdiffusion.inference.model_runners][INFO] - Loading checkpoint. +[2024-04-16 21:15:23,246][rfdiffusion.diffusion][INFO] - Using cached IGSO3. +[2024-04-16 21:15:23,275][__main__][INFO] - Making design testoutputs/binder_test_0 +[2024-04-16 21:15:23,293][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A24-226/0 100-100'] +[2024-04-16 21:15:23,350][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:15:32,667][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.12 +[2024-04-16 21:15:32,672][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:15:37,792][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:15:37,797][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:15:42,096][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:15:42,101][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:15:46,328][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:15:46,333][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:15:50,582][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:15:50,587][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:15:54,841][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:15:54,848][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:15:59,077][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:15:59,082][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:16:03,334][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:16:03,340][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:16:07,604][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:16:07,609][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:16:11,874][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:16:11,879][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:16:16,130][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:16:16,136][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:16:20,383][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:16:20,389][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:16:24,704][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:16:24,710][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:16:29,017][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:16:29,023][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:16:33,269][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:16:33,274][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:16:37,552][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:16:37,556][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:16:41,871][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:16:41,875][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:16:46,196][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:16:46,202][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:16:50,493][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:16:50,498][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:16:54,804][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:16:54,809][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:16:59,107][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:16:59,111][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:17:03,387][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:17:03,392][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:17:07,700][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:17:07,705][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:17:12,009][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:17:12,014][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:17:16,348][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:17:16,354][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:17:20,837][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:17:20,842][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:17:25,245][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:17:25,250][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:17:29,547][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:17:29,552][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:17:33,904][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:17:33,910][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:17:38,324][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:17:38,329][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:17:42,641][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:17:42,646][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:17:46,964][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:17:46,969][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:17:51,267][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:17:51,273][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:17:55,600][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:17:55,605][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:17:59,916][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:17:59,923][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:18:04,251][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:18:04,257][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:18:08,599][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:18:08,605][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:18:12,905][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:18:12,911][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:18:17,225][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:18:17,232][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:18:21,551][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:18:21,558][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:18:25,876][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:18:25,883][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:18:30,178][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:18:30,184][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:18:34,488][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:18:34,493][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:18:38,808][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:18:38,813][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:18:43,142][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:18:43,146][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:18:47,446][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:18:47,450][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:18:51,910][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:18:51,915][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:18:56,262][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:18:56,267][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:19:00,584][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:19:00,591][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:19:13,103][__main__][INFO] - Finished design in 3.83 minutes +[2024-04-16 21:19:13,104][__main__][INFO] - Making design testoutputs/binder_test_1 +[2024-04-16 21:19:13,126][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A24-226/0 100-100'] +[2024-04-16 21:19:13,208][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:19:17,818][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.12 +[2024-04-16 21:19:17,823][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:19:22,138][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:19:22,142][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:19:26,506][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:19:26,513][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:19:30,835][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:19:30,840][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:19:35,168][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:19:35,174][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:19:39,511][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:19:39,517][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:19:43,835][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:19:43,839][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:19:48,173][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:19:48,182][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:19:52,502][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:19:52,508][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:19:56,848][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:19:56,853][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:20:01,184][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:20:01,188][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:20:05,524][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:20:05,538][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:20:09,876][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:20:09,882][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:20:14,179][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:20:14,184][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:20:18,530][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:20:18,534][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:20:22,898][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:20:22,904][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:20:27,251][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:20:27,258][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:20:31,578][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.12 +[2024-04-16 21:20:31,583][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:20:35,888][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:20:35,893][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:20:40,268][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:20:40,272][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:20:44,600][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:20:44,604][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:20:48,953][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:20:48,959][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:20:53,302][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:20:53,308][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:20:57,640][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:20:57,644][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:21:02,001][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.12 +[2024-04-16 21:21:02,007][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:21:06,357][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.12 +[2024-04-16 21:21:06,363][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:21:10,778][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.12 +[2024-04-16 21:21:10,783][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:21:15,120][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.12 +[2024-04-16 21:21:15,125][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:21:19,461][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.12 +[2024-04-16 21:21:19,466][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:21:23,835][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.12 +[2024-04-16 21:21:23,841][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:21:28,180][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:21:28,186][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:21:32,515][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:21:32,522][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:21:36,870][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:21:36,877][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:21:41,214][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:21:41,220][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:21:45,535][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:21:45,539][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:21:49,859][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:21:49,865][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:21:54,226][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:21:54,233][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:21:58,619][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:21:58,627][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:22:03,015][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:22:03,019][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:22:07,377][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:22:07,384][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:22:11,711][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:22:11,717][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:22:16,043][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:22:16,049][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:22:20,398][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:22:20,403][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:22:24,727][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:22:24,732][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:22:29,062][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:22:29,067][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:22:33,379][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:22:33,385][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:22:37,734][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:22:37,738][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:22:42,105][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:22:42,110][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:22:46,436][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:22:46,441][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:22:59,424][__main__][INFO] - Finished design in 3.77 minutes +[2024-04-16 21:22:59,424][__main__][INFO] - Making design testoutputs/binder_test_2 +[2024-04-16 21:22:59,444][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A24-226/0 100-100'] +[2024-04-16 21:22:59,516][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:23:04,182][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.12 +[2024-04-16 21:23:04,188][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:23:08,485][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:23:08,490][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:23:12,831][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:23:12,836][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:23:17,208][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:23:17,214][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:23:21,556][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:23:21,560][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:23:25,874][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:23:25,890][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:23:30,231][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:23:30,235][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:23:34,586][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:23:34,590][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:23:38,908][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:23:38,915][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:23:43,254][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:23:43,260][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:23:47,612][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:23:47,617][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:23:51,970][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:23:51,976][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:23:56,318][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:23:56,324][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:24:00,667][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:24:00,674][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:24:05,057][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:24:05,062][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:24:09,406][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:24:09,410][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:24:13,739][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:24:13,744][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:24:18,144][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:24:18,153][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:24:22,554][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:24:22,558][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:24:26,906][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:24:26,911][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:24:31,279][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:24:31,284][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:24:35,627][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:24:35,632][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:24:39,963][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:24:39,970][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:24:44,343][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:24:44,349][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:24:48,704][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:24:48,710][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:24:53,062][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:24:53,070][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:24:57,416][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:24:57,422][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:25:01,779][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:25:01,784][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:25:06,121][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:25:06,127][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:25:10,474][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:25:10,480][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:25:14,835][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:25:14,840][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:25:19,202][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:25:19,206][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:25:23,555][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:25:23,560][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:25:27,951][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:25:27,956][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:25:32,312][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:25:32,317][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:25:36,656][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:25:36,663][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:25:41,006][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:25:41,013][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:25:45,436][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:25:45,441][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:25:49,804][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:25:49,810][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:25:54,134][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:25:54,138][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:25:58,505][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:25:58,509][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:26:02,839][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:26:02,845][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:26:07,177][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:26:07,182][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:26:11,516][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:26:11,521][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:26:15,859][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:26:15,866][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:26:20,213][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:26:20,218][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:26:24,582][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:26:24,588][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:26:28,931][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:26:28,934][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:26:33,289][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:26:33,295][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:26:46,008][__main__][INFO] - Finished design in 3.78 minutes +[2024-04-16 21:26:46,008][__main__][INFO] - Making design testoutputs/binder_test_3 +[2024-04-16 21:26:46,028][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A24-226/0 100-100'] +[2024-04-16 21:26:46,096][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:26:50,700][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.12 +[2024-04-16 21:26:50,706][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:26:55,034][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:26:55,041][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:26:59,447][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:26:59,456][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:27:03,799][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:27:03,803][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:27:08,152][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:27:08,158][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:27:12,506][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:27:12,512][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:27:16,887][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:27:16,891][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:27:21,230][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:27:21,237][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:27:25,594][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:27:25,599][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:27:29,950][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:27:29,957][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:27:34,306][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:27:34,310][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:27:38,655][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:27:38,660][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:27:43,062][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:27:43,067][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:27:47,388][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:27:47,394][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:27:51,759][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:27:51,766][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:27:56,159][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:27:56,164][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:28:00,519][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:28:00,525][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:28:04,873][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:28:04,878][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:28:09,241][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:28:09,247][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:28:13,664][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:28:13,670][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:28:18,059][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:28:18,064][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:28:22,452][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:28:22,458][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:28:26,819][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:28:26,824][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:28:31,176][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:28:31,181][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:28:35,552][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:28:35,557][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:28:39,986][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:28:39,990][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:28:44,340][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:28:44,346][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:28:48,748][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:28:48,753][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:28:53,146][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:28:53,152][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:28:57,501][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:28:57,506][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:29:01,862][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:29:01,867][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:29:06,228][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:29:06,234][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:29:10,575][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:29:10,579][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:29:14,940][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:29:14,946][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:29:19,329][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:29:19,334][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:29:23,681][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:29:23,689][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:29:28,070][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:29:28,074][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:29:32,409][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:29:32,414][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:29:36,770][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:29:36,776][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:29:41,101][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:29:41,109][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:29:45,447][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:29:45,452][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:29:49,852][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:29:49,859][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:29:54,219][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:29:54,224][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:29:58,573][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:29:58,579][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:30:02,970][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:30:02,977][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:30:07,343][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:30:07,347][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:30:11,670][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:30:11,677][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:30:16,034][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:30:16,044][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:30:20,449][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:30:20,454][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:30:33,529][__main__][INFO] - Finished design in 3.79 minutes +[2024-04-16 21:30:33,529][__main__][INFO] - Making design testoutputs/binder_test_4 +[2024-04-16 21:30:33,567][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A24-226/0 100-100'] +[2024-04-16 21:30:33,612][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:30:38,248][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.12 +[2024-04-16 21:30:38,254][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:30:42,583][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:30:42,588][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:30:46,957][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:30:46,961][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:30:51,273][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:30:51,277][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:30:55,613][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:30:55,620][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:30:59,975][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:30:59,985][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:31:04,363][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:31:04,369][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:31:08,724][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:31:08,730][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:31:13,086][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.12 +[2024-04-16 21:31:13,091][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:31:17,485][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:31:17,489][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:31:21,835][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:31:21,842][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:31:26,208][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:31:26,212][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:31:30,579][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:31:30,586][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:31:34,909][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:31:34,916][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:31:39,289][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:31:39,294][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:31:43,675][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:31:43,679][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:31:48,043][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:31:48,050][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:31:52,392][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:31:52,396][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:31:56,751][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:31:56,756][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:32:01,158][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:32:01,165][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:32:05,538][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.12 +[2024-04-16 21:32:05,544][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:32:09,889][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:32:09,894][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:32:14,287][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:32:14,293][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:32:18,640][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:32:18,647][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:32:23,016][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:32:23,020][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:32:27,388][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:32:27,392][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:32:31,731][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:32:31,737][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:32:36,099][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:32:36,104][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:32:40,467][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:32:40,471][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:32:44,841][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:32:44,848][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:32:49,187][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:32:49,192][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:32:53,582][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:32:53,588][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:32:57,965][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:32:57,970][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:33:02,323][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:33:02,328][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:33:06,702][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:33:06,708][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:33:11,098][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:33:11,104][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:33:15,463][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:33:15,469][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:33:19,813][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:33:19,820][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:33:24,179][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:33:24,183][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:33:28,575][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:33:28,581][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:33:32,920][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:33:32,926][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:33:37,271][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:33:37,278][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:33:41,633][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:33:41,638][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:33:46,039][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:33:46,046][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:33:50,495][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:33:50,500][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:33:54,865][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:33:54,872][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:33:59,223][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:33:59,229][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:34:03,584][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:34:03,592][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:34:07,970][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:34:07,978][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:34:21,250][__main__][INFO] - Finished design in 3.80 minutes +[2024-04-16 21:34:21,251][__main__][INFO] - Making design testoutputs/binder_test_5 +[2024-04-16 21:34:21,277][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A24-226/0 100-100'] +[2024-04-16 21:34:21,344][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:34:25,986][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.12 +[2024-04-16 21:34:25,993][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:34:30,330][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:34:30,335][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:34:34,683][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:34:34,688][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:34:39,026][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:34:39,032][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:34:43,380][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:34:43,385][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:34:47,714][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:34:47,720][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:34:52,069][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:34:52,074][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:34:56,406][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:34:56,411][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:35:00,754][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:35:00,759][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:35:05,115][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:35:05,120][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:35:09,446][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:35:09,451][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:35:13,791][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:35:13,796][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:35:18,182][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:35:18,187][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:35:22,549][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:35:22,554][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:35:26,904][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:35:26,910][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:35:31,244][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:35:31,249][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:35:35,621][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:35:35,626][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:35:39,974][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:35:39,979][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:35:44,311][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:35:44,316][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:35:48,692][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:35:48,697][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:35:53,054][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:35:53,059][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:35:57,423][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:35:57,430][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:36:01,830][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:36:01,836][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:36:06,303][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:36:06,309][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:36:10,768][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:36:10,773][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:36:15,129][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:36:15,133][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:36:19,480][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:36:19,487][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:36:23,855][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:36:23,860][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:36:28,256][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:36:28,261][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:36:32,616][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:36:32,620][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:36:36,954][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:36:36,959][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:36:41,291][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:36:41,297][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:36:45,674][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:36:45,681][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:36:50,026][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:36:50,032][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:36:54,383][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:36:54,389][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:36:58,766][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:36:58,773][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:37:03,108][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:37:03,113][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:37:07,446][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:37:07,452][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:37:11,788][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:37:11,795][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:37:16,178][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:37:16,186][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:37:20,537][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:37:20,542][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:37:24,865][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:37:24,870][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:37:29,243][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:37:29,248][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:37:33,613][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:37:33,619][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:37:37,955][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:37:37,960][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:37:42,308][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:37:42,314][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:37:46,673][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:37:46,678][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:37:51,028][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:37:51,033][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:37:55,376][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:37:55,382][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:38:08,435][__main__][INFO] - Finished design in 3.79 minutes +[2024-04-16 21:38:08,436][__main__][INFO] - Making design testoutputs/binder_test_6 +[2024-04-16 21:38:08,465][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A24-226/0 100-100'] +[2024-04-16 21:38:08,530][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:38:13,146][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.12 +[2024-04-16 21:38:13,150][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:38:17,511][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:38:17,516][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:38:21,843][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:38:21,848][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:38:26,210][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:38:26,216][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:38:30,567][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:38:30,572][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:38:34,924][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:38:34,929][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:38:39,296][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:38:39,302][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:38:43,654][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:38:43,658][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:38:48,006][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:38:48,059][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:38:52,410][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:38:52,414][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:38:56,757][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:38:56,761][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:39:01,113][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:39:01,119][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:39:05,484][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:39:05,494][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:39:09,875][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.12 +[2024-04-16 21:39:09,881][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:39:14,241][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.12 +[2024-04-16 21:39:14,247][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:39:18,606][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.12 +[2024-04-16 21:39:18,610][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:39:22,970][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.12 +[2024-04-16 21:39:22,975][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:39:27,359][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.12 +[2024-04-16 21:39:27,365][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:39:31,711][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.12 +[2024-04-16 21:39:31,717][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:39:36,069][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.12 +[2024-04-16 21:39:36,074][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:39:40,442][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:39:40,447][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:39:44,830][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:39:44,836][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:39:49,201][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:39:49,206][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:39:53,565][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:39:53,571][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:39:57,945][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:39:57,951][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:40:02,290][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:40:02,294][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:40:06,685][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:40:06,689][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:40:11,052][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:40:11,059][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:40:15,413][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:40:15,421][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:40:19,823][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:40:19,829][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:40:24,255][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:40:24,260][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:40:28,623][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:40:28,629][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:40:33,002][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:40:33,009][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:40:37,420][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:40:37,427][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:40:41,772][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:40:41,777][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:40:46,146][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:40:46,152][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:40:50,637][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:40:50,645][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:40:55,058][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:40:55,065][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:40:59,431][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:40:59,437][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:41:03,823][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:41:03,827][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:41:08,154][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:41:08,159][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:41:12,503][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:41:12,509][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:41:16,867][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:41:16,871][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:41:21,250][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:41:21,255][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:41:25,591][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:41:25,597][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:41:29,962][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:41:29,967][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:41:34,351][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:41:34,356][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:41:38,715][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:41:38,721][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:41:43,085][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:41:43,092][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:41:56,534][__main__][INFO] - Finished design in 3.80 minutes +[2024-04-16 21:41:56,535][__main__][INFO] - Making design testoutputs/binder_test_7 +[2024-04-16 21:41:56,564][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A24-226/0 100-100'] +[2024-04-16 21:41:56,631][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:42:01,342][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.12 +[2024-04-16 21:42:01,353][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:42:05,720][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:42:05,726][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:42:10,050][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:42:10,055][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:42:14,413][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:42:14,418][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:42:18,745][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:42:18,751][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:42:23,106][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:42:23,111][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:42:27,504][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:42:27,508][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:42:31,864][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:42:31,868][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:42:36,257][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:42:36,263][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:42:40,611][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:42:40,616][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:42:44,962][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:42:44,967][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:42:49,333][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:42:49,340][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:42:53,684][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:42:53,692][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:42:58,084][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:42:58,090][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:43:02,445][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:43:02,451][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:43:06,813][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:43:06,818][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:43:11,206][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:43:11,210][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:43:15,578][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:43:15,585][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:43:19,949][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:43:19,957][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:43:24,351][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:43:24,356][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:43:28,732][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:43:28,738][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:43:33,094][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:43:33,099][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:43:37,506][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:43:37,511][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:43:41,881][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:43:41,886][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:43:46,219][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:43:46,225][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:43:50,582][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:43:50,585][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:43:54,977][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:43:54,983][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:43:59,345][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:43:59,350][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:44:03,709][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:44:03,714][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:44:08,103][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:44:08,108][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:44:12,480][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:44:12,485][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:44:16,827][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:44:16,831][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:44:21,176][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:44:21,182][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:44:25,571][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:44:25,577][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:44:29,938][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:44:29,946][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:44:34,322][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:44:34,329][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:44:38,711][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:44:38,716][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:44:43,072][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:44:43,079][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:44:47,411][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:44:47,417][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:44:51,788][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:44:51,794][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:44:56,146][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:44:56,153][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:45:00,511][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:45:00,517][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:45:04,851][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:45:04,857][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:45:09,244][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:45:09,249][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:45:13,615][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:45:13,624][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:45:18,015][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:45:18,021][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:45:22,393][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:45:22,399][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:45:26,756][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:45:26,760][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:45:31,115][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:45:31,120][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:45:44,561][__main__][INFO] - Finished design in 3.80 minutes +[2024-04-16 21:45:44,561][__main__][INFO] - Making design testoutputs/binder_test_8 +[2024-04-16 21:45:44,582][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A24-226/0 100-100'] +[2024-04-16 21:45:44,640][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:45:49,225][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-16 21:45:49,230][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:45:53,544][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:45:53,549][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:45:57,866][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:45:57,871][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:46:02,272][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:46:02,277][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:46:06,625][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:46:06,630][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:46:10,992][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:46:10,999][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:46:15,359][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:46:15,364][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:46:19,736][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:46:19,744][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:46:24,120][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:46:24,125][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:46:28,477][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:46:28,485][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:46:32,867][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:46:32,873][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:46:37,243][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:46:37,248][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:46:41,656][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:46:41,664][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:46:46,058][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:46:46,064][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:46:50,419][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:46:50,424][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:46:54,782][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:46:54,792][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:46:59,148][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:46:59,152][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:47:03,502][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:47:03,507][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:47:07,855][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:47:07,859][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:47:12,233][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:47:12,238][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:47:16,633][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:47:16,639][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:47:21,022][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:47:21,029][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:47:25,436][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:47:25,441][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:47:29,825][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:47:29,830][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:47:34,206][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:47:34,212][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:47:38,593][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:47:38,600][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:47:42,999][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:47:43,005][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:47:47,382][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:47:47,387][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:47:51,761][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:47:51,767][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:47:56,152][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:47:56,159][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:48:00,531][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:48:00,537][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:48:04,888][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:48:04,893][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:48:09,278][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:48:09,284][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:48:13,686][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:48:13,692][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:48:18,050][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:48:18,054][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:48:22,416][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:48:22,422][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:48:26,812][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:48:26,820][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:48:31,253][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:48:31,260][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:48:35,614][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:48:35,620][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:48:39,974][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:48:39,980][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:48:44,329][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:48:44,335][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:48:48,725][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:48:48,731][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:48:53,087][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:48:53,095][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:48:57,464][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:48:57,469][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:49:01,818][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:49:01,825][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:49:06,207][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:49:06,213][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:49:10,610][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:49:10,615][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:49:14,961][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:49:14,966][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:49:19,312][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:49:19,317][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:49:32,188][__main__][INFO] - Finished design in 3.79 minutes +[2024-04-16 21:49:32,188][__main__][INFO] - Making design testoutputs/binder_test_9 +[2024-04-16 21:49:32,211][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A24-226/0 100-100'] +[2024-04-16 21:49:32,273][rfdiffusion.inference.model_runners][INFO] - Sequence init: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:49:36,971][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.13 +[2024-04-16 21:49:36,977][rfdiffusion.inference.model_runners][INFO] - Timestep 50, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:49:41,322][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:49:41,327][rfdiffusion.inference.model_runners][INFO] - Timestep 49, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:49:45,662][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:49:45,668][rfdiffusion.inference.model_runners][INFO] - Timestep 48, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:49:50,023][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:49:50,028][rfdiffusion.inference.model_runners][INFO] - Timestep 47, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:49:54,388][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:49:54,394][rfdiffusion.inference.model_runners][INFO] - Timestep 46, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:49:58,743][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:49:58,749][rfdiffusion.inference.model_runners][INFO] - Timestep 45, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:50:03,101][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:50:03,108][rfdiffusion.inference.model_runners][INFO] - Timestep 44, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:50:07,447][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:50:07,451][rfdiffusion.inference.model_runners][INFO] - Timestep 43, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:50:11,804][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:50:11,810][rfdiffusion.inference.model_runners][INFO] - Timestep 42, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:50:16,174][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:50:16,179][rfdiffusion.inference.model_runners][INFO] - Timestep 41, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:50:20,548][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:50:20,555][rfdiffusion.inference.model_runners][INFO] - Timestep 40, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:50:24,937][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:50:24,943][rfdiffusion.inference.model_runners][INFO] - Timestep 39, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:50:29,298][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:50:29,305][rfdiffusion.inference.model_runners][INFO] - Timestep 38, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:50:33,705][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:50:33,709][rfdiffusion.inference.model_runners][INFO] - Timestep 37, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:50:38,080][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:50:38,086][rfdiffusion.inference.model_runners][INFO] - Timestep 36, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:50:42,478][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:50:42,483][rfdiffusion.inference.model_runners][INFO] - Timestep 35, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:50:46,870][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:50:46,875][rfdiffusion.inference.model_runners][INFO] - Timestep 34, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:50:51,256][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:50:51,261][rfdiffusion.inference.model_runners][INFO] - Timestep 33, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:50:55,638][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:50:55,644][rfdiffusion.inference.model_runners][INFO] - Timestep 32, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:51:00,027][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:51:00,033][rfdiffusion.inference.model_runners][INFO] - Timestep 31, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:51:04,435][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:51:04,442][rfdiffusion.inference.model_runners][INFO] - Timestep 30, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:51:08,834][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:51:08,839][rfdiffusion.inference.model_runners][INFO] - Timestep 29, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:51:13,193][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:51:13,198][rfdiffusion.inference.model_runners][INFO] - Timestep 28, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:51:17,592][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:51:17,596][rfdiffusion.inference.model_runners][INFO] - Timestep 27, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:51:21,946][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:51:21,952][rfdiffusion.inference.model_runners][INFO] - Timestep 26, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:51:26,327][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:51:26,334][rfdiffusion.inference.model_runners][INFO] - Timestep 25, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:51:30,749][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:51:30,756][rfdiffusion.inference.model_runners][INFO] - Timestep 24, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:51:35,127][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:51:35,133][rfdiffusion.inference.model_runners][INFO] - Timestep 23, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:51:39,493][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:51:39,497][rfdiffusion.inference.model_runners][INFO] - Timestep 22, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:51:43,844][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:51:43,849][rfdiffusion.inference.model_runners][INFO] - Timestep 21, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:51:48,245][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:51:48,250][rfdiffusion.inference.model_runners][INFO] - Timestep 20, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:51:52,601][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:51:52,608][rfdiffusion.inference.model_runners][INFO] - Timestep 19, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:51:56,982][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:51:56,988][rfdiffusion.inference.model_runners][INFO] - Timestep 18, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:52:01,479][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:52:01,486][rfdiffusion.inference.model_runners][INFO] - Timestep 17, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:52:05,941][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:52:05,946][rfdiffusion.inference.model_runners][INFO] - Timestep 16, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:52:10,296][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:52:10,301][rfdiffusion.inference.model_runners][INFO] - Timestep 15, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:52:14,705][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:52:14,709][rfdiffusion.inference.model_runners][INFO] - Timestep 14, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:52:19,055][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:52:19,060][rfdiffusion.inference.model_runners][INFO] - Timestep 13, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:52:23,416][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:52:23,422][rfdiffusion.inference.model_runners][INFO] - Timestep 12, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:52:27,795][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:52:27,799][rfdiffusion.inference.model_runners][INFO] - Timestep 11, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:52:32,170][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:52:32,177][rfdiffusion.inference.model_runners][INFO] - Timestep 10, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:52:36,574][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:52:36,578][rfdiffusion.inference.model_runners][INFO] - Timestep 9, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:52:40,930][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:52:40,935][rfdiffusion.inference.model_runners][INFO] - Timestep 8, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:52:45,327][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:52:45,335][rfdiffusion.inference.model_runners][INFO] - Timestep 7, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:52:49,748][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:52:49,753][rfdiffusion.inference.model_runners][INFO] - Timestep 6, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:52:54,108][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:52:54,112][rfdiffusion.inference.model_runners][INFO] - Timestep 5, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:52:58,476][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:52:58,481][rfdiffusion.inference.model_runners][INFO] - Timestep 4, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:53:02,825][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:53:02,831][rfdiffusion.inference.model_runners][INFO] - Timestep 3, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:53:07,214][rfdiffusion.inference.utils][INFO] - Sampled motif RMSD: 0.11 +[2024-04-16 21:53:07,220][rfdiffusion.inference.model_runners][INFO] - Timestep 2, input to next step: ----------------------------------------------------------------------------------------------------RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAA +[2024-04-16 21:53:20,105][__main__][INFO] - Finished design in 3.80 minutes diff --git a/RFdiffusion/outputs/2024-04-19/15-45-11/.hydra/config.yaml b/RFdiffusion/outputs/2024-04-19/15-45-11/.hydra/config.yaml new file mode 100644 index 0000000000000000000000000000000000000000..982a425dde23b69eefcfe56d44319478d8122a9f --- /dev/null +++ b/RFdiffusion/outputs/2024-04-19/15-45-11/.hydra/config.yaml @@ -0,0 +1,135 @@ +inference: + input_pdb: C:\Users\adminisiterlator\Desktop\fordesignpdb\combine.pdb + num_designs: 1 + design_startnum: 0 + ckpt_override_path: models/Complex_beta_ckpt.pt + symmetry: null + recenter: true + radius: 10.0 + model_only_neighbors: false + output_prefix: testoutputs/binder_test + write_trajectory: true + scaffold_guided: false + model_runner: SelfConditioning + cautious: true + align_motif: true + symmetric_self_cond: true + final_step: 1 + deterministic: false + trb_save_ckpt_path: null + schedule_directory_path: null + model_directory_path: null +contigmap: + contigs: + - A4-185/B24-228/C26-313/D30-233/E19-459/F27-454/G1106-1212/H85-835/0 800-800 + inpaint_seq: null + provide_seq: null + length: null +model: + n_extra_block: 4 + n_main_block: 32 + n_ref_block: 4 + d_msa: 256 + d_msa_full: 64 + d_pair: 128 + d_templ: 64 + n_head_msa: 8 + n_head_pair: 4 + n_head_templ: 4 + d_hidden: 32 + d_hidden_templ: 32 + p_drop: 0.15 + SE3_param_full: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 8 + l0_out_features: 8 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 32 + SE3_param_topk: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 64 + l0_out_features: 64 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 64 + freeze_track_motif: false + use_motif_timestep: false +diffuser: + T: 50 + b_0: 0.01 + b_T: 0.07 + schedule_type: linear + so3_type: igso3 + crd_scale: 0.25 + partial_T: null + so3_schedule_type: linear + min_b: 1.5 + max_b: 2.5 + min_sigma: 0.02 + max_sigma: 1.5 +denoiser: + noise_scale_ca: 1 + final_noise_scale_ca: 1 + ca_noise_schedule_type: constant + noise_scale_frame: 1 + final_noise_scale_frame: 1 + frame_noise_schedule_type: constant +ppi: + hotspot_res: + - A97 + - A98 + - A116 + - A118 + - A119 + - A151 + - A153 + - A154 + - A156 + - A190 +potentials: + guiding_potentials: null + guide_scale: 10 + guide_decay: constant + olig_inter_all: null + olig_intra_all: null + olig_custom_contact: null + substrate: null +contig_settings: + ref_idx: null + hal_idx: null + idx_rf: null + inpaint_seq_tensor: null +preprocess: + sidechain_input: false + motif_sidechain_input: true + d_t1d: 22 + d_t2d: 44 + prob_self_cond: 0.0 + str_self_cond: false + predict_previous: false +logging: + inputs: false +scaffoldguided: + scaffoldguided: false + target_pdb: false + target_path: null + scaffold_list: null + scaffold_dir: null + sampled_insertion: 0 + sampled_N: 0 + sampled_C: 0 + ss_mask: 0 + systematic: false + target_ss: null + target_adj: null + mask_loops: true + contig_crop: null diff --git a/RFdiffusion/outputs/2024-04-19/15-45-11/.hydra/hydra.yaml b/RFdiffusion/outputs/2024-04-19/15-45-11/.hydra/hydra.yaml new file mode 100644 index 0000000000000000000000000000000000000000..adb00e22dc1540ae5928e70be899912a64600759 --- /dev/null +++ b/RFdiffusion/outputs/2024-04-19/15-45-11/.hydra/hydra.yaml @@ -0,0 +1,163 @@ +hydra: + run: + dir: outputs/${now:%Y-%m-%d}/${now:%H-%M-%S} + sweep: + dir: multirun/${now:%Y-%m-%d}/${now:%H-%M-%S} + subdir: ${hydra.job.num} + launcher: + _target_: hydra._internal.core_plugins.basic_launcher.BasicLauncher + sweeper: + _target_: hydra._internal.core_plugins.basic_sweeper.BasicSweeper + max_batch_size: null + params: null + help: + app_name: ${hydra.job.name} + header: '${hydra.help.app_name} is powered by Hydra. + + ' + footer: 'Powered by Hydra (https://hydra.cc) + + Use --hydra-help to view Hydra specific help + + ' + template: '${hydra.help.header} + + == Configuration groups == + + Compose your configuration from those groups (group=option) + + + $APP_CONFIG_GROUPS + + + == Config == + + Override anything in the config (foo.bar=value) + + + $CONFIG + + + ${hydra.help.footer} + + ' + hydra_help: + template: 'Hydra (${hydra.runtime.version}) + + See https://hydra.cc for more info. + + + == Flags == + + $FLAGS_HELP + + + == Configuration groups == + + Compose your configuration from those groups (For example, append hydra/job_logging=disabled + to command line) + + + $HYDRA_CONFIG_GROUPS + + + Use ''--cfg hydra'' to Show the Hydra config. + + ' + hydra_help: ??? + hydra_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][HYDRA] %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + root: + level: INFO + handlers: + - console + loggers: + logging_example: + level: DEBUG + disable_existing_loggers: false + job_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][%(name)s][%(levelname)s] - %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + file: + class: logging.FileHandler + formatter: simple + filename: ${hydra.runtime.output_dir}/${hydra.job.name}.log + root: + level: INFO + handlers: + - console + - file + disable_existing_loggers: false + env: {} + mode: RUN + searchpath: [] + callbacks: {} + output_subdir: .hydra + overrides: + hydra: + - hydra.mode=RUN + task: + - inference.output_prefix=./ + - inference.input_pdb=C:\Users\adminisiterlator\Desktop\fordesignpdb\combine.pdb + - contigmap.contigs=[A4-185/B24-228/C26-313/D30-233/E19-459/F27-454/G1106-1212/H85-835/0 + 800-800] + - ppi.hotspot_res=[A97,A98,A116,A118,A119,A151,A153,A154,A156,A190] + - inference.output_prefix=testoutputs/binder_test + - inference.num_designs=1 + - inference.ckpt_override_path=models/Complex_beta_ckpt.pt + job: + name: run_inference + chdir: null + override_dirname: contigmap.contigs=[A4-185/B24-228/C26-313/D30-233/E19-459/F27-454/G1106-1212/H85-835/0 + 800-800],inference.ckpt_override_path=models/Complex_beta_ckpt.pt,inference.input_pdb=C:\Users\adminisiterlator\Desktop\fordesignpdb\combine.pdb,inference.num_designs=1,inference.output_prefix=./,inference.output_prefix=testoutputs/binder_test,ppi.hotspot_res=[A97,A98,A116,A118,A119,A151,A153,A154,A156,A190] + id: ??? + num: ??? + config_name: base + env_set: {} + env_copy: [] + config: + override_dirname: + kv_sep: '=' + item_sep: ',' + exclude_keys: [] + runtime: + version: 1.3.2 + version_base: '1.3' + cwd: C:\Users\adminisiterlator\RFdiffusion + config_sources: + - path: hydra.conf + schema: pkg + provider: hydra + - path: C:\Users\adminisiterlator\RFdiffusion\config\inference + schema: file + provider: main + - path: '' + schema: structured + provider: schema + output_dir: C:\Users\adminisiterlator\RFdiffusion\outputs\2024-04-19\15-45-11 + choices: + hydra/env: default + hydra/callbacks: null + hydra/job_logging: default + hydra/hydra_logging: default + hydra/hydra_help: default + hydra/help: default + hydra/sweeper: basic + hydra/launcher: basic + hydra/output: default + verbose: false diff --git a/RFdiffusion/outputs/2024-04-19/15-45-11/.hydra/overrides.yaml b/RFdiffusion/outputs/2024-04-19/15-45-11/.hydra/overrides.yaml new file mode 100644 index 0000000000000000000000000000000000000000..949e1defbdb48da5ff506276a5602fa6db8da7d6 --- /dev/null +++ b/RFdiffusion/outputs/2024-04-19/15-45-11/.hydra/overrides.yaml @@ -0,0 +1,8 @@ +- inference.output_prefix=./ +- inference.input_pdb=C:\Users\adminisiterlator\Desktop\fordesignpdb\combine.pdb +- contigmap.contigs=[A4-185/B24-228/C26-313/D30-233/E19-459/F27-454/G1106-1212/H85-835/0 + 800-800] +- ppi.hotspot_res=[A97,A98,A116,A118,A119,A151,A153,A154,A156,A190] +- inference.output_prefix=testoutputs/binder_test +- inference.num_designs=1 +- inference.ckpt_override_path=models/Complex_beta_ckpt.pt diff --git a/RFdiffusion/outputs/2024-04-19/15-45-11/run_inference.log b/RFdiffusion/outputs/2024-04-19/15-45-11/run_inference.log new file mode 100644 index 0000000000000000000000000000000000000000..11740b675ba81ff016afe1a179fe239e7f48ad93 --- /dev/null +++ b/RFdiffusion/outputs/2024-04-19/15-45-11/run_inference.log @@ -0,0 +1,6 @@ +[2024-04-19 15:45:12,041][__main__][INFO] - Found GPU with device_name NVIDIA GeForce RTX 2060. Will run RFdiffusion on NVIDIA GeForce RTX 2060 +[2024-04-19 15:45:12,044][rfdiffusion.inference.model_runners][INFO] - Reading checkpoint from models/Complex_beta_ckpt.pt +[2024-04-19 15:45:17,014][rfdiffusion.inference.model_runners][INFO] - Loading checkpoint. +[2024-04-19 15:45:24,141][rfdiffusion.diffusion][INFO] - Using cached IGSO3. +[2024-04-19 15:45:25,986][__main__][INFO] - Making design testoutputs/binder_test_0 +[2024-04-19 15:45:25,987][__main__][INFO] - (cautious mode) Skipping this design because testoutputs/binder_test_0.pdb already exists. diff --git a/RFdiffusion/outputs/2024-04-19/15-55-03/.hydra/config.yaml b/RFdiffusion/outputs/2024-04-19/15-55-03/.hydra/config.yaml new file mode 100644 index 0000000000000000000000000000000000000000..a1ea92333b218b04cfbac64d620c5d7eebd6d8d3 --- /dev/null +++ b/RFdiffusion/outputs/2024-04-19/15-55-03/.hydra/config.yaml @@ -0,0 +1,172 @@ +inference: + input_pdb: C:\Users\adminisiterlator\Desktop\fordesignpdb\combine.pdb + num_designs: 1 + design_startnum: 0 + ckpt_override_path: models/Complex_beta_ckpt.pt + symmetry: null + recenter: true + radius: 10.0 + model_only_neighbors: false + output_prefix: testoutputs/binder_test + write_trajectory: true + scaffold_guided: false + model_runner: SelfConditioning + cautious: true + align_motif: true + symmetric_self_cond: true + final_step: 1 + deterministic: false + trb_save_ckpt_path: null + schedule_directory_path: null + model_directory_path: null +contigmap: + contigs: + - A4-185/B24-228/C26-313/D30-233/E19-459/F27-454/G1106-1212/H85-835/0 800-800 + inpaint_seq: null + provide_seq: null + length: null +model: + n_extra_block: 4 + n_main_block: 32 + n_ref_block: 4 + d_msa: 256 + d_msa_full: 64 + d_pair: 128 + d_templ: 64 + n_head_msa: 8 + n_head_pair: 4 + n_head_templ: 4 + d_hidden: 32 + d_hidden_templ: 32 + p_drop: 0.15 + SE3_param_full: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 8 + l0_out_features: 8 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 32 + SE3_param_topk: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 64 + l0_out_features: 64 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 64 + freeze_track_motif: false + use_motif_timestep: false +diffuser: + T: 50 + b_0: 0.01 + b_T: 0.07 + schedule_type: linear + so3_type: igso3 + crd_scale: 0.25 + partial_T: null + so3_schedule_type: linear + min_b: 1.5 + max_b: 2.5 + min_sigma: 0.02 + max_sigma: 1.5 +denoiser: + noise_scale_ca: 1 + final_noise_scale_ca: 1 + ca_noise_schedule_type: constant + noise_scale_frame: 1 + final_noise_scale_frame: 1 + frame_noise_schedule_type: constant +ppi: + hotspot_res: + - A16 + - A20 + - A21 + - A22 + - A55 + - A56 + - A115 + - A121 + - A145 + - B97 + - B98 + - B116 + - B118 + - B119 + - B151 + - B153 + - B154 + - B156 + - B190 + - C78 + - C80 + - C218 + - C260 + - C312 + - D81 + - D102 + - D135 + - D136 + - D140 + - D174 + - D175 + - E156 + - E285 + - E286 + - E311 + - E400 + - F137 + - F281 + - F313 + - F314 + - G1141 + - G1155 + - G1175 + - G1178 + - H564 + - H566 + - H568 +potentials: + guiding_potentials: null + guide_scale: 10 + guide_decay: constant + olig_inter_all: null + olig_intra_all: null + olig_custom_contact: null + substrate: null +contig_settings: + ref_idx: null + hal_idx: null + idx_rf: null + inpaint_seq_tensor: null +preprocess: + sidechain_input: false + motif_sidechain_input: true + d_t1d: 22 + d_t2d: 44 + prob_self_cond: 0.0 + str_self_cond: false + predict_previous: false +logging: + inputs: false +scaffoldguided: + scaffoldguided: false + target_pdb: false + target_path: null + scaffold_list: null + scaffold_dir: null + sampled_insertion: 0 + sampled_N: 0 + sampled_C: 0 + ss_mask: 0 + systematic: false + target_ss: null + target_adj: null + mask_loops: true + contig_crop: null diff --git a/RFdiffusion/outputs/2024-04-19/15-55-03/.hydra/hydra.yaml b/RFdiffusion/outputs/2024-04-19/15-55-03/.hydra/hydra.yaml new file mode 100644 index 0000000000000000000000000000000000000000..104219daaa3f1039a516cdfb9a02930708bf95ec --- /dev/null +++ b/RFdiffusion/outputs/2024-04-19/15-55-03/.hydra/hydra.yaml @@ -0,0 +1,163 @@ +hydra: + run: + dir: outputs/${now:%Y-%m-%d}/${now:%H-%M-%S} + sweep: + dir: multirun/${now:%Y-%m-%d}/${now:%H-%M-%S} + subdir: ${hydra.job.num} + launcher: + _target_: hydra._internal.core_plugins.basic_launcher.BasicLauncher + sweeper: + _target_: hydra._internal.core_plugins.basic_sweeper.BasicSweeper + max_batch_size: null + params: null + help: + app_name: ${hydra.job.name} + header: '${hydra.help.app_name} is powered by Hydra. + + ' + footer: 'Powered by Hydra (https://hydra.cc) + + Use --hydra-help to view Hydra specific help + + ' + template: '${hydra.help.header} + + == Configuration groups == + + Compose your configuration from those groups (group=option) + + + $APP_CONFIG_GROUPS + + + == Config == + + Override anything in the config (foo.bar=value) + + + $CONFIG + + + ${hydra.help.footer} + + ' + hydra_help: + template: 'Hydra (${hydra.runtime.version}) + + See https://hydra.cc for more info. + + + == Flags == + + $FLAGS_HELP + + + == Configuration groups == + + Compose your configuration from those groups (For example, append hydra/job_logging=disabled + to command line) + + + $HYDRA_CONFIG_GROUPS + + + Use ''--cfg hydra'' to Show the Hydra config. + + ' + hydra_help: ??? + hydra_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][HYDRA] %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + root: + level: INFO + handlers: + - console + loggers: + logging_example: + level: DEBUG + disable_existing_loggers: false + job_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][%(name)s][%(levelname)s] - %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + file: + class: logging.FileHandler + formatter: simple + filename: ${hydra.runtime.output_dir}/${hydra.job.name}.log + root: + level: INFO + handlers: + - console + - file + disable_existing_loggers: false + env: {} + mode: RUN + searchpath: [] + callbacks: {} + output_subdir: .hydra + overrides: + hydra: + - hydra.mode=RUN + task: + - inference.output_prefix=./ + - inference.input_pdb=C:\Users\adminisiterlator\Desktop\fordesignpdb\combine.pdb + - contigmap.contigs=[A4-185/B24-228/C26-313/D30-233/E19-459/F27-454/G1106-1212/H85-835/0 + 800-800] + - ppi.hotspot_res=[A16,A20,A21,A22,A55,A56,A115,A121,A145,B97,B98,B116,B118,B119,B151,B153,B154,B156,B190,C78,C80,C218,C260,C312,D81,D102,D135,D136,D140,D174,D175,E156,E285,E286,E311,E400,F137,F281,F313,F314,G1141,G1155,G1175,G1178,H564,H566,H568] + - inference.output_prefix=testoutputs/binder_test + - inference.num_designs=1 + - inference.ckpt_override_path=models/Complex_beta_ckpt.pt + job: + name: run_inference + chdir: null + override_dirname: contigmap.contigs=[A4-185/B24-228/C26-313/D30-233/E19-459/F27-454/G1106-1212/H85-835/0 + 800-800],inference.ckpt_override_path=models/Complex_beta_ckpt.pt,inference.input_pdb=C:\Users\adminisiterlator\Desktop\fordesignpdb\combine.pdb,inference.num_designs=1,inference.output_prefix=./,inference.output_prefix=testoutputs/binder_test,ppi.hotspot_res=[A16,A20,A21,A22,A55,A56,A115,A121,A145,B97,B98,B116,B118,B119,B151,B153,B154,B156,B190,C78,C80,C218,C260,C312,D81,D102,D135,D136,D140,D174,D175,E156,E285,E286,E311,E400,F137,F281,F313,F314,G1141,G1155,G1175,G1178,H564,H566,H568] + id: ??? + num: ??? + config_name: base + env_set: {} + env_copy: [] + config: + override_dirname: + kv_sep: '=' + item_sep: ',' + exclude_keys: [] + runtime: + version: 1.3.2 + version_base: '1.3' + cwd: C:\Users\adminisiterlator\RFdiffusion + config_sources: + - path: hydra.conf + schema: pkg + provider: hydra + - path: C:\Users\adminisiterlator\RFdiffusion\config\inference + schema: file + provider: main + - path: '' + schema: structured + provider: schema + output_dir: C:\Users\adminisiterlator\RFdiffusion\outputs\2024-04-19\15-55-03 + choices: + hydra/env: default + hydra/callbacks: null + hydra/job_logging: default + hydra/hydra_logging: default + hydra/hydra_help: default + hydra/help: default + hydra/sweeper: basic + hydra/launcher: basic + hydra/output: default + verbose: false diff --git a/RFdiffusion/outputs/2024-04-19/15-55-03/.hydra/overrides.yaml b/RFdiffusion/outputs/2024-04-19/15-55-03/.hydra/overrides.yaml new file mode 100644 index 0000000000000000000000000000000000000000..c5bd9742f72f957c7b1299c81b8c27b8edab82b2 --- /dev/null +++ b/RFdiffusion/outputs/2024-04-19/15-55-03/.hydra/overrides.yaml @@ -0,0 +1,8 @@ +- inference.output_prefix=./ +- inference.input_pdb=C:\Users\adminisiterlator\Desktop\fordesignpdb\combine.pdb +- contigmap.contigs=[A4-185/B24-228/C26-313/D30-233/E19-459/F27-454/G1106-1212/H85-835/0 + 800-800] +- ppi.hotspot_res=[A16,A20,A21,A22,A55,A56,A115,A121,A145,B97,B98,B116,B118,B119,B151,B153,B154,B156,B190,C78,C80,C218,C260,C312,D81,D102,D135,D136,D140,D174,D175,E156,E285,E286,E311,E400,F137,F281,F313,F314,G1141,G1155,G1175,G1178,H564,H566,H568] +- inference.output_prefix=testoutputs/binder_test +- inference.num_designs=1 +- inference.ckpt_override_path=models/Complex_beta_ckpt.pt diff --git a/RFdiffusion/outputs/2024-04-19/15-55-03/run_inference.log b/RFdiffusion/outputs/2024-04-19/15-55-03/run_inference.log new file mode 100644 index 0000000000000000000000000000000000000000..c3fa2a95a584b5e80db732c75e09510130acf047 --- /dev/null +++ b/RFdiffusion/outputs/2024-04-19/15-55-03/run_inference.log @@ -0,0 +1,6 @@ +[2024-04-19 15:55:03,162][__main__][INFO] - Found GPU with device_name NVIDIA GeForce RTX 2060. Will run RFdiffusion on NVIDIA GeForce RTX 2060 +[2024-04-19 15:55:03,165][rfdiffusion.inference.model_runners][INFO] - Reading checkpoint from models/Complex_beta_ckpt.pt +[2024-04-19 15:55:07,564][rfdiffusion.inference.model_runners][INFO] - Loading checkpoint. +[2024-04-19 15:55:13,585][rfdiffusion.diffusion][INFO] - Using cached IGSO3. +[2024-04-19 15:55:15,208][__main__][INFO] - Making design testoutputs/binder_test_0 +[2024-04-19 15:55:16,890][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A4-185/B24-228/C26-313/D30-233/E19-459/F27-454/G1106-1212/H85-835/0 800-800'] diff --git a/RFdiffusion/outputs/2024-04-19/16-31-52/.hydra/config.yaml b/RFdiffusion/outputs/2024-04-19/16-31-52/.hydra/config.yaml new file mode 100644 index 0000000000000000000000000000000000000000..226befc93cd201e7ffc14684f05272df7a0083c3 --- /dev/null +++ b/RFdiffusion/outputs/2024-04-19/16-31-52/.hydra/config.yaml @@ -0,0 +1,173 @@ +inference: + input_pdb: C:\Users\adminisiterlator\Desktop\fordesignpdb\combine.pdb + num_designs: 1 + design_startnum: 0 + ckpt_override_path: models/Complex_beta_ckpt.pt + symmetry: null + recenter: true + radius: 10.0 + model_only_neighbors: false + output_prefix: testoutputs/binder_test + write_trajectory: true + scaffold_guided: false + model_runner: SelfConditioning + cautious: true + align_motif: true + symmetric_self_cond: true + final_step: 1 + deterministic: false + trb_save_ckpt_path: null + schedule_directory_path: null + model_directory_path: null +contigmap: + contigs: + - A4-185/0 B24-228/0 C26-313/0 D30-233/0 E19-459/0 F27-454/0 G1106-1212/0 H85-835/0 + 800-800 + inpaint_seq: null + provide_seq: null + length: null +model: + n_extra_block: 4 + n_main_block: 32 + n_ref_block: 4 + d_msa: 256 + d_msa_full: 64 + d_pair: 128 + d_templ: 64 + n_head_msa: 8 + n_head_pair: 4 + n_head_templ: 4 + d_hidden: 32 + d_hidden_templ: 32 + p_drop: 0.15 + SE3_param_full: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 8 + l0_out_features: 8 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 32 + SE3_param_topk: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 64 + l0_out_features: 64 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 64 + freeze_track_motif: false + use_motif_timestep: false +diffuser: + T: 50 + b_0: 0.01 + b_T: 0.07 + schedule_type: linear + so3_type: igso3 + crd_scale: 0.25 + partial_T: null + so3_schedule_type: linear + min_b: 1.5 + max_b: 2.5 + min_sigma: 0.02 + max_sigma: 1.5 +denoiser: + noise_scale_ca: 1 + final_noise_scale_ca: 1 + ca_noise_schedule_type: constant + noise_scale_frame: 1 + final_noise_scale_frame: 1 + frame_noise_schedule_type: constant +ppi: + hotspot_res: + - A16 + - A20 + - A21 + - A22 + - A55 + - A56 + - A115 + - A121 + - A145 + - B97 + - B98 + - B116 + - B118 + - B119 + - B151 + - B153 + - B154 + - B156 + - B190 + - C78 + - C80 + - C218 + - C260 + - C312 + - D81 + - D102 + - D135 + - D136 + - D140 + - D174 + - D175 + - E156 + - E285 + - E286 + - E311 + - E400 + - F137 + - F281 + - F313 + - F314 + - G1141 + - G1155 + - G1175 + - G1178 + - H564 + - H566 + - H568 +potentials: + guiding_potentials: null + guide_scale: 10 + guide_decay: constant + olig_inter_all: null + olig_intra_all: null + olig_custom_contact: null + substrate: null +contig_settings: + ref_idx: null + hal_idx: null + idx_rf: null + inpaint_seq_tensor: null +preprocess: + sidechain_input: false + motif_sidechain_input: true + d_t1d: 22 + d_t2d: 44 + prob_self_cond: 0.0 + str_self_cond: false + predict_previous: false +logging: + inputs: false +scaffoldguided: + scaffoldguided: false + target_pdb: false + target_path: null + scaffold_list: null + scaffold_dir: null + sampled_insertion: 0 + sampled_N: 0 + sampled_C: 0 + ss_mask: 0 + systematic: false + target_ss: null + target_adj: null + mask_loops: true + contig_crop: null diff --git a/RFdiffusion/outputs/2024-04-19/16-31-52/.hydra/hydra.yaml b/RFdiffusion/outputs/2024-04-19/16-31-52/.hydra/hydra.yaml new file mode 100644 index 0000000000000000000000000000000000000000..8d909fdb99d976daed86393f0aeebe9ac0ced21e --- /dev/null +++ b/RFdiffusion/outputs/2024-04-19/16-31-52/.hydra/hydra.yaml @@ -0,0 +1,163 @@ +hydra: + run: + dir: outputs/${now:%Y-%m-%d}/${now:%H-%M-%S} + sweep: + dir: multirun/${now:%Y-%m-%d}/${now:%H-%M-%S} + subdir: ${hydra.job.num} + launcher: + _target_: hydra._internal.core_plugins.basic_launcher.BasicLauncher + sweeper: + _target_: hydra._internal.core_plugins.basic_sweeper.BasicSweeper + max_batch_size: null + params: null + help: + app_name: ${hydra.job.name} + header: '${hydra.help.app_name} is powered by Hydra. + + ' + footer: 'Powered by Hydra (https://hydra.cc) + + Use --hydra-help to view Hydra specific help + + ' + template: '${hydra.help.header} + + == Configuration groups == + + Compose your configuration from those groups (group=option) + + + $APP_CONFIG_GROUPS + + + == Config == + + Override anything in the config (foo.bar=value) + + + $CONFIG + + + ${hydra.help.footer} + + ' + hydra_help: + template: 'Hydra (${hydra.runtime.version}) + + See https://hydra.cc for more info. + + + == Flags == + + $FLAGS_HELP + + + == Configuration groups == + + Compose your configuration from those groups (For example, append hydra/job_logging=disabled + to command line) + + + $HYDRA_CONFIG_GROUPS + + + Use ''--cfg hydra'' to Show the Hydra config. + + ' + hydra_help: ??? + hydra_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][HYDRA] %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + root: + level: INFO + handlers: + - console + loggers: + logging_example: + level: DEBUG + disable_existing_loggers: false + job_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][%(name)s][%(levelname)s] - %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + file: + class: logging.FileHandler + formatter: simple + filename: ${hydra.runtime.output_dir}/${hydra.job.name}.log + root: + level: INFO + handlers: + - console + - file + disable_existing_loggers: false + env: {} + mode: RUN + searchpath: [] + callbacks: {} + output_subdir: .hydra + overrides: + hydra: + - hydra.mode=RUN + task: + - inference.output_prefix=./ + - inference.input_pdb=C:\Users\adminisiterlator\Desktop\fordesignpdb\combine.pdb + - contigmap.contigs=[A4-185/0 B24-228/0 C26-313/0 D30-233/0 E19-459/0 F27-454/0 + G1106-1212/0 H85-835/0 800-800] + - ppi.hotspot_res=[A16,A20,A21,A22,A55,A56,A115,A121,A145,B97,B98,B116,B118,B119,B151,B153,B154,B156,B190,C78,C80,C218,C260,C312,D81,D102,D135,D136,D140,D174,D175,E156,E285,E286,E311,E400,F137,F281,F313,F314,G1141,G1155,G1175,G1178,H564,H566,H568] + - inference.output_prefix=testoutputs/binder_test + - inference.num_designs=1 + - inference.ckpt_override_path=models/Complex_beta_ckpt.pt + job: + name: run_inference + chdir: null + override_dirname: contigmap.contigs=[A4-185/0 B24-228/0 C26-313/0 D30-233/0 E19-459/0 + F27-454/0 G1106-1212/0 H85-835/0 800-800],inference.ckpt_override_path=models/Complex_beta_ckpt.pt,inference.input_pdb=C:\Users\adminisiterlator\Desktop\fordesignpdb\combine.pdb,inference.num_designs=1,inference.output_prefix=./,inference.output_prefix=testoutputs/binder_test,ppi.hotspot_res=[A16,A20,A21,A22,A55,A56,A115,A121,A145,B97,B98,B116,B118,B119,B151,B153,B154,B156,B190,C78,C80,C218,C260,C312,D81,D102,D135,D136,D140,D174,D175,E156,E285,E286,E311,E400,F137,F281,F313,F314,G1141,G1155,G1175,G1178,H564,H566,H568] + id: ??? + num: ??? + config_name: base + env_set: {} + env_copy: [] + config: + override_dirname: + kv_sep: '=' + item_sep: ',' + exclude_keys: [] + runtime: + version: 1.3.2 + version_base: '1.3' + cwd: C:\Users\adminisiterlator\RFdiffusion + config_sources: + - path: hydra.conf + schema: pkg + provider: hydra + - path: C:\Users\adminisiterlator\RFdiffusion\config\inference + schema: file + provider: main + - path: '' + schema: structured + provider: schema + output_dir: C:\Users\adminisiterlator\RFdiffusion\outputs\2024-04-19\16-31-52 + choices: + hydra/env: default + hydra/callbacks: null + hydra/job_logging: default + hydra/hydra_logging: default + hydra/hydra_help: default + hydra/help: default + hydra/sweeper: basic + hydra/launcher: basic + hydra/output: default + verbose: false diff --git a/RFdiffusion/outputs/2024-04-19/16-31-52/.hydra/overrides.yaml b/RFdiffusion/outputs/2024-04-19/16-31-52/.hydra/overrides.yaml new file mode 100644 index 0000000000000000000000000000000000000000..8862e2af03001eb1a4c2dd73fd6f5474a29cd4aa --- /dev/null +++ b/RFdiffusion/outputs/2024-04-19/16-31-52/.hydra/overrides.yaml @@ -0,0 +1,8 @@ +- inference.output_prefix=./ +- inference.input_pdb=C:\Users\adminisiterlator\Desktop\fordesignpdb\combine.pdb +- contigmap.contigs=[A4-185/0 B24-228/0 C26-313/0 D30-233/0 E19-459/0 F27-454/0 G1106-1212/0 + H85-835/0 800-800] +- ppi.hotspot_res=[A16,A20,A21,A22,A55,A56,A115,A121,A145,B97,B98,B116,B118,B119,B151,B153,B154,B156,B190,C78,C80,C218,C260,C312,D81,D102,D135,D136,D140,D174,D175,E156,E285,E286,E311,E400,F137,F281,F313,F314,G1141,G1155,G1175,G1178,H564,H566,H568] +- inference.output_prefix=testoutputs/binder_test +- inference.num_designs=1 +- inference.ckpt_override_path=models/Complex_beta_ckpt.pt diff --git a/RFdiffusion/outputs/2024-04-19/16-31-52/run_inference.log b/RFdiffusion/outputs/2024-04-19/16-31-52/run_inference.log new file mode 100644 index 0000000000000000000000000000000000000000..29ea623638b20d68ebc4d96a9b7a7b521edecc77 --- /dev/null +++ b/RFdiffusion/outputs/2024-04-19/16-31-52/run_inference.log @@ -0,0 +1,6 @@ +[2024-04-19 16:31:52,555][__main__][INFO] - Found GPU with device_name NVIDIA GeForce RTX 2060. Will run RFdiffusion on NVIDIA GeForce RTX 2060 +[2024-04-19 16:31:52,558][rfdiffusion.inference.model_runners][INFO] - Reading checkpoint from models/Complex_beta_ckpt.pt +[2024-04-19 16:31:56,788][rfdiffusion.inference.model_runners][INFO] - Loading checkpoint. +[2024-04-19 16:32:02,865][rfdiffusion.diffusion][INFO] - Using cached IGSO3. +[2024-04-19 16:32:04,518][__main__][INFO] - Making design testoutputs/binder_test_0 +[2024-04-19 16:32:06,179][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A4-185/0 B24-228/0 C26-313/0 D30-233/0 E19-459/0 F27-454/0 G1106-1212/0 H85-835/0 800-800'] diff --git a/RFdiffusion/outputs/2024-04-19/16-40-20/.hydra/config.yaml b/RFdiffusion/outputs/2024-04-19/16-40-20/.hydra/config.yaml new file mode 100644 index 0000000000000000000000000000000000000000..226befc93cd201e7ffc14684f05272df7a0083c3 --- /dev/null +++ b/RFdiffusion/outputs/2024-04-19/16-40-20/.hydra/config.yaml @@ -0,0 +1,173 @@ +inference: + input_pdb: C:\Users\adminisiterlator\Desktop\fordesignpdb\combine.pdb + num_designs: 1 + design_startnum: 0 + ckpt_override_path: models/Complex_beta_ckpt.pt + symmetry: null + recenter: true + radius: 10.0 + model_only_neighbors: false + output_prefix: testoutputs/binder_test + write_trajectory: true + scaffold_guided: false + model_runner: SelfConditioning + cautious: true + align_motif: true + symmetric_self_cond: true + final_step: 1 + deterministic: false + trb_save_ckpt_path: null + schedule_directory_path: null + model_directory_path: null +contigmap: + contigs: + - A4-185/0 B24-228/0 C26-313/0 D30-233/0 E19-459/0 F27-454/0 G1106-1212/0 H85-835/0 + 800-800 + inpaint_seq: null + provide_seq: null + length: null +model: + n_extra_block: 4 + n_main_block: 32 + n_ref_block: 4 + d_msa: 256 + d_msa_full: 64 + d_pair: 128 + d_templ: 64 + n_head_msa: 8 + n_head_pair: 4 + n_head_templ: 4 + d_hidden: 32 + d_hidden_templ: 32 + p_drop: 0.15 + SE3_param_full: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 8 + l0_out_features: 8 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 32 + SE3_param_topk: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 64 + l0_out_features: 64 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 64 + freeze_track_motif: false + use_motif_timestep: false +diffuser: + T: 50 + b_0: 0.01 + b_T: 0.07 + schedule_type: linear + so3_type: igso3 + crd_scale: 0.25 + partial_T: null + so3_schedule_type: linear + min_b: 1.5 + max_b: 2.5 + min_sigma: 0.02 + max_sigma: 1.5 +denoiser: + noise_scale_ca: 1 + final_noise_scale_ca: 1 + ca_noise_schedule_type: constant + noise_scale_frame: 1 + final_noise_scale_frame: 1 + frame_noise_schedule_type: constant +ppi: + hotspot_res: + - A16 + - A20 + - A21 + - A22 + - A55 + - A56 + - A115 + - A121 + - A145 + - B97 + - B98 + - B116 + - B118 + - B119 + - B151 + - B153 + - B154 + - B156 + - B190 + - C78 + - C80 + - C218 + - C260 + - C312 + - D81 + - D102 + - D135 + - D136 + - D140 + - D174 + - D175 + - E156 + - E285 + - E286 + - E311 + - E400 + - F137 + - F281 + - F313 + - F314 + - G1141 + - G1155 + - G1175 + - G1178 + - H564 + - H566 + - H568 +potentials: + guiding_potentials: null + guide_scale: 10 + guide_decay: constant + olig_inter_all: null + olig_intra_all: null + olig_custom_contact: null + substrate: null +contig_settings: + ref_idx: null + hal_idx: null + idx_rf: null + inpaint_seq_tensor: null +preprocess: + sidechain_input: false + motif_sidechain_input: true + d_t1d: 22 + d_t2d: 44 + prob_self_cond: 0.0 + str_self_cond: false + predict_previous: false +logging: + inputs: false +scaffoldguided: + scaffoldguided: false + target_pdb: false + target_path: null + scaffold_list: null + scaffold_dir: null + sampled_insertion: 0 + sampled_N: 0 + sampled_C: 0 + ss_mask: 0 + systematic: false + target_ss: null + target_adj: null + mask_loops: true + contig_crop: null diff --git a/RFdiffusion/outputs/2024-04-19/16-40-20/.hydra/hydra.yaml b/RFdiffusion/outputs/2024-04-19/16-40-20/.hydra/hydra.yaml new file mode 100644 index 0000000000000000000000000000000000000000..7df49d442e7d5b01c55d68bdac613cebaaf25fac --- /dev/null +++ b/RFdiffusion/outputs/2024-04-19/16-40-20/.hydra/hydra.yaml @@ -0,0 +1,163 @@ +hydra: + run: + dir: outputs/${now:%Y-%m-%d}/${now:%H-%M-%S} + sweep: + dir: multirun/${now:%Y-%m-%d}/${now:%H-%M-%S} + subdir: ${hydra.job.num} + launcher: + _target_: hydra._internal.core_plugins.basic_launcher.BasicLauncher + sweeper: + _target_: hydra._internal.core_plugins.basic_sweeper.BasicSweeper + max_batch_size: null + params: null + help: + app_name: ${hydra.job.name} + header: '${hydra.help.app_name} is powered by Hydra. + + ' + footer: 'Powered by Hydra (https://hydra.cc) + + Use --hydra-help to view Hydra specific help + + ' + template: '${hydra.help.header} + + == Configuration groups == + + Compose your configuration from those groups (group=option) + + + $APP_CONFIG_GROUPS + + + == Config == + + Override anything in the config (foo.bar=value) + + + $CONFIG + + + ${hydra.help.footer} + + ' + hydra_help: + template: 'Hydra (${hydra.runtime.version}) + + See https://hydra.cc for more info. + + + == Flags == + + $FLAGS_HELP + + + == Configuration groups == + + Compose your configuration from those groups (For example, append hydra/job_logging=disabled + to command line) + + + $HYDRA_CONFIG_GROUPS + + + Use ''--cfg hydra'' to Show the Hydra config. + + ' + hydra_help: ??? + hydra_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][HYDRA] %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + root: + level: INFO + handlers: + - console + loggers: + logging_example: + level: DEBUG + disable_existing_loggers: false + job_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][%(name)s][%(levelname)s] - %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + file: + class: logging.FileHandler + formatter: simple + filename: ${hydra.runtime.output_dir}/${hydra.job.name}.log + root: + level: INFO + handlers: + - console + - file + disable_existing_loggers: false + env: {} + mode: RUN + searchpath: [] + callbacks: {} + output_subdir: .hydra + overrides: + hydra: + - hydra.mode=RUN + task: + - inference.output_prefix=./ + - inference.input_pdb=C:\Users\adminisiterlator\Desktop\fordesignpdb\combine.pdb + - contigmap.contigs=[A4-185/0 B24-228/0 C26-313/0 D30-233/0 E19-459/0 F27-454/0 + G1106-1212/0 H85-835/0 800-800] + - ppi.hotspot_res=[A16,A20,A21,A22,A55,A56,A115,A121,A145,B97,B98,B116,B118,B119,B151,B153,B154,B156,B190,C78,C80,C218,C260,C312,D81,D102,D135,D136,D140,D174,D175,E156,E285,E286,E311,E400,F137,F281,F313,F314,G1141,G1155,G1175,G1178,H564,H566,H568] + - inference.output_prefix=testoutputs/binder_test + - inference.num_designs=1 + - inference.ckpt_override_path=models/Complex_beta_ckpt.pt + job: + name: run_inference + chdir: null + override_dirname: contigmap.contigs=[A4-185/0 B24-228/0 C26-313/0 D30-233/0 E19-459/0 + F27-454/0 G1106-1212/0 H85-835/0 800-800],inference.ckpt_override_path=models/Complex_beta_ckpt.pt,inference.input_pdb=C:\Users\adminisiterlator\Desktop\fordesignpdb\combine.pdb,inference.num_designs=1,inference.output_prefix=./,inference.output_prefix=testoutputs/binder_test,ppi.hotspot_res=[A16,A20,A21,A22,A55,A56,A115,A121,A145,B97,B98,B116,B118,B119,B151,B153,B154,B156,B190,C78,C80,C218,C260,C312,D81,D102,D135,D136,D140,D174,D175,E156,E285,E286,E311,E400,F137,F281,F313,F314,G1141,G1155,G1175,G1178,H564,H566,H568] + id: ??? + num: ??? + config_name: base + env_set: {} + env_copy: [] + config: + override_dirname: + kv_sep: '=' + item_sep: ',' + exclude_keys: [] + runtime: + version: 1.3.2 + version_base: '1.3' + cwd: C:\Users\adminisiterlator\RFdiffusion + config_sources: + - path: hydra.conf + schema: pkg + provider: hydra + - path: C:\Users\adminisiterlator\RFdiffusion\config\inference + schema: file + provider: main + - path: '' + schema: structured + provider: schema + output_dir: C:\Users\adminisiterlator\RFdiffusion\outputs\2024-04-19\16-40-20 + choices: + hydra/env: default + hydra/callbacks: null + hydra/job_logging: default + hydra/hydra_logging: default + hydra/hydra_help: default + hydra/help: default + hydra/sweeper: basic + hydra/launcher: basic + hydra/output: default + verbose: false diff --git a/RFdiffusion/outputs/2024-04-19/16-40-20/.hydra/overrides.yaml b/RFdiffusion/outputs/2024-04-19/16-40-20/.hydra/overrides.yaml new file mode 100644 index 0000000000000000000000000000000000000000..8862e2af03001eb1a4c2dd73fd6f5474a29cd4aa --- /dev/null +++ b/RFdiffusion/outputs/2024-04-19/16-40-20/.hydra/overrides.yaml @@ -0,0 +1,8 @@ +- inference.output_prefix=./ +- inference.input_pdb=C:\Users\adminisiterlator\Desktop\fordesignpdb\combine.pdb +- contigmap.contigs=[A4-185/0 B24-228/0 C26-313/0 D30-233/0 E19-459/0 F27-454/0 G1106-1212/0 + H85-835/0 800-800] +- ppi.hotspot_res=[A16,A20,A21,A22,A55,A56,A115,A121,A145,B97,B98,B116,B118,B119,B151,B153,B154,B156,B190,C78,C80,C218,C260,C312,D81,D102,D135,D136,D140,D174,D175,E156,E285,E286,E311,E400,F137,F281,F313,F314,G1141,G1155,G1175,G1178,H564,H566,H568] +- inference.output_prefix=testoutputs/binder_test +- inference.num_designs=1 +- inference.ckpt_override_path=models/Complex_beta_ckpt.pt diff --git a/RFdiffusion/outputs/2024-04-19/16-40-20/run_inference.log b/RFdiffusion/outputs/2024-04-19/16-40-20/run_inference.log new file mode 100644 index 0000000000000000000000000000000000000000..1acada41105045a7be4ff80c6e7a2fd48cc52e85 --- /dev/null +++ b/RFdiffusion/outputs/2024-04-19/16-40-20/run_inference.log @@ -0,0 +1,6 @@ +[2024-04-19 16:40:20,892][__main__][INFO] - Found GPU with device_name NVIDIA GeForce RTX 2060. Will run RFdiffusion on NVIDIA GeForce RTX 2060 +[2024-04-19 16:40:20,892][rfdiffusion.inference.model_runners][INFO] - Reading checkpoint from models/Complex_beta_ckpt.pt +[2024-04-19 16:40:25,274][rfdiffusion.inference.model_runners][INFO] - Loading checkpoint. +[2024-04-19 16:40:31,349][rfdiffusion.diffusion][INFO] - Using cached IGSO3. +[2024-04-19 16:40:32,959][__main__][INFO] - Making design testoutputs/binder_test_0 +[2024-04-19 16:40:34,728][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A4-185/0 B24-228/0 C26-313/0 D30-233/0 E19-459/0 F27-454/0 G1106-1212/0 H85-835/0 800-800'] diff --git a/RFdiffusion/outputs/2024-04-19/17-06-48/.hydra/config.yaml b/RFdiffusion/outputs/2024-04-19/17-06-48/.hydra/config.yaml new file mode 100644 index 0000000000000000000000000000000000000000..226befc93cd201e7ffc14684f05272df7a0083c3 --- /dev/null +++ b/RFdiffusion/outputs/2024-04-19/17-06-48/.hydra/config.yaml @@ -0,0 +1,173 @@ +inference: + input_pdb: C:\Users\adminisiterlator\Desktop\fordesignpdb\combine.pdb + num_designs: 1 + design_startnum: 0 + ckpt_override_path: models/Complex_beta_ckpt.pt + symmetry: null + recenter: true + radius: 10.0 + model_only_neighbors: false + output_prefix: testoutputs/binder_test + write_trajectory: true + scaffold_guided: false + model_runner: SelfConditioning + cautious: true + align_motif: true + symmetric_self_cond: true + final_step: 1 + deterministic: false + trb_save_ckpt_path: null + schedule_directory_path: null + model_directory_path: null +contigmap: + contigs: + - A4-185/0 B24-228/0 C26-313/0 D30-233/0 E19-459/0 F27-454/0 G1106-1212/0 H85-835/0 + 800-800 + inpaint_seq: null + provide_seq: null + length: null +model: + n_extra_block: 4 + n_main_block: 32 + n_ref_block: 4 + d_msa: 256 + d_msa_full: 64 + d_pair: 128 + d_templ: 64 + n_head_msa: 8 + n_head_pair: 4 + n_head_templ: 4 + d_hidden: 32 + d_hidden_templ: 32 + p_drop: 0.15 + SE3_param_full: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 8 + l0_out_features: 8 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 32 + SE3_param_topk: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 64 + l0_out_features: 64 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 64 + freeze_track_motif: false + use_motif_timestep: false +diffuser: + T: 50 + b_0: 0.01 + b_T: 0.07 + schedule_type: linear + so3_type: igso3 + crd_scale: 0.25 + partial_T: null + so3_schedule_type: linear + min_b: 1.5 + max_b: 2.5 + min_sigma: 0.02 + max_sigma: 1.5 +denoiser: + noise_scale_ca: 1 + final_noise_scale_ca: 1 + ca_noise_schedule_type: constant + noise_scale_frame: 1 + final_noise_scale_frame: 1 + frame_noise_schedule_type: constant +ppi: + hotspot_res: + - A16 + - A20 + - A21 + - A22 + - A55 + - A56 + - A115 + - A121 + - A145 + - B97 + - B98 + - B116 + - B118 + - B119 + - B151 + - B153 + - B154 + - B156 + - B190 + - C78 + - C80 + - C218 + - C260 + - C312 + - D81 + - D102 + - D135 + - D136 + - D140 + - D174 + - D175 + - E156 + - E285 + - E286 + - E311 + - E400 + - F137 + - F281 + - F313 + - F314 + - G1141 + - G1155 + - G1175 + - G1178 + - H564 + - H566 + - H568 +potentials: + guiding_potentials: null + guide_scale: 10 + guide_decay: constant + olig_inter_all: null + olig_intra_all: null + olig_custom_contact: null + substrate: null +contig_settings: + ref_idx: null + hal_idx: null + idx_rf: null + inpaint_seq_tensor: null +preprocess: + sidechain_input: false + motif_sidechain_input: true + d_t1d: 22 + d_t2d: 44 + prob_self_cond: 0.0 + str_self_cond: false + predict_previous: false +logging: + inputs: false +scaffoldguided: + scaffoldguided: false + target_pdb: false + target_path: null + scaffold_list: null + scaffold_dir: null + sampled_insertion: 0 + sampled_N: 0 + sampled_C: 0 + ss_mask: 0 + systematic: false + target_ss: null + target_adj: null + mask_loops: true + contig_crop: null diff --git a/RFdiffusion/outputs/2024-04-19/17-06-48/.hydra/hydra.yaml b/RFdiffusion/outputs/2024-04-19/17-06-48/.hydra/hydra.yaml new file mode 100644 index 0000000000000000000000000000000000000000..e232645a11448d5d2042f857020fda8149b314e8 --- /dev/null +++ b/RFdiffusion/outputs/2024-04-19/17-06-48/.hydra/hydra.yaml @@ -0,0 +1,163 @@ +hydra: + run: + dir: outputs/${now:%Y-%m-%d}/${now:%H-%M-%S} + sweep: + dir: multirun/${now:%Y-%m-%d}/${now:%H-%M-%S} + subdir: ${hydra.job.num} + launcher: + _target_: hydra._internal.core_plugins.basic_launcher.BasicLauncher + sweeper: + _target_: hydra._internal.core_plugins.basic_sweeper.BasicSweeper + max_batch_size: null + params: null + help: + app_name: ${hydra.job.name} + header: '${hydra.help.app_name} is powered by Hydra. + + ' + footer: 'Powered by Hydra (https://hydra.cc) + + Use --hydra-help to view Hydra specific help + + ' + template: '${hydra.help.header} + + == Configuration groups == + + Compose your configuration from those groups (group=option) + + + $APP_CONFIG_GROUPS + + + == Config == + + Override anything in the config (foo.bar=value) + + + $CONFIG + + + ${hydra.help.footer} + + ' + hydra_help: + template: 'Hydra (${hydra.runtime.version}) + + See https://hydra.cc for more info. + + + == Flags == + + $FLAGS_HELP + + + == Configuration groups == + + Compose your configuration from those groups (For example, append hydra/job_logging=disabled + to command line) + + + $HYDRA_CONFIG_GROUPS + + + Use ''--cfg hydra'' to Show the Hydra config. + + ' + hydra_help: ??? + hydra_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][HYDRA] %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + root: + level: INFO + handlers: + - console + loggers: + logging_example: + level: DEBUG + disable_existing_loggers: false + job_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][%(name)s][%(levelname)s] - %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + file: + class: logging.FileHandler + formatter: simple + filename: ${hydra.runtime.output_dir}/${hydra.job.name}.log + root: + level: INFO + handlers: + - console + - file + disable_existing_loggers: false + env: {} + mode: RUN + searchpath: [] + callbacks: {} + output_subdir: .hydra + overrides: + hydra: + - hydra.mode=RUN + task: + - inference.output_prefix=./ + - inference.input_pdb=C:\Users\adminisiterlator\Desktop\fordesignpdb\combine.pdb + - contigmap.contigs=[A4-185/0 B24-228/0 C26-313/0 D30-233/0 E19-459/0 F27-454/0 + G1106-1212/0 H85-835/0 800-800] + - ppi.hotspot_res=[A16,A20,A21,A22,A55,A56,A115,A121,A145,B97,B98,B116,B118,B119,B151,B153,B154,B156,B190,C78,C80,C218,C260,C312,D81,D102,D135,D136,D140,D174,D175,E156,E285,E286,E311,E400,F137,F281,F313,F314,G1141,G1155,G1175,G1178,H564,H566,H568] + - inference.output_prefix=testoutputs/binder_test + - inference.num_designs=1 + - inference.ckpt_override_path=models/Complex_beta_ckpt.pt + job: + name: run_inference + chdir: null + override_dirname: contigmap.contigs=[A4-185/0 B24-228/0 C26-313/0 D30-233/0 E19-459/0 + F27-454/0 G1106-1212/0 H85-835/0 800-800],inference.ckpt_override_path=models/Complex_beta_ckpt.pt,inference.input_pdb=C:\Users\adminisiterlator\Desktop\fordesignpdb\combine.pdb,inference.num_designs=1,inference.output_prefix=./,inference.output_prefix=testoutputs/binder_test,ppi.hotspot_res=[A16,A20,A21,A22,A55,A56,A115,A121,A145,B97,B98,B116,B118,B119,B151,B153,B154,B156,B190,C78,C80,C218,C260,C312,D81,D102,D135,D136,D140,D174,D175,E156,E285,E286,E311,E400,F137,F281,F313,F314,G1141,G1155,G1175,G1178,H564,H566,H568] + id: ??? + num: ??? + config_name: base + env_set: {} + env_copy: [] + config: + override_dirname: + kv_sep: '=' + item_sep: ',' + exclude_keys: [] + runtime: + version: 1.3.2 + version_base: '1.3' + cwd: C:\Users\adminisiterlator\RFdiffusion + config_sources: + - path: hydra.conf + schema: pkg + provider: hydra + - path: C:\Users\adminisiterlator\RFdiffusion\config\inference + schema: file + provider: main + - path: '' + schema: structured + provider: schema + output_dir: C:\Users\adminisiterlator\RFdiffusion\outputs\2024-04-19\17-06-48 + choices: + hydra/env: default + hydra/callbacks: null + hydra/job_logging: default + hydra/hydra_logging: default + hydra/hydra_help: default + hydra/help: default + hydra/sweeper: basic + hydra/launcher: basic + hydra/output: default + verbose: false diff --git a/RFdiffusion/outputs/2024-04-19/17-06-48/.hydra/overrides.yaml b/RFdiffusion/outputs/2024-04-19/17-06-48/.hydra/overrides.yaml new file mode 100644 index 0000000000000000000000000000000000000000..8862e2af03001eb1a4c2dd73fd6f5474a29cd4aa --- /dev/null +++ b/RFdiffusion/outputs/2024-04-19/17-06-48/.hydra/overrides.yaml @@ -0,0 +1,8 @@ +- inference.output_prefix=./ +- inference.input_pdb=C:\Users\adminisiterlator\Desktop\fordesignpdb\combine.pdb +- contigmap.contigs=[A4-185/0 B24-228/0 C26-313/0 D30-233/0 E19-459/0 F27-454/0 G1106-1212/0 + H85-835/0 800-800] +- ppi.hotspot_res=[A16,A20,A21,A22,A55,A56,A115,A121,A145,B97,B98,B116,B118,B119,B151,B153,B154,B156,B190,C78,C80,C218,C260,C312,D81,D102,D135,D136,D140,D174,D175,E156,E285,E286,E311,E400,F137,F281,F313,F314,G1141,G1155,G1175,G1178,H564,H566,H568] +- inference.output_prefix=testoutputs/binder_test +- inference.num_designs=1 +- inference.ckpt_override_path=models/Complex_beta_ckpt.pt diff --git a/RFdiffusion/outputs/2024-04-19/17-06-48/run_inference.log b/RFdiffusion/outputs/2024-04-19/17-06-48/run_inference.log new file mode 100644 index 0000000000000000000000000000000000000000..ed562325de69431c0e0e0c72c902f4a443ae930b --- /dev/null +++ b/RFdiffusion/outputs/2024-04-19/17-06-48/run_inference.log @@ -0,0 +1,7 @@ +[2024-04-19 17:06:48,880][__main__][INFO] - Found GPU with device_name NVIDIA GeForce RTX 2060. Will run RFdiffusion on NVIDIA GeForce RTX 2060 +[2024-04-19 17:06:48,883][rfdiffusion.inference.model_runners][INFO] - Reading checkpoint from models/Complex_beta_ckpt.pt +[2024-04-19 17:06:53,012][rfdiffusion.inference.model_runners][INFO] - Loading checkpoint. +[2024-04-19 17:06:59,016][rfdiffusion.diffusion][INFO] - Using cached IGSO3. +[2024-04-19 17:07:00,666][__main__][INFO] - Making design testoutputs/binder_test_0 +[2024-04-19 17:07:02,366][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A4-185/0 B24-228/0 C26-313/0 D30-233/0 E19-459/0 F27-454/0 G1106-1212/0 H85-835/0 800-800'] +[2024-04-19 17:07:03,129][rfdiffusion.inference.model_runners][INFO] - Sequence init: --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------LNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPEYPGVLSDVQEEKGIKYKFEVYEKNRTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAAMHPPHGELQYLGQIQHILRCGVRKDDRTGTGTLSVFGMQARYSLRDEFPLLTTKRVFWKGVLEELLWFIKGSTNAKELSSKGVKIWDANGSRDFLDSLGFSTREEGDLGPVYGFQWRHFGAEYRDMESDYSGQGVDQLQRVIDTIKTNPDDRRIIMCAWNPRDLPLMALPPCHALCQFYVVNSELSCQLYQRSGDMGLGVPFNIASYALLTYMIAHITGLKPGDFIHTLGDAHIYLNHIEPLKIQLQREPRPFPKLRILRKVEKIDDFKAEDFQIEGYNPHPTIKMEMAVRTELLNVCMNAKHHKEKPGPEDKLHEQCRPWRKNACCSTNTSQEAHKDVSYLYRFNWNHCGEMAPACKRHFIQDTCLYECSPNLGPWIQQVDQSWRKERVLNVPLCKEDCEQWWEDCRTSYTCKSNWHKGWNWTSGFNKCAVGAACQPFHFYFPTPTVLCNEIWTHSYKVSNYSRGSGRCIQMWFDPAQGNPNEEVARFYAAAMVLCRGPVEPLVFLANFALVLQGPLTTQYLWHRFSADLGYNGTRQRGGCSNRSADPTMQEVETLTSHWTLYMNVGGFLVGLFSSTLLGAWSDSVGRRPLLVLASLGLLLQALVSVFVVQLQLHVGYFVLGRILCALLGDFGGLLAASFASVADVSSSRSRTFRMALLEASIGVAGMLASLLGGHWLRAQGYANPFWLALALLIAMTLYAAFCFGETLKEPKSTRLFTFRHHRSIVQLYVAPAPEKSRKHLALYSLAIFVVITVHFGAQDILTLYELSTPLCWDSKLIGYGSAAQHLPYLTSLLALKLLQYCLADAWVAEIGLAFNILGMVVFAFATITPLMFTGYGLLFLSLVITPVIRAKLSKLVRETEQGALFSAVACVNSLAMLTASGIFNSLYPATLNFMKGFPFLLGAGLLLIPAVLIGMLEKADPHLEFQQFPQSPHLVCYLCFYGFMAQIRPGESFITPYLLGPDKNFTREQVTNEITPVLSYSYLAVLVPVFLLTDYLRYTPVLLLQGLSFVSVWLLLLLGHSVAHMQLMELFYSVTMAARIAYSSYIFSLVRPARYQRVAGYSRAAVLLGVFTSSVLGQLLVTVGRVSFSTLNYISLAFLTFSVVLALFLKRPKRSLFFNRDDRGRCETSASELERMNPGPGGKLGHALRVACGDSVLARMLRELGDSLRRPQLRLWSLWWVFNSAGYYLVVYYVHILWNEVDPTTNSARVYNGAADAASTLLGAITSFAAGFVKIRWARWSKLLIAGVTATQAGLVFLLAHTRHPSSIWLCYAAFVLFRGSYQFLVPIATFQIASSLSKELCALVFGVNTFFATIVKTIITFIVSDVRGLGLPVRKQFQLYSVYFLILSIIYFLGAMLDGGPTPLPWCPHLVAVCPIPAAGLDVTQPCGDCGTIQENWVCLSCYQVYCGRYINGHMLQHHGNSGHPLVLSYIDLSAWCYYCQAYVHHQALLDVKNIAHQNKFGEDMPGTGLVLDEQLNEFHCLWDDSFPEGPERLHAIKEQLIQEGLLDRCVSFQARFAEKEELMLVHSLEYIDLMETTQYMNEGELRVLADTYDSVYLHPNSYSCACLASGSVLRLVDAVLGAEIRNGMAIIRPPGHHAQHSLMDGYCMFNHVAVAARYAQQKHRIRRVLIVDWDVHHGQGTQFTFDQDPSVLYFSIHRYEQGRFWPHLKASNWSTTGFGQGQGYTINVPWNQVGMRDADYIAAFLHVLLPVALEFQPQLVLVAAGFDALQGDPKGEMAATPAGFAQLTHLLMGLAGGKLILSLEGGYNLRALAEGVSASLHTLLGDPCPMLESPGAPCRSAQASVSCALEALEPFWEVLVRSTETVERDNMEEDNVEESEEEGPWEPPVLPILTWPVLQSRTGLVYDQNMMNHCNLWDSHHPEVPQRILRIMCRLEELGLAGRCLTLTPRPATEAELLTCHSAEYVGHLRATEKMKTRELHRESSNFDSIYICPSTFACAQLATGAACRLVEAVLSGEVLNGAAVVRPPGHHAEQDAACGFCFFNSVAVAARHAQTISGHALRILIVDWDVHHGNGTQHMFEDDPSVLYVSLHRYDHGTFFPMGDEGASSQIGRAAGTGFTVNVAWNGPRMGDADYLAAWHRLVLPIAYEFNPELVLVSAGFDAARGDPLGGCQVSPEGYAHLTHLLMGLASGRIILILEGGYNLTSISESMAACTRSLLGDPPPLLTLPRPPLSGALASITETIQVHRRYWRSLR diff --git a/RFdiffusion/outputs/2024-04-19/17-14-10/.hydra/config.yaml b/RFdiffusion/outputs/2024-04-19/17-14-10/.hydra/config.yaml new file mode 100644 index 0000000000000000000000000000000000000000..226befc93cd201e7ffc14684f05272df7a0083c3 --- /dev/null +++ b/RFdiffusion/outputs/2024-04-19/17-14-10/.hydra/config.yaml @@ -0,0 +1,173 @@ +inference: + input_pdb: C:\Users\adminisiterlator\Desktop\fordesignpdb\combine.pdb + num_designs: 1 + design_startnum: 0 + ckpt_override_path: models/Complex_beta_ckpt.pt + symmetry: null + recenter: true + radius: 10.0 + model_only_neighbors: false + output_prefix: testoutputs/binder_test + write_trajectory: true + scaffold_guided: false + model_runner: SelfConditioning + cautious: true + align_motif: true + symmetric_self_cond: true + final_step: 1 + deterministic: false + trb_save_ckpt_path: null + schedule_directory_path: null + model_directory_path: null +contigmap: + contigs: + - A4-185/0 B24-228/0 C26-313/0 D30-233/0 E19-459/0 F27-454/0 G1106-1212/0 H85-835/0 + 800-800 + inpaint_seq: null + provide_seq: null + length: null +model: + n_extra_block: 4 + n_main_block: 32 + n_ref_block: 4 + d_msa: 256 + d_msa_full: 64 + d_pair: 128 + d_templ: 64 + n_head_msa: 8 + n_head_pair: 4 + n_head_templ: 4 + d_hidden: 32 + d_hidden_templ: 32 + p_drop: 0.15 + SE3_param_full: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 8 + l0_out_features: 8 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 32 + SE3_param_topk: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 64 + l0_out_features: 64 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 64 + freeze_track_motif: false + use_motif_timestep: false +diffuser: + T: 50 + b_0: 0.01 + b_T: 0.07 + schedule_type: linear + so3_type: igso3 + crd_scale: 0.25 + partial_T: null + so3_schedule_type: linear + min_b: 1.5 + max_b: 2.5 + min_sigma: 0.02 + max_sigma: 1.5 +denoiser: + noise_scale_ca: 1 + final_noise_scale_ca: 1 + ca_noise_schedule_type: constant + noise_scale_frame: 1 + final_noise_scale_frame: 1 + frame_noise_schedule_type: constant +ppi: + hotspot_res: + - A16 + - A20 + - A21 + - A22 + - A55 + - A56 + - A115 + - A121 + - A145 + - B97 + - B98 + - B116 + - B118 + - B119 + - B151 + - B153 + - B154 + - B156 + - B190 + - C78 + - C80 + - C218 + - C260 + - C312 + - D81 + - D102 + - D135 + - D136 + - D140 + - D174 + - D175 + - E156 + - E285 + - E286 + - E311 + - E400 + - F137 + - F281 + - F313 + - F314 + - G1141 + - G1155 + - G1175 + - G1178 + - H564 + - H566 + - H568 +potentials: + guiding_potentials: null + guide_scale: 10 + guide_decay: constant + olig_inter_all: null + olig_intra_all: null + olig_custom_contact: null + substrate: null +contig_settings: + ref_idx: null + hal_idx: null + idx_rf: null + inpaint_seq_tensor: null +preprocess: + sidechain_input: false + motif_sidechain_input: true + d_t1d: 22 + d_t2d: 44 + prob_self_cond: 0.0 + str_self_cond: false + predict_previous: false +logging: + inputs: false +scaffoldguided: + scaffoldguided: false + target_pdb: false + target_path: null + scaffold_list: null + scaffold_dir: null + sampled_insertion: 0 + sampled_N: 0 + sampled_C: 0 + ss_mask: 0 + systematic: false + target_ss: null + target_adj: null + mask_loops: true + contig_crop: null diff --git a/RFdiffusion/outputs/2024-04-19/17-14-10/.hydra/hydra.yaml b/RFdiffusion/outputs/2024-04-19/17-14-10/.hydra/hydra.yaml new file mode 100644 index 0000000000000000000000000000000000000000..cad73e26b29c4db8f7686cb0196e08f39336eae9 --- /dev/null +++ b/RFdiffusion/outputs/2024-04-19/17-14-10/.hydra/hydra.yaml @@ -0,0 +1,163 @@ +hydra: + run: + dir: outputs/${now:%Y-%m-%d}/${now:%H-%M-%S} + sweep: + dir: multirun/${now:%Y-%m-%d}/${now:%H-%M-%S} + subdir: ${hydra.job.num} + launcher: + _target_: hydra._internal.core_plugins.basic_launcher.BasicLauncher + sweeper: + _target_: hydra._internal.core_plugins.basic_sweeper.BasicSweeper + max_batch_size: null + params: null + help: + app_name: ${hydra.job.name} + header: '${hydra.help.app_name} is powered by Hydra. + + ' + footer: 'Powered by Hydra (https://hydra.cc) + + Use --hydra-help to view Hydra specific help + + ' + template: '${hydra.help.header} + + == Configuration groups == + + Compose your configuration from those groups (group=option) + + + $APP_CONFIG_GROUPS + + + == Config == + + Override anything in the config (foo.bar=value) + + + $CONFIG + + + ${hydra.help.footer} + + ' + hydra_help: + template: 'Hydra (${hydra.runtime.version}) + + See https://hydra.cc for more info. + + + == Flags == + + $FLAGS_HELP + + + == Configuration groups == + + Compose your configuration from those groups (For example, append hydra/job_logging=disabled + to command line) + + + $HYDRA_CONFIG_GROUPS + + + Use ''--cfg hydra'' to Show the Hydra config. + + ' + hydra_help: ??? + hydra_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][HYDRA] %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + root: + level: INFO + handlers: + - console + loggers: + logging_example: + level: DEBUG + disable_existing_loggers: false + job_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][%(name)s][%(levelname)s] - %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + file: + class: logging.FileHandler + formatter: simple + filename: ${hydra.runtime.output_dir}/${hydra.job.name}.log + root: + level: INFO + handlers: + - console + - file + disable_existing_loggers: false + env: {} + mode: RUN + searchpath: [] + callbacks: {} + output_subdir: .hydra + overrides: + hydra: + - hydra.mode=RUN + task: + - inference.output_prefix=./ + - inference.input_pdb=C:\Users\adminisiterlator\Desktop\fordesignpdb\combine.pdb + - contigmap.contigs=[A4-185/0 B24-228/0 C26-313/0 D30-233/0 E19-459/0 F27-454/0 + G1106-1212/0 H85-835/0 800-800] + - ppi.hotspot_res=[A16,A20,A21,A22,A55,A56,A115,A121,A145,B97,B98,B116,B118,B119,B151,B153,B154,B156,B190,C78,C80,C218,C260,C312,D81,D102,D135,D136,D140,D174,D175,E156,E285,E286,E311,E400,F137,F281,F313,F314,G1141,G1155,G1175,G1178,H564,H566,H568] + - inference.output_prefix=testoutputs/binder_test + - inference.num_designs=1 + - inference.ckpt_override_path=models/Complex_beta_ckpt.pt + job: + name: run_inference + chdir: null + override_dirname: contigmap.contigs=[A4-185/0 B24-228/0 C26-313/0 D30-233/0 E19-459/0 + F27-454/0 G1106-1212/0 H85-835/0 800-800],inference.ckpt_override_path=models/Complex_beta_ckpt.pt,inference.input_pdb=C:\Users\adminisiterlator\Desktop\fordesignpdb\combine.pdb,inference.num_designs=1,inference.output_prefix=./,inference.output_prefix=testoutputs/binder_test,ppi.hotspot_res=[A16,A20,A21,A22,A55,A56,A115,A121,A145,B97,B98,B116,B118,B119,B151,B153,B154,B156,B190,C78,C80,C218,C260,C312,D81,D102,D135,D136,D140,D174,D175,E156,E285,E286,E311,E400,F137,F281,F313,F314,G1141,G1155,G1175,G1178,H564,H566,H568] + id: ??? + num: ??? + config_name: base + env_set: {} + env_copy: [] + config: + override_dirname: + kv_sep: '=' + item_sep: ',' + exclude_keys: [] + runtime: + version: 1.3.2 + version_base: '1.3' + cwd: C:\Users\adminisiterlator\RFdiffusion + config_sources: + - path: hydra.conf + schema: pkg + provider: hydra + - path: C:\Users\adminisiterlator\RFdiffusion\config\inference + schema: file + provider: main + - path: '' + schema: structured + provider: schema + output_dir: C:\Users\adminisiterlator\RFdiffusion\outputs\2024-04-19\17-14-10 + choices: + hydra/env: default + hydra/callbacks: null + hydra/job_logging: default + hydra/hydra_logging: default + hydra/hydra_help: default + hydra/help: default + hydra/sweeper: basic + hydra/launcher: basic + hydra/output: default + verbose: false diff --git a/RFdiffusion/outputs/2024-04-19/17-14-10/.hydra/overrides.yaml b/RFdiffusion/outputs/2024-04-19/17-14-10/.hydra/overrides.yaml new file mode 100644 index 0000000000000000000000000000000000000000..8862e2af03001eb1a4c2dd73fd6f5474a29cd4aa --- /dev/null +++ b/RFdiffusion/outputs/2024-04-19/17-14-10/.hydra/overrides.yaml @@ -0,0 +1,8 @@ +- inference.output_prefix=./ +- inference.input_pdb=C:\Users\adminisiterlator\Desktop\fordesignpdb\combine.pdb +- contigmap.contigs=[A4-185/0 B24-228/0 C26-313/0 D30-233/0 E19-459/0 F27-454/0 G1106-1212/0 + H85-835/0 800-800] +- ppi.hotspot_res=[A16,A20,A21,A22,A55,A56,A115,A121,A145,B97,B98,B116,B118,B119,B151,B153,B154,B156,B190,C78,C80,C218,C260,C312,D81,D102,D135,D136,D140,D174,D175,E156,E285,E286,E311,E400,F137,F281,F313,F314,G1141,G1155,G1175,G1178,H564,H566,H568] +- inference.output_prefix=testoutputs/binder_test +- inference.num_designs=1 +- inference.ckpt_override_path=models/Complex_beta_ckpt.pt diff --git a/RFdiffusion/outputs/2024-04-19/17-14-10/run_inference.log b/RFdiffusion/outputs/2024-04-19/17-14-10/run_inference.log new file mode 100644 index 0000000000000000000000000000000000000000..a6a95ed61d0b4d80f6cb328ef2cff4e3a630e230 --- /dev/null +++ b/RFdiffusion/outputs/2024-04-19/17-14-10/run_inference.log @@ -0,0 +1,7 @@ +[2024-04-19 17:14:10,825][__main__][INFO] - Found GPU with device_name NVIDIA GeForce RTX 2060. Will run RFdiffusion on NVIDIA GeForce RTX 2060 +[2024-04-19 17:14:10,827][rfdiffusion.inference.model_runners][INFO] - Reading checkpoint from models/Complex_beta_ckpt.pt +[2024-04-19 17:14:14,880][rfdiffusion.inference.model_runners][INFO] - Loading checkpoint. +[2024-04-19 17:14:20,153][rfdiffusion.diffusion][INFO] - Using cached IGSO3. +[2024-04-19 17:14:21,600][__main__][INFO] - Making design testoutputs/binder_test_0 +[2024-04-19 17:14:23,157][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A4-185/0 B24-228/0 C26-313/0 D30-233/0 E19-459/0 F27-454/0 G1106-1212/0 H85-835/0 800-800'] +[2024-04-19 17:14:23,885][rfdiffusion.inference.model_runners][INFO] - Sequence init: --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------LNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPEYPGVLSDVQEEKGIKYKFEVYEKNRTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAAMHPPHGELQYLGQIQHILRCGVRKDDRTGTGTLSVFGMQARYSLRDEFPLLTTKRVFWKGVLEELLWFIKGSTNAKELSSKGVKIWDANGSRDFLDSLGFSTREEGDLGPVYGFQWRHFGAEYRDMESDYSGQGVDQLQRVIDTIKTNPDDRRIIMCAWNPRDLPLMALPPCHALCQFYVVNSELSCQLYQRSGDMGLGVPFNIASYALLTYMIAHITGLKPGDFIHTLGDAHIYLNHIEPLKIQLQREPRPFPKLRILRKVEKIDDFKAEDFQIEGYNPHPTIKMEMAVRTELLNVCMNAKHHKEKPGPEDKLHEQCRPWRKNACCSTNTSQEAHKDVSYLYRFNWNHCGEMAPACKRHFIQDTCLYECSPNLGPWIQQVDQSWRKERVLNVPLCKEDCEQWWEDCRTSYTCKSNWHKGWNWTSGFNKCAVGAACQPFHFYFPTPTVLCNEIWTHSYKVSNYSRGSGRCIQMWFDPAQGNPNEEVARFYAAAMVLCRGPVEPLVFLANFALVLQGPLTTQYLWHRFSADLGYNGTRQRGGCSNRSADPTMQEVETLTSHWTLYMNVGGFLVGLFSSTLLGAWSDSVGRRPLLVLASLGLLLQALVSVFVVQLQLHVGYFVLGRILCALLGDFGGLLAASFASVADVSSSRSRTFRMALLEASIGVAGMLASLLGGHWLRAQGYANPFWLALALLIAMTLYAAFCFGETLKEPKSTRLFTFRHHRSIVQLYVAPAPEKSRKHLALYSLAIFVVITVHFGAQDILTLYELSTPLCWDSKLIGYGSAAQHLPYLTSLLALKLLQYCLADAWVAEIGLAFNILGMVVFAFATITPLMFTGYGLLFLSLVITPVIRAKLSKLVRETEQGALFSAVACVNSLAMLTASGIFNSLYPATLNFMKGFPFLLGAGLLLIPAVLIGMLEKADPHLEFQQFPQSPHLVCYLCFYGFMAQIRPGESFITPYLLGPDKNFTREQVTNEITPVLSYSYLAVLVPVFLLTDYLRYTPVLLLQGLSFVSVWLLLLLGHSVAHMQLMELFYSVTMAARIAYSSYIFSLVRPARYQRVAGYSRAAVLLGVFTSSVLGQLLVTVGRVSFSTLNYISLAFLTFSVVLALFLKRPKRSLFFNRDDRGRCETSASELERMNPGPGGKLGHALRVACGDSVLARMLRELGDSLRRPQLRLWSLWWVFNSAGYYLVVYYVHILWNEVDPTTNSARVYNGAADAASTLLGAITSFAAGFVKIRWARWSKLLIAGVTATQAGLVFLLAHTRHPSSIWLCYAAFVLFRGSYQFLVPIATFQIASSLSKELCALVFGVNTFFATIVKTIITFIVSDVRGLGLPVRKQFQLYSVYFLILSIIYFLGAMLDGGPTPLPWCPHLVAVCPIPAAGLDVTQPCGDCGTIQENWVCLSCYQVYCGRYINGHMLQHHGNSGHPLVLSYIDLSAWCYYCQAYVHHQALLDVKNIAHQNKFGEDMPGTGLVLDEQLNEFHCLWDDSFPEGPERLHAIKEQLIQEGLLDRCVSFQARFAEKEELMLVHSLEYIDLMETTQYMNEGELRVLADTYDSVYLHPNSYSCACLASGSVLRLVDAVLGAEIRNGMAIIRPPGHHAQHSLMDGYCMFNHVAVAARYAQQKHRIRRVLIVDWDVHHGQGTQFTFDQDPSVLYFSIHRYEQGRFWPHLKASNWSTTGFGQGQGYTINVPWNQVGMRDADYIAAFLHVLLPVALEFQPQLVLVAAGFDALQGDPKGEMAATPAGFAQLTHLLMGLAGGKLILSLEGGYNLRALAEGVSASLHTLLGDPCPMLESPGAPCRSAQASVSCALEALEPFWEVLVRSTETVERDNMEEDNVEESEEEGPWEPPVLPILTWPVLQSRTGLVYDQNMMNHCNLWDSHHPEVPQRILRIMCRLEELGLAGRCLTLTPRPATEAELLTCHSAEYVGHLRATEKMKTRELHRESSNFDSIYICPSTFACAQLATGAACRLVEAVLSGEVLNGAAVVRPPGHHAEQDAACGFCFFNSVAVAARHAQTISGHALRILIVDWDVHHGNGTQHMFEDDPSVLYVSLHRYDHGTFFPMGDEGASSQIGRAAGTGFTVNVAWNGPRMGDADYLAAWHRLVLPIAYEFNPELVLVSAGFDAARGDPLGGCQVSPEGYAHLTHLLMGLASGRIILILEGGYNLTSISESMAACTRSLLGDPPPLLTLPRPPLSGALASITETIQVHRRYWRSLR diff --git a/RFdiffusion/outputs/2024-04-19/18-02-20/.hydra/config.yaml b/RFdiffusion/outputs/2024-04-19/18-02-20/.hydra/config.yaml new file mode 100644 index 0000000000000000000000000000000000000000..a369fb4bdf3cba244e60cc30cc7a74b2b0e63cf3 --- /dev/null +++ b/RFdiffusion/outputs/2024-04-19/18-02-20/.hydra/config.yaml @@ -0,0 +1,173 @@ +inference: + input_pdb: C:\Users\adminisiterlator\Desktop\fordesignpdb\combine.pdb + num_designs: 1 + design_startnum: 0 + ckpt_override_path: models/Complex_beta_ckpt.pt + symmetry: null + recenter: true + radius: 10.0 + model_only_neighbors: false + output_prefix: testoutputs/binder_test + write_trajectory: true + scaffold_guided: false + model_runner: SelfConditioning + cautious: true + align_motif: true + symmetric_self_cond: true + final_step: 1 + deterministic: false + trb_save_ckpt_path: null + schedule_directory_path: null + model_directory_path: null +contigmap: + contigs: + - A4-185/0 B24-228/0 C26-313/0 D30-233/0 E19-459/0 F27-454/0 G1106-1212/0 H85-835/0 + 600-600 + inpaint_seq: null + provide_seq: null + length: null +model: + n_extra_block: 4 + n_main_block: 32 + n_ref_block: 4 + d_msa: 256 + d_msa_full: 64 + d_pair: 128 + d_templ: 64 + n_head_msa: 8 + n_head_pair: 4 + n_head_templ: 4 + d_hidden: 32 + d_hidden_templ: 32 + p_drop: 0.15 + SE3_param_full: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 8 + l0_out_features: 8 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 32 + SE3_param_topk: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 64 + l0_out_features: 64 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 64 + freeze_track_motif: false + use_motif_timestep: false +diffuser: + T: 50 + b_0: 0.01 + b_T: 0.07 + schedule_type: linear + so3_type: igso3 + crd_scale: 0.25 + partial_T: null + so3_schedule_type: linear + min_b: 1.5 + max_b: 2.5 + min_sigma: 0.02 + max_sigma: 1.5 +denoiser: + noise_scale_ca: 1 + final_noise_scale_ca: 1 + ca_noise_schedule_type: constant + noise_scale_frame: 1 + final_noise_scale_frame: 1 + frame_noise_schedule_type: constant +ppi: + hotspot_res: + - A16 + - A20 + - A21 + - A22 + - A55 + - A56 + - A115 + - A121 + - A145 + - B97 + - B98 + - B116 + - B118 + - B119 + - B151 + - B153 + - B154 + - B156 + - B190 + - C78 + - C80 + - C218 + - C260 + - C312 + - D81 + - D102 + - D135 + - D136 + - D140 + - D174 + - D175 + - E156 + - E285 + - E286 + - E311 + - E400 + - F137 + - F281 + - F313 + - F314 + - G1141 + - G1155 + - G1175 + - G1178 + - H564 + - H566 + - H568 +potentials: + guiding_potentials: null + guide_scale: 10 + guide_decay: constant + olig_inter_all: null + olig_intra_all: null + olig_custom_contact: null + substrate: null +contig_settings: + ref_idx: null + hal_idx: null + idx_rf: null + inpaint_seq_tensor: null +preprocess: + sidechain_input: false + motif_sidechain_input: true + d_t1d: 22 + d_t2d: 44 + prob_self_cond: 0.0 + str_self_cond: false + predict_previous: false +logging: + inputs: false +scaffoldguided: + scaffoldguided: false + target_pdb: false + target_path: null + scaffold_list: null + scaffold_dir: null + sampled_insertion: 0 + sampled_N: 0 + sampled_C: 0 + ss_mask: 0 + systematic: false + target_ss: null + target_adj: null + mask_loops: true + contig_crop: null diff --git a/RFdiffusion/outputs/2024-04-19/18-02-20/.hydra/hydra.yaml b/RFdiffusion/outputs/2024-04-19/18-02-20/.hydra/hydra.yaml new file mode 100644 index 0000000000000000000000000000000000000000..035bc86cead70376b6bd8774614c5dea8a575a70 --- /dev/null +++ b/RFdiffusion/outputs/2024-04-19/18-02-20/.hydra/hydra.yaml @@ -0,0 +1,163 @@ +hydra: + run: + dir: outputs/${now:%Y-%m-%d}/${now:%H-%M-%S} + sweep: + dir: multirun/${now:%Y-%m-%d}/${now:%H-%M-%S} + subdir: ${hydra.job.num} + launcher: + _target_: hydra._internal.core_plugins.basic_launcher.BasicLauncher + sweeper: + _target_: hydra._internal.core_plugins.basic_sweeper.BasicSweeper + max_batch_size: null + params: null + help: + app_name: ${hydra.job.name} + header: '${hydra.help.app_name} is powered by Hydra. + + ' + footer: 'Powered by Hydra (https://hydra.cc) + + Use --hydra-help to view Hydra specific help + + ' + template: '${hydra.help.header} + + == Configuration groups == + + Compose your configuration from those groups (group=option) + + + $APP_CONFIG_GROUPS + + + == Config == + + Override anything in the config (foo.bar=value) + + + $CONFIG + + + ${hydra.help.footer} + + ' + hydra_help: + template: 'Hydra (${hydra.runtime.version}) + + See https://hydra.cc for more info. + + + == Flags == + + $FLAGS_HELP + + + == Configuration groups == + + Compose your configuration from those groups (For example, append hydra/job_logging=disabled + to command line) + + + $HYDRA_CONFIG_GROUPS + + + Use ''--cfg hydra'' to Show the Hydra config. + + ' + hydra_help: ??? + hydra_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][HYDRA] %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + root: + level: INFO + handlers: + - console + loggers: + logging_example: + level: DEBUG + disable_existing_loggers: false + job_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][%(name)s][%(levelname)s] - %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + file: + class: logging.FileHandler + formatter: simple + filename: ${hydra.runtime.output_dir}/${hydra.job.name}.log + root: + level: INFO + handlers: + - console + - file + disable_existing_loggers: false + env: {} + mode: RUN + searchpath: [] + callbacks: {} + output_subdir: .hydra + overrides: + hydra: + - hydra.mode=RUN + task: + - inference.output_prefix=./ + - inference.input_pdb=C:\Users\adminisiterlator\Desktop\fordesignpdb\combine.pdb + - contigmap.contigs=[A4-185/0 B24-228/0 C26-313/0 D30-233/0 E19-459/0 F27-454/0 + G1106-1212/0 H85-835/0 600-600] + - ppi.hotspot_res=[A16,A20,A21,A22,A55,A56,A115,A121,A145,B97,B98,B116,B118,B119,B151,B153,B154,B156,B190,C78,C80,C218,C260,C312,D81,D102,D135,D136,D140,D174,D175,E156,E285,E286,E311,E400,F137,F281,F313,F314,G1141,G1155,G1175,G1178,H564,H566,H568] + - inference.output_prefix=testoutputs/binder_test + - inference.num_designs=1 + - inference.ckpt_override_path=models/Complex_beta_ckpt.pt + job: + name: run_inference + chdir: null + override_dirname: contigmap.contigs=[A4-185/0 B24-228/0 C26-313/0 D30-233/0 E19-459/0 + F27-454/0 G1106-1212/0 H85-835/0 600-600],inference.ckpt_override_path=models/Complex_beta_ckpt.pt,inference.input_pdb=C:\Users\adminisiterlator\Desktop\fordesignpdb\combine.pdb,inference.num_designs=1,inference.output_prefix=./,inference.output_prefix=testoutputs/binder_test,ppi.hotspot_res=[A16,A20,A21,A22,A55,A56,A115,A121,A145,B97,B98,B116,B118,B119,B151,B153,B154,B156,B190,C78,C80,C218,C260,C312,D81,D102,D135,D136,D140,D174,D175,E156,E285,E286,E311,E400,F137,F281,F313,F314,G1141,G1155,G1175,G1178,H564,H566,H568] + id: ??? + num: ??? + config_name: base + env_set: {} + env_copy: [] + config: + override_dirname: + kv_sep: '=' + item_sep: ',' + exclude_keys: [] + runtime: + version: 1.3.2 + version_base: '1.3' + cwd: C:\Users\adminisiterlator\RFdiffusion + config_sources: + - path: hydra.conf + schema: pkg + provider: hydra + - path: C:\Users\adminisiterlator\RFdiffusion\config\inference + schema: file + provider: main + - path: '' + schema: structured + provider: schema + output_dir: C:\Users\adminisiterlator\RFdiffusion\outputs\2024-04-19\18-02-20 + choices: + hydra/env: default + hydra/callbacks: null + hydra/job_logging: default + hydra/hydra_logging: default + hydra/hydra_help: default + hydra/help: default + hydra/sweeper: basic + hydra/launcher: basic + hydra/output: default + verbose: false diff --git a/RFdiffusion/outputs/2024-04-19/18-02-20/.hydra/overrides.yaml b/RFdiffusion/outputs/2024-04-19/18-02-20/.hydra/overrides.yaml new file mode 100644 index 0000000000000000000000000000000000000000..c34687bc0215a626d59df32696c77897cf4539c9 --- /dev/null +++ b/RFdiffusion/outputs/2024-04-19/18-02-20/.hydra/overrides.yaml @@ -0,0 +1,8 @@ +- inference.output_prefix=./ +- inference.input_pdb=C:\Users\adminisiterlator\Desktop\fordesignpdb\combine.pdb +- contigmap.contigs=[A4-185/0 B24-228/0 C26-313/0 D30-233/0 E19-459/0 F27-454/0 G1106-1212/0 + H85-835/0 600-600] +- ppi.hotspot_res=[A16,A20,A21,A22,A55,A56,A115,A121,A145,B97,B98,B116,B118,B119,B151,B153,B154,B156,B190,C78,C80,C218,C260,C312,D81,D102,D135,D136,D140,D174,D175,E156,E285,E286,E311,E400,F137,F281,F313,F314,G1141,G1155,G1175,G1178,H564,H566,H568] +- inference.output_prefix=testoutputs/binder_test +- inference.num_designs=1 +- inference.ckpt_override_path=models/Complex_beta_ckpt.pt diff --git a/RFdiffusion/outputs/2024-04-19/18-02-20/run_inference.log b/RFdiffusion/outputs/2024-04-19/18-02-20/run_inference.log new file mode 100644 index 0000000000000000000000000000000000000000..49143455a2527b64bfd0e216f30aac75c5beba43 --- /dev/null +++ b/RFdiffusion/outputs/2024-04-19/18-02-20/run_inference.log @@ -0,0 +1,7 @@ +[2024-04-19 18:02:21,063][__main__][INFO] - Found GPU with device_name NVIDIA GeForce RTX 2060. Will run RFdiffusion on NVIDIA GeForce RTX 2060 +[2024-04-19 18:02:21,065][rfdiffusion.inference.model_runners][INFO] - Reading checkpoint from models/Complex_beta_ckpt.pt +[2024-04-19 18:02:25,119][rfdiffusion.inference.model_runners][INFO] - Loading checkpoint. +[2024-04-19 18:02:30,434][rfdiffusion.diffusion][INFO] - Using cached IGSO3. +[2024-04-19 18:02:31,876][__main__][INFO] - Making design testoutputs/binder_test_0 +[2024-04-19 18:02:33,411][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A4-185/0 B24-228/0 C26-313/0 D30-233/0 E19-459/0 F27-454/0 G1106-1212/0 H85-835/0 600-600'] +[2024-04-19 18:02:34,127][rfdiffusion.inference.model_runners][INFO] - Sequence init: ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------LNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPEYPGVLSDVQEEKGIKYKFEVYEKNRTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAAMHPPHGELQYLGQIQHILRCGVRKDDRTGTGTLSVFGMQARYSLRDEFPLLTTKRVFWKGVLEELLWFIKGSTNAKELSSKGVKIWDANGSRDFLDSLGFSTREEGDLGPVYGFQWRHFGAEYRDMESDYSGQGVDQLQRVIDTIKTNPDDRRIIMCAWNPRDLPLMALPPCHALCQFYVVNSELSCQLYQRSGDMGLGVPFNIASYALLTYMIAHITGLKPGDFIHTLGDAHIYLNHIEPLKIQLQREPRPFPKLRILRKVEKIDDFKAEDFQIEGYNPHPTIKMEMAVRTELLNVCMNAKHHKEKPGPEDKLHEQCRPWRKNACCSTNTSQEAHKDVSYLYRFNWNHCGEMAPACKRHFIQDTCLYECSPNLGPWIQQVDQSWRKERVLNVPLCKEDCEQWWEDCRTSYTCKSNWHKGWNWTSGFNKCAVGAACQPFHFYFPTPTVLCNEIWTHSYKVSNYSRGSGRCIQMWFDPAQGNPNEEVARFYAAAMVLCRGPVEPLVFLANFALVLQGPLTTQYLWHRFSADLGYNGTRQRGGCSNRSADPTMQEVETLTSHWTLYMNVGGFLVGLFSSTLLGAWSDSVGRRPLLVLASLGLLLQALVSVFVVQLQLHVGYFVLGRILCALLGDFGGLLAASFASVADVSSSRSRTFRMALLEASIGVAGMLASLLGGHWLRAQGYANPFWLALALLIAMTLYAAFCFGETLKEPKSTRLFTFRHHRSIVQLYVAPAPEKSRKHLALYSLAIFVVITVHFGAQDILTLYELSTPLCWDSKLIGYGSAAQHLPYLTSLLALKLLQYCLADAWVAEIGLAFNILGMVVFAFATITPLMFTGYGLLFLSLVITPVIRAKLSKLVRETEQGALFSAVACVNSLAMLTASGIFNSLYPATLNFMKGFPFLLGAGLLLIPAVLIGMLEKADPHLEFQQFPQSPHLVCYLCFYGFMAQIRPGESFITPYLLGPDKNFTREQVTNEITPVLSYSYLAVLVPVFLLTDYLRYTPVLLLQGLSFVSVWLLLLLGHSVAHMQLMELFYSVTMAARIAYSSYIFSLVRPARYQRVAGYSRAAVLLGVFTSSVLGQLLVTVGRVSFSTLNYISLAFLTFSVVLALFLKRPKRSLFFNRDDRGRCETSASELERMNPGPGGKLGHALRVACGDSVLARMLRELGDSLRRPQLRLWSLWWVFNSAGYYLVVYYVHILWNEVDPTTNSARVYNGAADAASTLLGAITSFAAGFVKIRWARWSKLLIAGVTATQAGLVFLLAHTRHPSSIWLCYAAFVLFRGSYQFLVPIATFQIASSLSKELCALVFGVNTFFATIVKTIITFIVSDVRGLGLPVRKQFQLYSVYFLILSIIYFLGAMLDGGPTPLPWCPHLVAVCPIPAAGLDVTQPCGDCGTIQENWVCLSCYQVYCGRYINGHMLQHHGNSGHPLVLSYIDLSAWCYYCQAYVHHQALLDVKNIAHQNKFGEDMPGTGLVLDEQLNEFHCLWDDSFPEGPERLHAIKEQLIQEGLLDRCVSFQARFAEKEELMLVHSLEYIDLMETTQYMNEGELRVLADTYDSVYLHPNSYSCACLASGSVLRLVDAVLGAEIRNGMAIIRPPGHHAQHSLMDGYCMFNHVAVAARYAQQKHRIRRVLIVDWDVHHGQGTQFTFDQDPSVLYFSIHRYEQGRFWPHLKASNWSTTGFGQGQGYTINVPWNQVGMRDADYIAAFLHVLLPVALEFQPQLVLVAAGFDALQGDPKGEMAATPAGFAQLTHLLMGLAGGKLILSLEGGYNLRALAEGVSASLHTLLGDPCPMLESPGAPCRSAQASVSCALEALEPFWEVLVRSTETVERDNMEEDNVEESEEEGPWEPPVLPILTWPVLQSRTGLVYDQNMMNHCNLWDSHHPEVPQRILRIMCRLEELGLAGRCLTLTPRPATEAELLTCHSAEYVGHLRATEKMKTRELHRESSNFDSIYICPSTFACAQLATGAACRLVEAVLSGEVLNGAAVVRPPGHHAEQDAACGFCFFNSVAVAARHAQTISGHALRILIVDWDVHHGNGTQHMFEDDPSVLYVSLHRYDHGTFFPMGDEGASSQIGRAAGTGFTVNVAWNGPRMGDADYLAAWHRLVLPIAYEFNPELVLVSAGFDAARGDPLGGCQVSPEGYAHLTHLLMGLASGRIILILEGGYNLTSISESMAACTRSLLGDPPPLLTLPRPPLSGALASITETIQVHRRYWRSLR diff --git a/RFdiffusion/outputs/2024-04-19/19-15-10/.hydra/config.yaml b/RFdiffusion/outputs/2024-04-19/19-15-10/.hydra/config.yaml new file mode 100644 index 0000000000000000000000000000000000000000..a369fb4bdf3cba244e60cc30cc7a74b2b0e63cf3 --- /dev/null +++ b/RFdiffusion/outputs/2024-04-19/19-15-10/.hydra/config.yaml @@ -0,0 +1,173 @@ +inference: + input_pdb: C:\Users\adminisiterlator\Desktop\fordesignpdb\combine.pdb + num_designs: 1 + design_startnum: 0 + ckpt_override_path: models/Complex_beta_ckpt.pt + symmetry: null + recenter: true + radius: 10.0 + model_only_neighbors: false + output_prefix: testoutputs/binder_test + write_trajectory: true + scaffold_guided: false + model_runner: SelfConditioning + cautious: true + align_motif: true + symmetric_self_cond: true + final_step: 1 + deterministic: false + trb_save_ckpt_path: null + schedule_directory_path: null + model_directory_path: null +contigmap: + contigs: + - A4-185/0 B24-228/0 C26-313/0 D30-233/0 E19-459/0 F27-454/0 G1106-1212/0 H85-835/0 + 600-600 + inpaint_seq: null + provide_seq: null + length: null +model: + n_extra_block: 4 + n_main_block: 32 + n_ref_block: 4 + d_msa: 256 + d_msa_full: 64 + d_pair: 128 + d_templ: 64 + n_head_msa: 8 + n_head_pair: 4 + n_head_templ: 4 + d_hidden: 32 + d_hidden_templ: 32 + p_drop: 0.15 + SE3_param_full: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 8 + l0_out_features: 8 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 32 + SE3_param_topk: + num_layers: 1 + num_channels: 32 + num_degrees: 2 + n_heads: 4 + div: 4 + l0_in_features: 64 + l0_out_features: 64 + l1_in_features: 3 + l1_out_features: 2 + num_edge_features: 64 + freeze_track_motif: false + use_motif_timestep: false +diffuser: + T: 50 + b_0: 0.01 + b_T: 0.07 + schedule_type: linear + so3_type: igso3 + crd_scale: 0.25 + partial_T: null + so3_schedule_type: linear + min_b: 1.5 + max_b: 2.5 + min_sigma: 0.02 + max_sigma: 1.5 +denoiser: + noise_scale_ca: 1 + final_noise_scale_ca: 1 + ca_noise_schedule_type: constant + noise_scale_frame: 1 + final_noise_scale_frame: 1 + frame_noise_schedule_type: constant +ppi: + hotspot_res: + - A16 + - A20 + - A21 + - A22 + - A55 + - A56 + - A115 + - A121 + - A145 + - B97 + - B98 + - B116 + - B118 + - B119 + - B151 + - B153 + - B154 + - B156 + - B190 + - C78 + - C80 + - C218 + - C260 + - C312 + - D81 + - D102 + - D135 + - D136 + - D140 + - D174 + - D175 + - E156 + - E285 + - E286 + - E311 + - E400 + - F137 + - F281 + - F313 + - F314 + - G1141 + - G1155 + - G1175 + - G1178 + - H564 + - H566 + - H568 +potentials: + guiding_potentials: null + guide_scale: 10 + guide_decay: constant + olig_inter_all: null + olig_intra_all: null + olig_custom_contact: null + substrate: null +contig_settings: + ref_idx: null + hal_idx: null + idx_rf: null + inpaint_seq_tensor: null +preprocess: + sidechain_input: false + motif_sidechain_input: true + d_t1d: 22 + d_t2d: 44 + prob_self_cond: 0.0 + str_self_cond: false + predict_previous: false +logging: + inputs: false +scaffoldguided: + scaffoldguided: false + target_pdb: false + target_path: null + scaffold_list: null + scaffold_dir: null + sampled_insertion: 0 + sampled_N: 0 + sampled_C: 0 + ss_mask: 0 + systematic: false + target_ss: null + target_adj: null + mask_loops: true + contig_crop: null diff --git a/RFdiffusion/outputs/2024-04-19/19-15-10/.hydra/hydra.yaml b/RFdiffusion/outputs/2024-04-19/19-15-10/.hydra/hydra.yaml new file mode 100644 index 0000000000000000000000000000000000000000..5225029d749860f4b850348c06bc8ebd29882741 --- /dev/null +++ b/RFdiffusion/outputs/2024-04-19/19-15-10/.hydra/hydra.yaml @@ -0,0 +1,163 @@ +hydra: + run: + dir: outputs/${now:%Y-%m-%d}/${now:%H-%M-%S} + sweep: + dir: multirun/${now:%Y-%m-%d}/${now:%H-%M-%S} + subdir: ${hydra.job.num} + launcher: + _target_: hydra._internal.core_plugins.basic_launcher.BasicLauncher + sweeper: + _target_: hydra._internal.core_plugins.basic_sweeper.BasicSweeper + max_batch_size: null + params: null + help: + app_name: ${hydra.job.name} + header: '${hydra.help.app_name} is powered by Hydra. + + ' + footer: 'Powered by Hydra (https://hydra.cc) + + Use --hydra-help to view Hydra specific help + + ' + template: '${hydra.help.header} + + == Configuration groups == + + Compose your configuration from those groups (group=option) + + + $APP_CONFIG_GROUPS + + + == Config == + + Override anything in the config (foo.bar=value) + + + $CONFIG + + + ${hydra.help.footer} + + ' + hydra_help: + template: 'Hydra (${hydra.runtime.version}) + + See https://hydra.cc for more info. + + + == Flags == + + $FLAGS_HELP + + + == Configuration groups == + + Compose your configuration from those groups (For example, append hydra/job_logging=disabled + to command line) + + + $HYDRA_CONFIG_GROUPS + + + Use ''--cfg hydra'' to Show the Hydra config. + + ' + hydra_help: ??? + hydra_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][HYDRA] %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + root: + level: INFO + handlers: + - console + loggers: + logging_example: + level: DEBUG + disable_existing_loggers: false + job_logging: + version: 1 + formatters: + simple: + format: '[%(asctime)s][%(name)s][%(levelname)s] - %(message)s' + handlers: + console: + class: logging.StreamHandler + formatter: simple + stream: ext://sys.stdout + file: + class: logging.FileHandler + formatter: simple + filename: ${hydra.runtime.output_dir}/${hydra.job.name}.log + root: + level: INFO + handlers: + - console + - file + disable_existing_loggers: false + env: {} + mode: RUN + searchpath: [] + callbacks: {} + output_subdir: .hydra + overrides: + hydra: + - hydra.mode=RUN + task: + - inference.output_prefix=./ + - inference.input_pdb=C:\Users\adminisiterlator\Desktop\fordesignpdb\combine.pdb + - contigmap.contigs=[A4-185/0 B24-228/0 C26-313/0 D30-233/0 E19-459/0 F27-454/0 + G1106-1212/0 H85-835/0 600-600] + - ppi.hotspot_res=[A16,A20,A21,A22,A55,A56,A115,A121,A145,B97,B98,B116,B118,B119,B151,B153,B154,B156,B190,C78,C80,C218,C260,C312,D81,D102,D135,D136,D140,D174,D175,E156,E285,E286,E311,E400,F137,F281,F313,F314,G1141,G1155,G1175,G1178,H564,H566,H568] + - inference.output_prefix=testoutputs/binder_test + - inference.num_designs=1 + - inference.ckpt_override_path=models/Complex_beta_ckpt.pt + job: + name: run_inference + chdir: null + override_dirname: contigmap.contigs=[A4-185/0 B24-228/0 C26-313/0 D30-233/0 E19-459/0 + F27-454/0 G1106-1212/0 H85-835/0 600-600],inference.ckpt_override_path=models/Complex_beta_ckpt.pt,inference.input_pdb=C:\Users\adminisiterlator\Desktop\fordesignpdb\combine.pdb,inference.num_designs=1,inference.output_prefix=./,inference.output_prefix=testoutputs/binder_test,ppi.hotspot_res=[A16,A20,A21,A22,A55,A56,A115,A121,A145,B97,B98,B116,B118,B119,B151,B153,B154,B156,B190,C78,C80,C218,C260,C312,D81,D102,D135,D136,D140,D174,D175,E156,E285,E286,E311,E400,F137,F281,F313,F314,G1141,G1155,G1175,G1178,H564,H566,H568] + id: ??? + num: ??? + config_name: base + env_set: {} + env_copy: [] + config: + override_dirname: + kv_sep: '=' + item_sep: ',' + exclude_keys: [] + runtime: + version: 1.3.2 + version_base: '1.3' + cwd: C:\Users\adminisiterlator\RFdiffusion + config_sources: + - path: hydra.conf + schema: pkg + provider: hydra + - path: C:\Users\adminisiterlator\RFdiffusion\config\inference + schema: file + provider: main + - path: '' + schema: structured + provider: schema + output_dir: C:\Users\adminisiterlator\RFdiffusion\outputs\2024-04-19\19-15-10 + choices: + hydra/env: default + hydra/callbacks: null + hydra/job_logging: default + hydra/hydra_logging: default + hydra/hydra_help: default + hydra/help: default + hydra/sweeper: basic + hydra/launcher: basic + hydra/output: default + verbose: false diff --git a/RFdiffusion/outputs/2024-04-19/19-15-10/.hydra/overrides.yaml b/RFdiffusion/outputs/2024-04-19/19-15-10/.hydra/overrides.yaml new file mode 100644 index 0000000000000000000000000000000000000000..c34687bc0215a626d59df32696c77897cf4539c9 --- /dev/null +++ b/RFdiffusion/outputs/2024-04-19/19-15-10/.hydra/overrides.yaml @@ -0,0 +1,8 @@ +- inference.output_prefix=./ +- inference.input_pdb=C:\Users\adminisiterlator\Desktop\fordesignpdb\combine.pdb +- contigmap.contigs=[A4-185/0 B24-228/0 C26-313/0 D30-233/0 E19-459/0 F27-454/0 G1106-1212/0 + H85-835/0 600-600] +- ppi.hotspot_res=[A16,A20,A21,A22,A55,A56,A115,A121,A145,B97,B98,B116,B118,B119,B151,B153,B154,B156,B190,C78,C80,C218,C260,C312,D81,D102,D135,D136,D140,D174,D175,E156,E285,E286,E311,E400,F137,F281,F313,F314,G1141,G1155,G1175,G1178,H564,H566,H568] +- inference.output_prefix=testoutputs/binder_test +- inference.num_designs=1 +- inference.ckpt_override_path=models/Complex_beta_ckpt.pt diff --git a/RFdiffusion/outputs/2024-04-19/19-15-10/run_inference.log b/RFdiffusion/outputs/2024-04-19/19-15-10/run_inference.log new file mode 100644 index 0000000000000000000000000000000000000000..d03cbdf41500c3e64140693ae7e8aedc6361f559 --- /dev/null +++ b/RFdiffusion/outputs/2024-04-19/19-15-10/run_inference.log @@ -0,0 +1,7 @@ +[2024-04-19 19:15:10,377][__main__][INFO] - Found GPU with device_name NVIDIA GeForce RTX 2060. Will run RFdiffusion on NVIDIA GeForce RTX 2060 +[2024-04-19 19:15:10,377][rfdiffusion.inference.model_runners][INFO] - Reading checkpoint from models/Complex_beta_ckpt.pt +[2024-04-19 19:15:14,727][rfdiffusion.inference.model_runners][INFO] - Loading checkpoint. +[2024-04-19 19:15:20,416][rfdiffusion.diffusion][INFO] - Using cached IGSO3. +[2024-04-19 19:15:22,000][__main__][INFO] - Making design testoutputs/binder_test_0 +[2024-04-19 19:15:23,586][rfdiffusion.inference.model_runners][INFO] - Using contig: ['A4-185/0 B24-228/0 C26-313/0 D30-233/0 E19-459/0 F27-454/0 G1106-1212/0 H85-835/0 600-600'] +[2024-04-19 19:15:24,297][rfdiffusion.inference.model_runners][INFO] - Sequence init: ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------LNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPEYPGVLSDVQEEKGIKYKFEVYEKNRTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAAMHPPHGELQYLGQIQHILRCGVRKDDRTGTGTLSVFGMQARYSLRDEFPLLTTKRVFWKGVLEELLWFIKGSTNAKELSSKGVKIWDANGSRDFLDSLGFSTREEGDLGPVYGFQWRHFGAEYRDMESDYSGQGVDQLQRVIDTIKTNPDDRRIIMCAWNPRDLPLMALPPCHALCQFYVVNSELSCQLYQRSGDMGLGVPFNIASYALLTYMIAHITGLKPGDFIHTLGDAHIYLNHIEPLKIQLQREPRPFPKLRILRKVEKIDDFKAEDFQIEGYNPHPTIKMEMAVRTELLNVCMNAKHHKEKPGPEDKLHEQCRPWRKNACCSTNTSQEAHKDVSYLYRFNWNHCGEMAPACKRHFIQDTCLYECSPNLGPWIQQVDQSWRKERVLNVPLCKEDCEQWWEDCRTSYTCKSNWHKGWNWTSGFNKCAVGAACQPFHFYFPTPTVLCNEIWTHSYKVSNYSRGSGRCIQMWFDPAQGNPNEEVARFYAAAMVLCRGPVEPLVFLANFALVLQGPLTTQYLWHRFSADLGYNGTRQRGGCSNRSADPTMQEVETLTSHWTLYMNVGGFLVGLFSSTLLGAWSDSVGRRPLLVLASLGLLLQALVSVFVVQLQLHVGYFVLGRILCALLGDFGGLLAASFASVADVSSSRSRTFRMALLEASIGVAGMLASLLGGHWLRAQGYANPFWLALALLIAMTLYAAFCFGETLKEPKSTRLFTFRHHRSIVQLYVAPAPEKSRKHLALYSLAIFVVITVHFGAQDILTLYELSTPLCWDSKLIGYGSAAQHLPYLTSLLALKLLQYCLADAWVAEIGLAFNILGMVVFAFATITPLMFTGYGLLFLSLVITPVIRAKLSKLVRETEQGALFSAVACVNSLAMLTASGIFNSLYPATLNFMKGFPFLLGAGLLLIPAVLIGMLEKADPHLEFQQFPQSPHLVCYLCFYGFMAQIRPGESFITPYLLGPDKNFTREQVTNEITPVLSYSYLAVLVPVFLLTDYLRYTPVLLLQGLSFVSVWLLLLLGHSVAHMQLMELFYSVTMAARIAYSSYIFSLVRPARYQRVAGYSRAAVLLGVFTSSVLGQLLVTVGRVSFSTLNYISLAFLTFSVVLALFLKRPKRSLFFNRDDRGRCETSASELERMNPGPGGKLGHALRVACGDSVLARMLRELGDSLRRPQLRLWSLWWVFNSAGYYLVVYYVHILWNEVDPTTNSARVYNGAADAASTLLGAITSFAAGFVKIRWARWSKLLIAGVTATQAGLVFLLAHTRHPSSIWLCYAAFVLFRGSYQFLVPIATFQIASSLSKELCALVFGVNTFFATIVKTIITFIVSDVRGLGLPVRKQFQLYSVYFLILSIIYFLGAMLDGGPTPLPWCPHLVAVCPIPAAGLDVTQPCGDCGTIQENWVCLSCYQVYCGRYINGHMLQHHGNSGHPLVLSYIDLSAWCYYCQAYVHHQALLDVKNIAHQNKFGEDMPGTGLVLDEQLNEFHCLWDDSFPEGPERLHAIKEQLIQEGLLDRCVSFQARFAEKEELMLVHSLEYIDLMETTQYMNEGELRVLADTYDSVYLHPNSYSCACLASGSVLRLVDAVLGAEIRNGMAIIRPPGHHAQHSLMDGYCMFNHVAVAARYAQQKHRIRRVLIVDWDVHHGQGTQFTFDQDPSVLYFSIHRYEQGRFWPHLKASNWSTTGFGQGQGYTINVPWNQVGMRDADYIAAFLHVLLPVALEFQPQLVLVAAGFDALQGDPKGEMAATPAGFAQLTHLLMGLAGGKLILSLEGGYNLRALAEGVSASLHTLLGDPCPMLESPGAPCRSAQASVSCALEALEPFWEVLVRSTETVERDNMEEDNVEESEEEGPWEPPVLPILTWPVLQSRTGLVYDQNMMNHCNLWDSHHPEVPQRILRIMCRLEELGLAGRCLTLTPRPATEAELLTCHSAEYVGHLRATEKMKTRELHRESSNFDSIYICPSTFACAQLATGAACRLVEAVLSGEVLNGAAVVRPPGHHAEQDAACGFCFFNSVAVAARHAQTISGHALRILIVDWDVHHGNGTQHMFEDDPSVLYVSLHRYDHGTFFPMGDEGASSQIGRAAGTGFTVNVAWNGPRMGDADYLAAWHRLVLPIAYEFNPELVLVSAGFDAARGDPLGGCQVSPEGYAHLTHLLMGLASGRIILILEGGYNLTSISESMAACTRSLLGDPPPLLTLPRPPLSGALASITETIQVHRRYWRSLR diff --git a/RFdiffusion/pyrosetta-2023.14+release.7132bdc754a-cp310-cp310-linux_x86_64.whl b/RFdiffusion/pyrosetta-2023.14+release.7132bdc754a-cp310-cp310-linux_x86_64.whl new file mode 100644 index 0000000000000000000000000000000000000000..fb9227ef2ca22127cc19a36bab801c75ff0922a2 --- /dev/null +++ b/RFdiffusion/pyrosetta-2023.14+release.7132bdc754a-cp310-cp310-linux_x86_64.whl @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9f4c30259aae0c53a6e19469a14de861bce5dcb9819c2f329543307264230424 +size 1643811383 diff --git a/RFdiffusion/rfdiffusion.egg-info/PKG-INFO b/RFdiffusion/rfdiffusion.egg-info/PKG-INFO new file mode 100644 index 0000000000000000000000000000000000000000..f19686041fc62ab5803b5ecc08226d6b49e1c527 --- /dev/null +++ b/RFdiffusion/rfdiffusion.egg-info/PKG-INFO @@ -0,0 +1,7 @@ +Metadata-Version: 2.1 +Name: rfdiffusion +Version: 1.1.0 +Summary: RFdiffusion is an open source method for protein structure generation. +Home-page: https://github.com/RosettaCommons/RFdiffusion +Author: Rosetta Commons +License-File: LICENSE diff --git a/RFdiffusion/rfdiffusion.egg-info/SOURCES.txt b/RFdiffusion/rfdiffusion.egg-info/SOURCES.txt new file mode 100644 index 0000000000000000000000000000000000000000..96d49e02fc55433caefef8fb0180ae3c37b1065f --- /dev/null +++ b/RFdiffusion/rfdiffusion.egg-info/SOURCES.txt @@ -0,0 +1,34 @@ +LICENSE +README.md +setup.py +rfdiffusion/Attention_module.py +rfdiffusion/AuxiliaryPredictor.py +rfdiffusion/Embeddings.py +rfdiffusion/RoseTTAFoldModel.py +rfdiffusion/SE3_network.py +rfdiffusion/Track_module.py +rfdiffusion/__init__.py +rfdiffusion/chemical.py +rfdiffusion/contigs.py +rfdiffusion/coords6d.py +rfdiffusion/diffusion.py +rfdiffusion/igso3.py +rfdiffusion/kinematics.py +rfdiffusion/model_input_logger.py +rfdiffusion/scoring.py +rfdiffusion/util.py +rfdiffusion/util_module.py +rfdiffusion.egg-info/PKG-INFO +rfdiffusion.egg-info/SOURCES.txt +rfdiffusion.egg-info/dependency_links.txt +rfdiffusion.egg-info/requires.txt +rfdiffusion.egg-info/top_level.txt +rfdiffusion/inference/__init__.py +rfdiffusion/inference/model_runners.py +rfdiffusion/inference/symmetry.py +rfdiffusion/inference/utils.py +rfdiffusion/potentials/__init__.py +rfdiffusion/potentials/manager.py +rfdiffusion/potentials/potentials.py +scripts/run_inference.py +tests/test_diffusion.py \ No newline at end of file diff --git a/RFdiffusion/rfdiffusion.egg-info/dependency_links.txt b/RFdiffusion/rfdiffusion.egg-info/dependency_links.txt new file mode 100644 index 0000000000000000000000000000000000000000..8b137891791fe96927ad78e64b0aad7bded08bdc --- /dev/null +++ b/RFdiffusion/rfdiffusion.egg-info/dependency_links.txt @@ -0,0 +1 @@ + diff --git a/RFdiffusion/rfdiffusion.egg-info/requires.txt b/RFdiffusion/rfdiffusion.egg-info/requires.txt new file mode 100644 index 0000000000000000000000000000000000000000..2f903b33fa84cf703dd285176dd3ca5da79ade11 --- /dev/null +++ b/RFdiffusion/rfdiffusion.egg-info/requires.txt @@ -0,0 +1,2 @@ +torch +se3-transformer diff --git a/RFdiffusion/rfdiffusion.egg-info/top_level.txt b/RFdiffusion/rfdiffusion.egg-info/top_level.txt new file mode 100644 index 0000000000000000000000000000000000000000..185ab8e8a379d672865331e6b692b2f0dc8e6aad --- /dev/null +++ b/RFdiffusion/rfdiffusion.egg-info/top_level.txt @@ -0,0 +1 @@ +rfdiffusion diff --git a/RFdiffusion/rfdiffusion/Attention_module.py b/RFdiffusion/rfdiffusion/Attention_module.py new file mode 100644 index 0000000000000000000000000000000000000000..f8868fc27d9cbe0afb134d6d3a0c5b9cba0b1de2 --- /dev/null +++ b/RFdiffusion/rfdiffusion/Attention_module.py @@ -0,0 +1,404 @@ +import torch +import torch.nn as nn +import torch.nn.functional as F +import math +from opt_einsum import contract as einsum +from rfdiffusion.util_module import init_lecun_normal + +class FeedForwardLayer(nn.Module): + def __init__(self, d_model, r_ff, p_drop=0.1): + super(FeedForwardLayer, self).__init__() + self.norm = nn.LayerNorm(d_model) + self.linear1 = nn.Linear(d_model, d_model*r_ff) + self.dropout = nn.Dropout(p_drop) + self.linear2 = nn.Linear(d_model*r_ff, d_model) + + self.reset_parameter() + + def reset_parameter(self): + # initialize linear layer right before ReLu: He initializer (kaiming normal) + nn.init.kaiming_normal_(self.linear1.weight, nonlinearity='relu') + nn.init.zeros_(self.linear1.bias) + + # initialize linear layer right before residual connection: zero initialize + nn.init.zeros_(self.linear2.weight) + nn.init.zeros_(self.linear2.bias) + + def forward(self, src): + src = self.norm(src) + src = self.linear2(self.dropout(F.relu_(self.linear1(src)))) + return src + +class Attention(nn.Module): + # calculate multi-head attention + def __init__(self, d_query, d_key, n_head, d_hidden, d_out): + super(Attention, self).__init__() + self.h = n_head + self.dim = d_hidden + # + self.to_q = nn.Linear(d_query, n_head*d_hidden, bias=False) + self.to_k = nn.Linear(d_key, n_head*d_hidden, bias=False) + self.to_v = nn.Linear(d_key, n_head*d_hidden, bias=False) + # + self.to_out = nn.Linear(n_head*d_hidden, d_out) + self.scaling = 1/math.sqrt(d_hidden) + # + # initialize all parameters properly + self.reset_parameter() + + def reset_parameter(self): + # query/key/value projection: Glorot uniform / Xavier uniform + nn.init.xavier_uniform_(self.to_q.weight) + nn.init.xavier_uniform_(self.to_k.weight) + nn.init.xavier_uniform_(self.to_v.weight) + + # to_out: right before residual connection: zero initialize -- to make it sure residual operation is same to the Identity at the begining + nn.init.zeros_(self.to_out.weight) + nn.init.zeros_(self.to_out.bias) + + def forward(self, query, key, value): + B, Q = query.shape[:2] + B, K = key.shape[:2] + # + query = self.to_q(query).reshape(B, Q, self.h, self.dim) + key = self.to_k(key).reshape(B, K, self.h, self.dim) + value = self.to_v(value).reshape(B, K, self.h, self.dim) + # + query = query * self.scaling + attn = einsum('bqhd,bkhd->bhqk', query, key) + attn = F.softmax(attn, dim=-1) + # + out = einsum('bhqk,bkhd->bqhd', attn, value) + out = out.reshape(B, Q, self.h*self.dim) + # + out = self.to_out(out) + + return out + +class AttentionWithBias(nn.Module): + def __init__(self, d_in=256, d_bias=128, n_head=8, d_hidden=32): + super(AttentionWithBias, self).__init__() + self.norm_in = nn.LayerNorm(d_in) + self.norm_bias = nn.LayerNorm(d_bias) + # + self.to_q = nn.Linear(d_in, n_head*d_hidden, bias=False) + self.to_k = nn.Linear(d_in, n_head*d_hidden, bias=False) + self.to_v = nn.Linear(d_in, n_head*d_hidden, bias=False) + self.to_b = nn.Linear(d_bias, n_head, bias=False) + self.to_g = nn.Linear(d_in, n_head*d_hidden) + self.to_out = nn.Linear(n_head*d_hidden, d_in) + + self.scaling = 1/math.sqrt(d_hidden) + self.h = n_head + self.dim = d_hidden + + self.reset_parameter() + + def reset_parameter(self): + # query/key/value projection: Glorot uniform / Xavier uniform + nn.init.xavier_uniform_(self.to_q.weight) + nn.init.xavier_uniform_(self.to_k.weight) + nn.init.xavier_uniform_(self.to_v.weight) + + # bias: normal distribution + self.to_b = init_lecun_normal(self.to_b) + + # gating: zero weights, one biases (mostly open gate at the begining) + nn.init.zeros_(self.to_g.weight) + nn.init.ones_(self.to_g.bias) + + # to_out: right before residual connection: zero initialize -- to make it sure residual operation is same to the Identity at the begining + nn.init.zeros_(self.to_out.weight) + nn.init.zeros_(self.to_out.bias) + + def forward(self, x, bias): + B, L = x.shape[:2] + # + x = self.norm_in(x) + bias = self.norm_bias(bias) + # + query = self.to_q(x).reshape(B, L, self.h, self.dim) + key = self.to_k(x).reshape(B, L, self.h, self.dim) + value = self.to_v(x).reshape(B, L, self.h, self.dim) + bias = self.to_b(bias) # (B, L, L, h) + gate = torch.sigmoid(self.to_g(x)) + # + key = key * self.scaling + attn = einsum('bqhd,bkhd->bqkh', query, key) + attn = attn + bias + attn = F.softmax(attn, dim=-2) + # + out = einsum('bqkh,bkhd->bqhd', attn, value).reshape(B, L, -1) + out = gate * out + # + out = self.to_out(out) + return out + +# MSA Attention (row/column) from AlphaFold architecture +class SequenceWeight(nn.Module): + def __init__(self, d_msa, n_head, d_hidden, p_drop=0.1): + super(SequenceWeight, self).__init__() + self.h = n_head + self.dim = d_hidden + self.scale = 1.0 / math.sqrt(self.dim) + + self.to_query = nn.Linear(d_msa, n_head*d_hidden) + self.to_key = nn.Linear(d_msa, n_head*d_hidden) + self.dropout = nn.Dropout(p_drop) + + self.reset_parameter() + + def reset_parameter(self): + # query/key/value projection: Glorot uniform / Xavier uniform + nn.init.xavier_uniform_(self.to_query.weight) + nn.init.xavier_uniform_(self.to_key.weight) + + def forward(self, msa): + B, N, L = msa.shape[:3] + + tar_seq = msa[:,0] + + q = self.to_query(tar_seq).view(B, 1, L, self.h, self.dim) + k = self.to_key(msa).view(B, N, L, self.h, self.dim) + + q = q * self.scale + attn = einsum('bqihd,bkihd->bkihq', q, k) + attn = F.softmax(attn, dim=1) + return self.dropout(attn) + +class MSARowAttentionWithBias(nn.Module): + def __init__(self, d_msa=256, d_pair=128, n_head=8, d_hidden=32): + super(MSARowAttentionWithBias, self).__init__() + self.norm_msa = nn.LayerNorm(d_msa) + self.norm_pair = nn.LayerNorm(d_pair) + # + self.seq_weight = SequenceWeight(d_msa, n_head, d_hidden, p_drop=0.1) + self.to_q = nn.Linear(d_msa, n_head*d_hidden, bias=False) + self.to_k = nn.Linear(d_msa, n_head*d_hidden, bias=False) + self.to_v = nn.Linear(d_msa, n_head*d_hidden, bias=False) + self.to_b = nn.Linear(d_pair, n_head, bias=False) + self.to_g = nn.Linear(d_msa, n_head*d_hidden) + self.to_out = nn.Linear(n_head*d_hidden, d_msa) + + self.scaling = 1/math.sqrt(d_hidden) + self.h = n_head + self.dim = d_hidden + + self.reset_parameter() + + def reset_parameter(self): + # query/key/value projection: Glorot uniform / Xavier uniform + nn.init.xavier_uniform_(self.to_q.weight) + nn.init.xavier_uniform_(self.to_k.weight) + nn.init.xavier_uniform_(self.to_v.weight) + + # bias: normal distribution + self.to_b = init_lecun_normal(self.to_b) + + # gating: zero weights, one biases (mostly open gate at the begining) + nn.init.zeros_(self.to_g.weight) + nn.init.ones_(self.to_g.bias) + + # to_out: right before residual connection: zero initialize -- to make it sure residual operation is same to the Identity at the begining + nn.init.zeros_(self.to_out.weight) + nn.init.zeros_(self.to_out.bias) + + def forward(self, msa, pair): # TODO: make this as tied-attention + B, N, L = msa.shape[:3] + # + msa = self.norm_msa(msa) + pair = self.norm_pair(pair) + # + seq_weight = self.seq_weight(msa) # (B, N, L, h, 1) + query = self.to_q(msa).reshape(B, N, L, self.h, self.dim) + key = self.to_k(msa).reshape(B, N, L, self.h, self.dim) + value = self.to_v(msa).reshape(B, N, L, self.h, self.dim) + bias = self.to_b(pair) # (B, L, L, h) + gate = torch.sigmoid(self.to_g(msa)) + # + query = query * seq_weight.expand(-1, -1, -1, -1, self.dim) + key = key * self.scaling + attn = einsum('bsqhd,bskhd->bqkh', query, key) + attn = attn + bias + attn = F.softmax(attn, dim=-2) + # + out = einsum('bqkh,bskhd->bsqhd', attn, value).reshape(B, N, L, -1) + out = gate * out + # + out = self.to_out(out) + return out + +class MSAColAttention(nn.Module): + def __init__(self, d_msa=256, n_head=8, d_hidden=32): + super(MSAColAttention, self).__init__() + self.norm_msa = nn.LayerNorm(d_msa) + # + self.to_q = nn.Linear(d_msa, n_head*d_hidden, bias=False) + self.to_k = nn.Linear(d_msa, n_head*d_hidden, bias=False) + self.to_v = nn.Linear(d_msa, n_head*d_hidden, bias=False) + self.to_g = nn.Linear(d_msa, n_head*d_hidden) + self.to_out = nn.Linear(n_head*d_hidden, d_msa) + + self.scaling = 1/math.sqrt(d_hidden) + self.h = n_head + self.dim = d_hidden + + self.reset_parameter() + + def reset_parameter(self): + # query/key/value projection: Glorot uniform / Xavier uniform + nn.init.xavier_uniform_(self.to_q.weight) + nn.init.xavier_uniform_(self.to_k.weight) + nn.init.xavier_uniform_(self.to_v.weight) + + # gating: zero weights, one biases (mostly open gate at the begining) + nn.init.zeros_(self.to_g.weight) + nn.init.ones_(self.to_g.bias) + + # to_out: right before residual connection: zero initialize -- to make it sure residual operation is same to the Identity at the begining + nn.init.zeros_(self.to_out.weight) + nn.init.zeros_(self.to_out.bias) + + def forward(self, msa): + B, N, L = msa.shape[:3] + # + msa = self.norm_msa(msa) + # + query = self.to_q(msa).reshape(B, N, L, self.h, self.dim) + key = self.to_k(msa).reshape(B, N, L, self.h, self.dim) + value = self.to_v(msa).reshape(B, N, L, self.h, self.dim) + gate = torch.sigmoid(self.to_g(msa)) + # + query = query * self.scaling + attn = einsum('bqihd,bkihd->bihqk', query, key) + attn = F.softmax(attn, dim=-1) + # + out = einsum('bihqk,bkihd->bqihd', attn, value).reshape(B, N, L, -1) + out = gate * out + # + out = self.to_out(out) + return out + +class MSAColGlobalAttention(nn.Module): + def __init__(self, d_msa=64, n_head=8, d_hidden=8): + super(MSAColGlobalAttention, self).__init__() + self.norm_msa = nn.LayerNorm(d_msa) + # + self.to_q = nn.Linear(d_msa, n_head*d_hidden, bias=False) + self.to_k = nn.Linear(d_msa, d_hidden, bias=False) + self.to_v = nn.Linear(d_msa, d_hidden, bias=False) + self.to_g = nn.Linear(d_msa, n_head*d_hidden) + self.to_out = nn.Linear(n_head*d_hidden, d_msa) + + self.scaling = 1/math.sqrt(d_hidden) + self.h = n_head + self.dim = d_hidden + + self.reset_parameter() + + def reset_parameter(self): + # query/key/value projection: Glorot uniform / Xavier uniform + nn.init.xavier_uniform_(self.to_q.weight) + nn.init.xavier_uniform_(self.to_k.weight) + nn.init.xavier_uniform_(self.to_v.weight) + + # gating: zero weights, one biases (mostly open gate at the begining) + nn.init.zeros_(self.to_g.weight) + nn.init.ones_(self.to_g.bias) + + # to_out: right before residual connection: zero initialize -- to make it sure residual operation is same to the Identity at the begining + nn.init.zeros_(self.to_out.weight) + nn.init.zeros_(self.to_out.bias) + + def forward(self, msa): + B, N, L = msa.shape[:3] + # + msa = self.norm_msa(msa) + # + query = self.to_q(msa).reshape(B, N, L, self.h, self.dim) + query = query.mean(dim=1) # (B, L, h, dim) + key = self.to_k(msa) # (B, N, L, dim) + value = self.to_v(msa) # (B, N, L, dim) + gate = torch.sigmoid(self.to_g(msa)) # (B, N, L, h*dim) + # + query = query * self.scaling + attn = einsum('bihd,bkid->bihk', query, key) # (B, L, h, N) + attn = F.softmax(attn, dim=-1) + # + out = einsum('bihk,bkid->bihd', attn, value).reshape(B, 1, L, -1) # (B, 1, L, h*dim) + out = gate * out # (B, N, L, h*dim) + # + out = self.to_out(out) + return out + +# Instead of triangle attention, use Tied axail attention with bias from coordinates..? +class BiasedAxialAttention(nn.Module): + def __init__(self, d_pair, d_bias, n_head, d_hidden, p_drop=0.1, is_row=True): + super(BiasedAxialAttention, self).__init__() + # + self.is_row = is_row + self.norm_pair = nn.LayerNorm(d_pair) + self.norm_bias = nn.LayerNorm(d_bias) + + self.to_q = nn.Linear(d_pair, n_head*d_hidden, bias=False) + self.to_k = nn.Linear(d_pair, n_head*d_hidden, bias=False) + self.to_v = nn.Linear(d_pair, n_head*d_hidden, bias=False) + self.to_b = nn.Linear(d_bias, n_head, bias=False) + self.to_g = nn.Linear(d_pair, n_head*d_hidden) + self.to_out = nn.Linear(n_head*d_hidden, d_pair) + + self.scaling = 1/math.sqrt(d_hidden) + self.h = n_head + self.dim = d_hidden + + # initialize all parameters properly + self.reset_parameter() + + def reset_parameter(self): + # query/key/value projection: Glorot uniform / Xavier uniform + nn.init.xavier_uniform_(self.to_q.weight) + nn.init.xavier_uniform_(self.to_k.weight) + nn.init.xavier_uniform_(self.to_v.weight) + + # bias: normal distribution + self.to_b = init_lecun_normal(self.to_b) + + # gating: zero weights, one biases (mostly open gate at the begining) + nn.init.zeros_(self.to_g.weight) + nn.init.ones_(self.to_g.bias) + + # to_out: right before residual connection: zero initialize -- to make it sure residual operation is same to the Identity at the begining + nn.init.zeros_(self.to_out.weight) + nn.init.zeros_(self.to_out.bias) + + def forward(self, pair, bias): + # pair: (B, L, L, d_pair) + B, L = pair.shape[:2] + + if self.is_row: + pair = pair.permute(0,2,1,3) + bias = bias.permute(0,2,1,3) + + pair = self.norm_pair(pair) + bias = self.norm_bias(bias) + + query = self.to_q(pair).reshape(B, L, L, self.h, self.dim) + key = self.to_k(pair).reshape(B, L, L, self.h, self.dim) + value = self.to_v(pair).reshape(B, L, L, self.h, self.dim) + bias = self.to_b(bias) # (B, L, L, h) + gate = torch.sigmoid(self.to_g(pair)) # (B, L, L, h*dim) + + query = query * self.scaling + key = key / math.sqrt(L) # normalize for tied attention + attn = einsum('bnihk,bnjhk->bijh', query, key) # tied attention + attn = attn + bias # apply bias + attn = F.softmax(attn, dim=-2) # (B, L, L, h) + + out = einsum('bijh,bkjhd->bikhd', attn, value).reshape(B, L, L, -1) + out = gate * out + + out = self.to_out(out) + if self.is_row: + out = out.permute(0,2,1,3) + return out + diff --git a/RFdiffusion/rfdiffusion/AuxiliaryPredictor.py b/RFdiffusion/rfdiffusion/AuxiliaryPredictor.py new file mode 100644 index 0000000000000000000000000000000000000000..dd246e193cbe54bdec383aa46c575f6e2de3d1d7 --- /dev/null +++ b/RFdiffusion/rfdiffusion/AuxiliaryPredictor.py @@ -0,0 +1,92 @@ +import torch +import torch.nn as nn + +class DistanceNetwork(nn.Module): + def __init__(self, n_feat, p_drop=0.1): + super(DistanceNetwork, self).__init__() + # + self.proj_symm = nn.Linear(n_feat, 37*2) + self.proj_asymm = nn.Linear(n_feat, 37+19) + + self.reset_parameter() + + def reset_parameter(self): + # initialize linear layer for final logit prediction + nn.init.zeros_(self.proj_symm.weight) + nn.init.zeros_(self.proj_asymm.weight) + nn.init.zeros_(self.proj_symm.bias) + nn.init.zeros_(self.proj_asymm.bias) + + def forward(self, x): + # input: pair info (B, L, L, C) + + # predict theta, phi (non-symmetric) + logits_asymm = self.proj_asymm(x) + logits_theta = logits_asymm[:,:,:,:37].permute(0,3,1,2) + logits_phi = logits_asymm[:,:,:,37:].permute(0,3,1,2) + + # predict dist, omega + logits_symm = self.proj_symm(x) + logits_symm = logits_symm + logits_symm.permute(0,2,1,3) + logits_dist = logits_symm[:,:,:,:37].permute(0,3,1,2) + logits_omega = logits_symm[:,:,:,37:].permute(0,3,1,2) + + return logits_dist, logits_omega, logits_theta, logits_phi + +class MaskedTokenNetwork(nn.Module): + def __init__(self, n_feat): + super(MaskedTokenNetwork, self).__init__() + self.proj = nn.Linear(n_feat, 21) + + self.reset_parameter() + + def reset_parameter(self): + nn.init.zeros_(self.proj.weight) + nn.init.zeros_(self.proj.bias) + + def forward(self, x): + B, N, L = x.shape[:3] + logits = self.proj(x).permute(0,3,1,2).reshape(B, -1, N*L) + + return logits + +class LDDTNetwork(nn.Module): + def __init__(self, n_feat, n_bin_lddt=50): + super(LDDTNetwork, self).__init__() + self.proj = nn.Linear(n_feat, n_bin_lddt) + + self.reset_parameter() + + def reset_parameter(self): + nn.init.zeros_(self.proj.weight) + nn.init.zeros_(self.proj.bias) + + def forward(self, x): + logits = self.proj(x) # (B, L, 50) + + return logits.permute(0,2,1) + +class ExpResolvedNetwork(nn.Module): + def __init__(self, d_msa, d_state, p_drop=0.1): + super(ExpResolvedNetwork, self).__init__() + self.norm_msa = nn.LayerNorm(d_msa) + self.norm_state = nn.LayerNorm(d_state) + self.proj = nn.Linear(d_msa+d_state, 1) + + self.reset_parameter() + + def reset_parameter(self): + nn.init.zeros_(self.proj.weight) + nn.init.zeros_(self.proj.bias) + + def forward(self, seq, state): + B, L = seq.shape[:2] + + seq = self.norm_msa(seq) + state = self.norm_state(state) + feat = torch.cat((seq, state), dim=-1) + logits = self.proj(feat) + return logits.reshape(B, L) + + + diff --git a/RFdiffusion/rfdiffusion/Embeddings.py b/RFdiffusion/rfdiffusion/Embeddings.py new file mode 100644 index 0000000000000000000000000000000000000000..a052c9dbafcb3d33b39b06dcaaf7c31d7eb3ecf8 --- /dev/null +++ b/RFdiffusion/rfdiffusion/Embeddings.py @@ -0,0 +1,303 @@ +import torch +import torch.nn as nn +import torch.nn.functional as F +from opt_einsum import contract as einsum +import torch.utils.checkpoint as checkpoint +from rfdiffusion.util import get_tips +from rfdiffusion.util_module import Dropout, create_custom_forward, rbf, init_lecun_normal +from rfdiffusion.Attention_module import Attention, FeedForwardLayer, AttentionWithBias +from rfdiffusion.Track_module import PairStr2Pair +import math + +# Module contains classes and functions to generate initial embeddings + +class PositionalEncoding2D(nn.Module): + # Add relative positional encoding to pair features + def __init__(self, d_model, minpos=-32, maxpos=32, p_drop=0.1): + super(PositionalEncoding2D, self).__init__() + self.minpos = minpos + self.maxpos = maxpos + self.nbin = abs(minpos)+maxpos+1 + self.emb = nn.Embedding(self.nbin, d_model) + self.drop = nn.Dropout(p_drop) + + def forward(self, x, idx): + bins = torch.arange(self.minpos, self.maxpos, device=x.device) + seqsep = idx[:,None,:] - idx[:,:,None] # (B, L, L) + # + ib = torch.bucketize(seqsep, bins).long() # (B, L, L) + emb = self.emb(ib) #(B, L, L, d_model) + x = x + emb # add relative positional encoding + return self.drop(x) + +class MSA_emb(nn.Module): + # Get initial seed MSA embedding + def __init__(self, d_msa=256, d_pair=128, d_state=32, d_init=22+22+2+2, + minpos=-32, maxpos=32, p_drop=0.1, input_seq_onehot=False): + super(MSA_emb, self).__init__() + self.emb = nn.Linear(d_init, d_msa) # embedding for general MSA + self.emb_q = nn.Embedding(22, d_msa) # embedding for query sequence -- used for MSA embedding + self.emb_left = nn.Embedding(22, d_pair) # embedding for query sequence -- used for pair embedding + self.emb_right = nn.Embedding(22, d_pair) # embedding for query sequence -- used for pair embedding + self.emb_state = nn.Embedding(22, d_state) + self.drop = nn.Dropout(p_drop) + self.pos = PositionalEncoding2D(d_pair, minpos=minpos, maxpos=maxpos, p_drop=p_drop) + + self.input_seq_onehot=input_seq_onehot + + self.reset_parameter() + + def reset_parameter(self): + self.emb = init_lecun_normal(self.emb) + self.emb_q = init_lecun_normal(self.emb_q) + self.emb_left = init_lecun_normal(self.emb_left) + self.emb_right = init_lecun_normal(self.emb_right) + self.emb_state = init_lecun_normal(self.emb_state) + + nn.init.zeros_(self.emb.bias) + + def forward(self, msa, seq, idx): + # Inputs: + # - msa: Input MSA (B, N, L, d_init) + # - seq: Input Sequence (B, L) + # - idx: Residue index + # Outputs: + # - msa: Initial MSA embedding (B, N, L, d_msa) + # - pair: Initial Pair embedding (B, L, L, d_pair) + + N = msa.shape[1] # number of sequenes in MSA + + # msa embedding + msa = self.emb(msa) # (B, N, L, d_model) # MSA embedding + + # Sergey's one hot trick + tmp = (seq @ self.emb_q.weight).unsqueeze(1) # (B, 1, L, d_model) -- query embedding + + msa = msa + tmp.expand(-1, N, -1, -1) # adding query embedding to MSA + msa = self.drop(msa) + + # pair embedding + # Sergey's one hot trick + left = (seq @ self.emb_left.weight)[:,None] # (B, 1, L, d_pair) + right = (seq @ self.emb_right.weight)[:,:,None] # (B, L, 1, d_pair) + + pair = left + right # (B, L, L, d_pair) + pair = self.pos(pair, idx) # add relative position + + # state embedding + # Sergey's one hot trick + state = self.drop(seq @ self.emb_state.weight) + return msa, pair, state + +class Extra_emb(nn.Module): + # Get initial seed MSA embedding + def __init__(self, d_msa=256, d_init=22+1+2, p_drop=0.1, input_seq_onehot=False): + super(Extra_emb, self).__init__() + self.emb = nn.Linear(d_init, d_msa) # embedding for general MSA + self.emb_q = nn.Embedding(22, d_msa) # embedding for query sequence + self.drop = nn.Dropout(p_drop) + + self.input_seq_onehot=input_seq_onehot + + self.reset_parameter() + + def reset_parameter(self): + self.emb = init_lecun_normal(self.emb) + nn.init.zeros_(self.emb.bias) + + def forward(self, msa, seq, idx): + # Inputs: + # - msa: Input MSA (B, N, L, d_init) + # - seq: Input Sequence (B, L) + # - idx: Residue index + # Outputs: + # - msa: Initial MSA embedding (B, N, L, d_msa) + N = msa.shape[1] # number of sequenes in MSA + msa = self.emb(msa) # (B, N, L, d_model) # MSA embedding + + # Sergey's one hot trick + seq = (seq @ self.emb_q.weight).unsqueeze(1) # (B, 1, L, d_model) -- query embedding + msa = msa + seq.expand(-1, N, -1, -1) # adding query embedding to MSA + return self.drop(msa) + +class TemplatePairStack(nn.Module): + # process template pairwise features + # use structure-biased attention + def __init__(self, n_block=2, d_templ=64, n_head=4, d_hidden=16, p_drop=0.25): + super(TemplatePairStack, self).__init__() + self.n_block = n_block + proc_s = [PairStr2Pair(d_pair=d_templ, n_head=n_head, d_hidden=d_hidden, p_drop=p_drop) for i in range(n_block)] + self.block = nn.ModuleList(proc_s) + self.norm = nn.LayerNorm(d_templ) + def forward(self, templ, rbf_feat, use_checkpoint=False): + B, T, L = templ.shape[:3] + templ = templ.reshape(B*T, L, L, -1) + + for i_block in range(self.n_block): + if use_checkpoint: + templ = checkpoint.checkpoint(create_custom_forward(self.block[i_block]), templ, rbf_feat) + else: + templ = self.block[i_block](templ, rbf_feat) + return self.norm(templ).reshape(B, T, L, L, -1) + +class TemplateTorsionStack(nn.Module): + def __init__(self, n_block=2, d_templ=64, n_head=4, d_hidden=16, p_drop=0.15): + super(TemplateTorsionStack, self).__init__() + self.n_block=n_block + self.proj_pair = nn.Linear(d_templ+36, d_templ) + proc_s = [AttentionWithBias(d_in=d_templ, d_bias=d_templ, + n_head=n_head, d_hidden=d_hidden) for i in range(n_block)] + self.row_attn = nn.ModuleList(proc_s) + proc_s = [FeedForwardLayer(d_templ, 4, p_drop=p_drop) for i in range(n_block)] + self.ff = nn.ModuleList(proc_s) + self.norm = nn.LayerNorm(d_templ) + + def reset_parameter(self): + self.proj_pair = init_lecun_normal(self.proj_pair) + nn.init.zeros_(self.proj_pair.bias) + + def forward(self, tors, pair, rbf_feat, use_checkpoint=False): + B, T, L = tors.shape[:3] + tors = tors.reshape(B*T, L, -1) + pair = pair.reshape(B*T, L, L, -1) + pair = torch.cat((pair, rbf_feat), dim=-1) + pair = self.proj_pair(pair) + + for i_block in range(self.n_block): + if use_checkpoint: + tors = tors + checkpoint.checkpoint(create_custom_forward(self.row_attn[i_block]), tors, pair) + else: + tors = tors + self.row_attn[i_block](tors, pair) + tors = tors + self.ff[i_block](tors) + return self.norm(tors).reshape(B, T, L, -1) + +class Templ_emb(nn.Module): + # Get template embedding + # Features are + # t2d: + # - 37 distogram bins + 6 orientations (43) + # - Mask (missing/unaligned) (1) + # t1d: + # - tiled AA sequence (20 standard aa + gap) + # - confidence (1) + # - contacting or note (1). NB this is added for diffusion model. Used only in complex training examples - 1 signifies that a residue in the non-diffused chain\ + # i.e. the context, is in contact with the diffused chain. + # + #Added extra t1d dimension for contacting or not + def __init__(self, d_t1d=21+1+1, d_t2d=43+1, d_tor=30, d_pair=128, d_state=32, + n_block=2, d_templ=64, + n_head=4, d_hidden=16, p_drop=0.25): + super(Templ_emb, self).__init__() + # process 2D features + self.emb = nn.Linear(d_t1d*2+d_t2d, d_templ) + self.templ_stack = TemplatePairStack(n_block=n_block, d_templ=d_templ, n_head=n_head, + d_hidden=d_hidden, p_drop=p_drop) + + self.attn = Attention(d_pair, d_templ, n_head, d_hidden, d_pair) + + # process torsion angles + self.emb_t1d = nn.Linear(d_t1d+d_tor, d_templ) + self.proj_t1d = nn.Linear(d_templ, d_templ) + #self.tor_stack = TemplateTorsionStack(n_block=n_block, d_templ=d_templ, n_head=n_head, + # d_hidden=d_hidden, p_drop=p_drop) + self.attn_tor = Attention(d_state, d_templ, n_head, d_hidden, d_state) + + self.reset_parameter() + + def reset_parameter(self): + self.emb = init_lecun_normal(self.emb) + nn.init.zeros_(self.emb.bias) + + nn.init.kaiming_normal_(self.emb_t1d.weight, nonlinearity='relu') + nn.init.zeros_(self.emb_t1d.bias) + + self.proj_t1d = init_lecun_normal(self.proj_t1d) + nn.init.zeros_(self.proj_t1d.bias) + + def forward(self, t1d, t2d, alpha_t, xyz_t, pair, state, use_checkpoint=False): + # Input + # - t1d: 1D template info (B, T, L, 23) + # - t2d: 2D template info (B, T, L, L, 44) + B, T, L, _ = t1d.shape + + # Prepare 2D template features + left = t1d.unsqueeze(3).expand(-1,-1,-1,L,-1) + right = t1d.unsqueeze(2).expand(-1,-1,L,-1,-1) + # + templ = torch.cat((t2d, left, right), -1) # (B, T, L, L, 90) + templ = self.emb(templ) # Template templures (B, T, L, L, d_templ) + # process each template features + xyz_t = xyz_t.reshape(B*T, L, -1, 3) + rbf_feat = rbf(torch.cdist(xyz_t[:,:,1], xyz_t[:,:,1])) + templ = self.templ_stack(templ, rbf_feat, use_checkpoint=use_checkpoint) # (B, T, L,L, d_templ) + + # Prepare 1D template torsion angle features + t1d = torch.cat((t1d, alpha_t), dim=-1) # (B, T, L, 23+30) + + # process each template features + t1d = self.proj_t1d(F.relu_(self.emb_t1d(t1d))) + + # mixing query state features to template state features + state = state.reshape(B*L, 1, -1) + t1d = t1d.permute(0,2,1,3).reshape(B*L, T, -1) + if use_checkpoint: + out = checkpoint.checkpoint(create_custom_forward(self.attn_tor), state, t1d, t1d) + out = out.reshape(B, L, -1) + else: + out = self.attn_tor(state, t1d, t1d).reshape(B, L, -1) + state = state.reshape(B, L, -1) + state = state + out + + # mixing query pair features to template information (Template pointwise attention) + pair = pair.reshape(B*L*L, 1, -1) + templ = templ.permute(0, 2, 3, 1, 4).reshape(B*L*L, T, -1) + if use_checkpoint: + out = checkpoint.checkpoint(create_custom_forward(self.attn), pair, templ, templ) + out = out.reshape(B, L, L, -1) + else: + out = self.attn(pair, templ, templ).reshape(B, L, L, -1) + # + pair = pair.reshape(B, L, L, -1) + pair = pair + out + + return pair, state + +class Recycling(nn.Module): + def __init__(self, d_msa=256, d_pair=128, d_state=32): + super(Recycling, self).__init__() + self.proj_dist = nn.Linear(36+d_state*2, d_pair) + self.norm_state = nn.LayerNorm(d_state) + self.norm_pair = nn.LayerNorm(d_pair) + self.norm_msa = nn.LayerNorm(d_msa) + + self.reset_parameter() + + def reset_parameter(self): + self.proj_dist = init_lecun_normal(self.proj_dist) + nn.init.zeros_(self.proj_dist.bias) + + def forward(self, seq, msa, pair, xyz, state): + B, L = pair.shape[:2] + state = self.norm_state(state) + # + left = state.unsqueeze(2).expand(-1,-1,L,-1) + right = state.unsqueeze(1).expand(-1,L,-1,-1) + + # three anchor atoms + N = xyz[:,:,0] + Ca = xyz[:,:,1] + C = xyz[:,:,2] + + # recreate Cb given N,Ca,C + b = Ca - N + c = C - Ca + a = torch.cross(b, c, dim=-1) + Cb = -0.58273431*a + 0.56802827*b - 0.54067466*c + Ca + + dist = rbf(torch.cdist(Cb, Cb)) + dist = torch.cat((dist, left, right), dim=-1) + dist = self.proj_dist(dist) + pair = dist + self.norm_pair(pair) + msa = self.norm_msa(msa) + return msa, pair, state + diff --git a/RFdiffusion/rfdiffusion/RoseTTAFoldModel.py b/RFdiffusion/rfdiffusion/RoseTTAFoldModel.py new file mode 100644 index 0000000000000000000000000000000000000000..84fbac437a08b009644e3620bdac3998ef971969 --- /dev/null +++ b/RFdiffusion/rfdiffusion/RoseTTAFoldModel.py @@ -0,0 +1,140 @@ +import torch +import torch.nn as nn +from rfdiffusion.Embeddings import MSA_emb, Extra_emb, Templ_emb, Recycling +from rfdiffusion.Track_module import IterativeSimulator +from rfdiffusion.AuxiliaryPredictor import DistanceNetwork, MaskedTokenNetwork, ExpResolvedNetwork, LDDTNetwork +from opt_einsum import contract as einsum + +class RoseTTAFoldModule(nn.Module): + def __init__(self, + n_extra_block, + n_main_block, + n_ref_block, + d_msa, + d_msa_full, + d_pair, + d_templ, + n_head_msa, + n_head_pair, + n_head_templ, + d_hidden, + d_hidden_templ, + p_drop, + d_t1d, + d_t2d, + T, # total timesteps (used in timestep emb + use_motif_timestep, # Whether to have a distinct emb for motif + freeze_track_motif, # Whether to freeze updates to motif in track + SE3_param_full={'l0_in_features':32, 'l0_out_features':16, 'num_edge_features':32}, + SE3_param_topk={'l0_in_features':32, 'l0_out_features':16, 'num_edge_features':32}, + input_seq_onehot=False, # For continuous vs. discrete sequence + ): + + super(RoseTTAFoldModule, self).__init__() + + self.freeze_track_motif = freeze_track_motif + + # Input Embeddings + d_state = SE3_param_topk['l0_out_features'] + self.latent_emb = MSA_emb(d_msa=d_msa, d_pair=d_pair, d_state=d_state, + p_drop=p_drop, input_seq_onehot=input_seq_onehot) # Allowed to take onehotseq + self.full_emb = Extra_emb(d_msa=d_msa_full, d_init=25, + p_drop=p_drop, input_seq_onehot=input_seq_onehot) # Allowed to take onehotseq + self.templ_emb = Templ_emb(d_pair=d_pair, d_templ=d_templ, d_state=d_state, + n_head=n_head_templ, + d_hidden=d_hidden_templ, p_drop=0.25, d_t1d=d_t1d, d_t2d=d_t2d) + + + # Update inputs with outputs from previous round + self.recycle = Recycling(d_msa=d_msa, d_pair=d_pair, d_state=d_state) + # + self.simulator = IterativeSimulator(n_extra_block=n_extra_block, + n_main_block=n_main_block, + n_ref_block=n_ref_block, + d_msa=d_msa, d_msa_full=d_msa_full, + d_pair=d_pair, d_hidden=d_hidden, + n_head_msa=n_head_msa, + n_head_pair=n_head_pair, + SE3_param_full=SE3_param_full, + SE3_param_topk=SE3_param_topk, + p_drop=p_drop) + ## + self.c6d_pred = DistanceNetwork(d_pair, p_drop=p_drop) + self.aa_pred = MaskedTokenNetwork(d_msa) + self.lddt_pred = LDDTNetwork(d_state) + + self.exp_pred = ExpResolvedNetwork(d_msa, d_state) + + def forward(self, msa_latent, msa_full, seq, xyz, idx, t, + t1d=None, t2d=None, xyz_t=None, alpha_t=None, + msa_prev=None, pair_prev=None, state_prev=None, + return_raw=False, return_full=False, return_infer=False, + use_checkpoint=False, motif_mask=None, i_cycle=None, n_cycle=None): + + B, N, L = msa_latent.shape[:3] + # Get embeddings + msa_latent, pair, state = self.latent_emb(msa_latent, seq, idx) + msa_full = self.full_emb(msa_full, seq, idx) + + # Do recycling + if msa_prev == None: + msa_prev = torch.zeros_like(msa_latent[:,0]) + pair_prev = torch.zeros_like(pair) + state_prev = torch.zeros_like(state) + msa_recycle, pair_recycle, state_recycle = self.recycle(seq, msa_prev, pair_prev, xyz, state_prev) + msa_latent[:,0] = msa_latent[:,0] + msa_recycle.reshape(B,L,-1) + pair = pair + pair_recycle + state = state + state_recycle + + + # Get timestep embedding (if using) + if hasattr(self, 'timestep_embedder'): + assert t is not None + time_emb = self.timestep_embedder(L,t,motif_mask) + n_tmpl = t1d.shape[1] + t1d = torch.cat([t1d, time_emb[None,None,...].repeat(1,n_tmpl,1,1)], dim=-1) + + # add template embedding + pair, state = self.templ_emb(t1d, t2d, alpha_t, xyz_t, pair, state, use_checkpoint=use_checkpoint) + + # Predict coordinates from given inputs + is_frozen_residue = motif_mask if self.freeze_track_motif else torch.zeros_like(motif_mask).bool() + msa, pair, R, T, alpha_s, state = self.simulator(seq, msa_latent, msa_full, pair, xyz[:,:,:3], + state, idx, use_checkpoint=use_checkpoint, + motif_mask=is_frozen_residue) + + if return_raw: + # get last structure + xyz = einsum('bnij,bnaj->bnai', R[-1], xyz[:,:,:3]-xyz[:,:,1].unsqueeze(-2)) + T[-1].unsqueeze(-2) + return msa[:,0], pair, xyz, state, alpha_s[-1] + + # predict masked amino acids + logits_aa = self.aa_pred(msa) + + # Predict LDDT + lddt = self.lddt_pred(state) + + if return_infer: + # get last structure + xyz = einsum('bnij,bnaj->bnai', R[-1], xyz[:,:,:3]-xyz[:,:,1].unsqueeze(-2)) + T[-1].unsqueeze(-2) + + # get scalar plddt + nbin = lddt.shape[1] + bin_step = 1.0 / nbin + lddt_bins = torch.linspace(bin_step, 1.0, nbin, dtype=lddt.dtype, device=lddt.device) + pred_lddt = nn.Softmax(dim=1)(lddt) + pred_lddt = torch.sum(lddt_bins[None,:,None]*pred_lddt, dim=1) + + return msa[:,0], pair, xyz, state, alpha_s[-1], logits_aa.permute(0,2,1), pred_lddt + + # + # predict distogram & orientograms + logits = self.c6d_pred(pair) + + # predict experimentally resolved or not + logits_exp = self.exp_pred(msa[:,0], state) + + # get all intermediate bb structures + xyz = einsum('rbnij,bnaj->rbnai', R, xyz[:,:,:3]-xyz[:,:,1].unsqueeze(-2)) + T.unsqueeze(-2) + + return logits, logits_aa, logits_exp, xyz, alpha_s, lddt diff --git a/RFdiffusion/rfdiffusion/SE3_network.py b/RFdiffusion/rfdiffusion/SE3_network.py new file mode 100644 index 0000000000000000000000000000000000000000..394f85bb49a07d259ba405a87243ca365f2ae21b --- /dev/null +++ b/RFdiffusion/rfdiffusion/SE3_network.py @@ -0,0 +1,83 @@ +import torch +import torch.nn as nn + +#from equivariant_attention.modules import get_basis_and_r, GSE3Res, GNormBias +#from equivariant_attention.modules import GConvSE3, GNormSE3 +#from equivariant_attention.fibers import Fiber + +from rfdiffusion.util_module import init_lecun_normal_param +from se3_transformer.model import SE3Transformer +from se3_transformer.model.fiber import Fiber + +class SE3TransformerWrapper(nn.Module): + """SE(3) equivariant GCN with attention""" + def __init__(self, num_layers=2, num_channels=32, num_degrees=3, n_heads=4, div=4, + l0_in_features=32, l0_out_features=32, + l1_in_features=3, l1_out_features=2, + num_edge_features=32): + super().__init__() + # Build the network + self.l1_in = l1_in_features + # + fiber_edge = Fiber({0: num_edge_features}) + if l1_out_features > 0: + if l1_in_features > 0: + fiber_in = Fiber({0: l0_in_features, 1: l1_in_features}) + fiber_hidden = Fiber.create(num_degrees, num_channels) + fiber_out = Fiber({0: l0_out_features, 1: l1_out_features}) + else: + fiber_in = Fiber({0: l0_in_features}) + fiber_hidden = Fiber.create(num_degrees, num_channels) + fiber_out = Fiber({0: l0_out_features, 1: l1_out_features}) + else: + if l1_in_features > 0: + fiber_in = Fiber({0: l0_in_features, 1: l1_in_features}) + fiber_hidden = Fiber.create(num_degrees, num_channels) + fiber_out = Fiber({0: l0_out_features}) + else: + fiber_in = Fiber({0: l0_in_features}) + fiber_hidden = Fiber.create(num_degrees, num_channels) + fiber_out = Fiber({0: l0_out_features}) + + self.se3 = SE3Transformer(num_layers=num_layers, + fiber_in=fiber_in, + fiber_hidden=fiber_hidden, + fiber_out = fiber_out, + num_heads=n_heads, + channels_div=div, + fiber_edge=fiber_edge, + use_layer_norm=True) + #use_layer_norm=False) + + self.reset_parameter() + + def reset_parameter(self): + + # make sure linear layer before ReLu are initialized with kaiming_normal_ + for n, p in self.se3.named_parameters(): + if "bias" in n: + nn.init.zeros_(p) + elif len(p.shape) == 1: + continue + else: + if "radial_func" not in n: + p = init_lecun_normal_param(p) + else: + if "net.6" in n: + nn.init.zeros_(p) + else: + nn.init.kaiming_normal_(p, nonlinearity='relu') + + # make last layers to be zero-initialized + #self.se3.graph_modules[-1].to_kernel_self['0'] = init_lecun_normal_param(self.se3.graph_modules[-1].to_kernel_self['0']) + #self.se3.graph_modules[-1].to_kernel_self['1'] = init_lecun_normal_param(self.se3.graph_modules[-1].to_kernel_self['1']) + nn.init.zeros_(self.se3.graph_modules[-1].to_kernel_self['0']) + nn.init.zeros_(self.se3.graph_modules[-1].to_kernel_self['1']) + + def forward(self, G, type_0_features, type_1_features=None, edge_features=None): + if self.l1_in > 0: + node_features = {'0': type_0_features, '1': type_1_features} + else: + node_features = {'0': type_0_features} + edge_features = {'0': edge_features} + return self.se3(G, node_features, edge_features) diff --git a/RFdiffusion/rfdiffusion/Track_module.py b/RFdiffusion/rfdiffusion/Track_module.py new file mode 100644 index 0000000000000000000000000000000000000000..12c0863d117dbc44de5852e9a90524d1c234c7a6 --- /dev/null +++ b/RFdiffusion/rfdiffusion/Track_module.py @@ -0,0 +1,474 @@ +import torch.utils.checkpoint as checkpoint +from rfdiffusion.util_module import * +from rfdiffusion.Attention_module import * +from rfdiffusion.SE3_network import SE3TransformerWrapper + +# Components for three-track blocks +# 1. MSA -> MSA update (biased attention. bias from pair & structure) +# 2. Pair -> Pair update (biased attention. bias from structure) +# 3. MSA -> Pair update (extract coevolution signal) +# 4. Str -> Str update (node from MSA, edge from Pair) + +# Update MSA with biased self-attention. bias from Pair & Str +class MSAPairStr2MSA(nn.Module): + def __init__(self, d_msa=256, d_pair=128, n_head=8, d_state=16, + d_hidden=32, p_drop=0.15, use_global_attn=False): + super(MSAPairStr2MSA, self).__init__() + self.norm_pair = nn.LayerNorm(d_pair) + self.proj_pair = nn.Linear(d_pair+36, d_pair) + self.norm_state = nn.LayerNorm(d_state) + self.proj_state = nn.Linear(d_state, d_msa) + self.drop_row = Dropout(broadcast_dim=1, p_drop=p_drop) + self.row_attn = MSARowAttentionWithBias(d_msa=d_msa, d_pair=d_pair, + n_head=n_head, d_hidden=d_hidden) + if use_global_attn: + self.col_attn = MSAColGlobalAttention(d_msa=d_msa, n_head=n_head, d_hidden=d_hidden) + else: + self.col_attn = MSAColAttention(d_msa=d_msa, n_head=n_head, d_hidden=d_hidden) + self.ff = FeedForwardLayer(d_msa, 4, p_drop=p_drop) + + # Do proper initialization + self.reset_parameter() + + def reset_parameter(self): + # initialize weights to normal distrib + self.proj_pair = init_lecun_normal(self.proj_pair) + self.proj_state = init_lecun_normal(self.proj_state) + + # initialize bias to zeros + nn.init.zeros_(self.proj_pair.bias) + nn.init.zeros_(self.proj_state.bias) + + def forward(self, msa, pair, rbf_feat, state): + ''' + Inputs: + - msa: MSA feature (B, N, L, d_msa) + - pair: Pair feature (B, L, L, d_pair) + - rbf_feat: Ca-Ca distance feature calculated from xyz coordinates (B, L, L, 36) + - xyz: xyz coordinates (B, L, n_atom, 3) + - state: updated node features after SE(3)-Transformer layer (B, L, d_state) + Output: + - msa: Updated MSA feature (B, N, L, d_msa) + ''' + B, N, L = msa.shape[:3] + + # prepare input bias feature by combining pair & coordinate info + pair = self.norm_pair(pair) + pair = torch.cat((pair, rbf_feat), dim=-1) + pair = self.proj_pair(pair) # (B, L, L, d_pair) + # + # update query sequence feature (first sequence in the MSA) with feedbacks (state) from SE3 + state = self.norm_state(state) + state = self.proj_state(state).reshape(B, 1, L, -1) + msa = msa.index_add(1, torch.tensor([0,], device=state.device), state) + # + # Apply row/column attention to msa & transform + msa = msa + self.drop_row(self.row_attn(msa, pair)) + msa = msa + self.col_attn(msa) + msa = msa + self.ff(msa) + + return msa + +class PairStr2Pair(nn.Module): + def __init__(self, d_pair=128, n_head=4, d_hidden=32, d_rbf=36, p_drop=0.15): + super(PairStr2Pair, self).__init__() + + self.emb_rbf = nn.Linear(d_rbf, d_hidden) + self.proj_rbf = nn.Linear(d_hidden, d_pair) + + self.drop_row = Dropout(broadcast_dim=1, p_drop=p_drop) + self.drop_col = Dropout(broadcast_dim=2, p_drop=p_drop) + + self.row_attn = BiasedAxialAttention(d_pair, d_pair, n_head, d_hidden, p_drop=p_drop, is_row=True) + self.col_attn = BiasedAxialAttention(d_pair, d_pair, n_head, d_hidden, p_drop=p_drop, is_row=False) + + self.ff = FeedForwardLayer(d_pair, 2) + + self.reset_parameter() + + def reset_parameter(self): + nn.init.kaiming_normal_(self.emb_rbf.weight, nonlinearity='relu') + nn.init.zeros_(self.emb_rbf.bias) + + self.proj_rbf = init_lecun_normal(self.proj_rbf) + nn.init.zeros_(self.proj_rbf.bias) + + def forward(self, pair, rbf_feat): + B, L = pair.shape[:2] + + rbf_feat = self.proj_rbf(F.relu_(self.emb_rbf(rbf_feat))) + + pair = pair + self.drop_row(self.row_attn(pair, rbf_feat)) + pair = pair + self.drop_col(self.col_attn(pair, rbf_feat)) + pair = pair + self.ff(pair) + return pair + +class MSA2Pair(nn.Module): + def __init__(self, d_msa=256, d_pair=128, d_hidden=32, p_drop=0.15): + super(MSA2Pair, self).__init__() + self.norm = nn.LayerNorm(d_msa) + self.proj_left = nn.Linear(d_msa, d_hidden) + self.proj_right = nn.Linear(d_msa, d_hidden) + self.proj_out = nn.Linear(d_hidden*d_hidden, d_pair) + + self.reset_parameter() + + def reset_parameter(self): + # normal initialization + self.proj_left = init_lecun_normal(self.proj_left) + self.proj_right = init_lecun_normal(self.proj_right) + nn.init.zeros_(self.proj_left.bias) + nn.init.zeros_(self.proj_right.bias) + + # zero initialize output + nn.init.zeros_(self.proj_out.weight) + nn.init.zeros_(self.proj_out.bias) + + def forward(self, msa, pair): + B, N, L = msa.shape[:3] + msa = self.norm(msa) + left = self.proj_left(msa) + right = self.proj_right(msa) + right = right / float(N) + out = einsum('bsli,bsmj->blmij', left, right).reshape(B, L, L, -1) + out = self.proj_out(out) + + pair = pair + out + + return pair + +class SCPred(nn.Module): + def __init__(self, d_msa=256, d_state=32, d_hidden=128, p_drop=0.15): + super(SCPred, self).__init__() + self.norm_s0 = nn.LayerNorm(d_msa) + self.norm_si = nn.LayerNorm(d_state) + self.linear_s0 = nn.Linear(d_msa, d_hidden) + self.linear_si = nn.Linear(d_state, d_hidden) + + # ResNet layers + self.linear_1 = nn.Linear(d_hidden, d_hidden) + self.linear_2 = nn.Linear(d_hidden, d_hidden) + self.linear_3 = nn.Linear(d_hidden, d_hidden) + self.linear_4 = nn.Linear(d_hidden, d_hidden) + + # Final outputs + self.linear_out = nn.Linear(d_hidden, 20) + + self.reset_parameter() + + def reset_parameter(self): + # normal initialization + self.linear_s0 = init_lecun_normal(self.linear_s0) + self.linear_si = init_lecun_normal(self.linear_si) + self.linear_out = init_lecun_normal(self.linear_out) + nn.init.zeros_(self.linear_s0.bias) + nn.init.zeros_(self.linear_si.bias) + nn.init.zeros_(self.linear_out.bias) + + # right before relu activation: He initializer (kaiming normal) + nn.init.kaiming_normal_(self.linear_1.weight, nonlinearity='relu') + nn.init.zeros_(self.linear_1.bias) + nn.init.kaiming_normal_(self.linear_3.weight, nonlinearity='relu') + nn.init.zeros_(self.linear_3.bias) + + # right before residual connection: zero initialize + nn.init.zeros_(self.linear_2.weight) + nn.init.zeros_(self.linear_2.bias) + nn.init.zeros_(self.linear_4.weight) + nn.init.zeros_(self.linear_4.bias) + + def forward(self, seq, state): + ''' + Predict side-chain torsion angles along with backbone torsions + Inputs: + - seq: hidden embeddings corresponding to query sequence (B, L, d_msa) + - state: state feature (output l0 feature) from previous SE3 layer (B, L, d_state) + Outputs: + - si: predicted torsion angles (phi, psi, omega, chi1~4 with cos/sin, Cb bend, Cb twist, CG) (B, L, 10, 2) + ''' + B, L = seq.shape[:2] + seq = self.norm_s0(seq) + state = self.norm_si(state) + si = self.linear_s0(seq) + self.linear_si(state) + + si = si + self.linear_2(F.relu_(self.linear_1(F.relu_(si)))) + si = si + self.linear_4(F.relu_(self.linear_3(F.relu_(si)))) + + si = self.linear_out(F.relu_(si)) + return si.view(B, L, 10, 2) + + +class Str2Str(nn.Module): + def __init__(self, d_msa=256, d_pair=128, d_state=16, + SE3_param={'l0_in_features':32, 'l0_out_features':16, 'num_edge_features':32}, p_drop=0.1): + super(Str2Str, self).__init__() + + # initial node & pair feature process + self.norm_msa = nn.LayerNorm(d_msa) + self.norm_pair = nn.LayerNorm(d_pair) + self.norm_state = nn.LayerNorm(d_state) + + self.embed_x = nn.Linear(d_msa+d_state, SE3_param['l0_in_features']) + self.embed_e1 = nn.Linear(d_pair, SE3_param['num_edge_features']) + self.embed_e2 = nn.Linear(SE3_param['num_edge_features']+36+1, SE3_param['num_edge_features']) + + self.norm_node = nn.LayerNorm(SE3_param['l0_in_features']) + self.norm_edge1 = nn.LayerNorm(SE3_param['num_edge_features']) + self.norm_edge2 = nn.LayerNorm(SE3_param['num_edge_features']) + + self.se3 = SE3TransformerWrapper(**SE3_param) + self.sc_predictor = SCPred(d_msa=d_msa, d_state=SE3_param['l0_out_features'], + p_drop=p_drop) + + self.reset_parameter() + + def reset_parameter(self): + # initialize weights to normal distribution + self.embed_x = init_lecun_normal(self.embed_x) + self.embed_e1 = init_lecun_normal(self.embed_e1) + self.embed_e2 = init_lecun_normal(self.embed_e2) + + # initialize bias to zeros + nn.init.zeros_(self.embed_x.bias) + nn.init.zeros_(self.embed_e1.bias) + nn.init.zeros_(self.embed_e2.bias) + + @torch.cuda.amp.autocast(enabled=False) + def forward(self, msa, pair, R_in, T_in, xyz, state, idx, motif_mask, top_k=64, eps=1e-5): + B, N, L = msa.shape[:3] + + if motif_mask is None: + motif_mask = torch.zeros(L).bool() + + # process msa & pair features + node = self.norm_msa(msa[:,0]) + pair = self.norm_pair(pair) + state = self.norm_state(state) + + node = torch.cat((node, state), dim=-1) + node = self.norm_node(self.embed_x(node)) + pair = self.norm_edge1(self.embed_e1(pair)) + + neighbor = get_seqsep(idx) + rbf_feat = rbf(torch.cdist(xyz[:,:,1], xyz[:,:,1])) + pair = torch.cat((pair, rbf_feat, neighbor), dim=-1) + pair = self.norm_edge2(self.embed_e2(pair)) + + # define graph + if top_k != 0: + G, edge_feats = make_topk_graph(xyz[:,:,1,:], pair, idx, top_k=top_k) + else: + G, edge_feats = make_full_graph(xyz[:,:,1,:], pair, idx, top_k=top_k) + l1_feats = xyz - xyz[:,:,1,:].unsqueeze(2) + l1_feats = l1_feats.reshape(B*L, -1, 3) + + # apply SE(3) Transformer & update coordinates + shift = self.se3(G, node.reshape(B*L, -1, 1), l1_feats, edge_feats) + + state = shift['0'].reshape(B, L, -1) # (B, L, C) + + offset = shift['1'].reshape(B, L, 2, 3) + offset[:,motif_mask,...] = 0 # NOTE: motif mask is all zeros if not freeezing the motif + + delTi = offset[:,:,0,:] / 10.0 # translation + R = offset[:,:,1,:] / 100.0 # rotation + + Qnorm = torch.sqrt( 1 + torch.sum(R*R, dim=-1) ) + qA, qB, qC, qD = 1/Qnorm, R[:,:,0]/Qnorm, R[:,:,1]/Qnorm, R[:,:,2]/Qnorm + + delRi = torch.zeros((B,L,3,3), device=xyz.device) + delRi[:,:,0,0] = qA*qA+qB*qB-qC*qC-qD*qD + delRi[:,:,0,1] = 2*qB*qC - 2*qA*qD + delRi[:,:,0,2] = 2*qB*qD + 2*qA*qC + delRi[:,:,1,0] = 2*qB*qC + 2*qA*qD + delRi[:,:,1,1] = qA*qA-qB*qB+qC*qC-qD*qD + delRi[:,:,1,2] = 2*qC*qD - 2*qA*qB + delRi[:,:,2,0] = 2*qB*qD - 2*qA*qC + delRi[:,:,2,1] = 2*qC*qD + 2*qA*qB + delRi[:,:,2,2] = qA*qA-qB*qB-qC*qC+qD*qD + + Ri = einsum('bnij,bnjk->bnik', delRi, R_in) + Ti = delTi + T_in #einsum('bnij,bnj->bni', delRi, T_in) + delTi + + alpha = self.sc_predictor(msa[:,0], state) + return Ri, Ti, state, alpha + +class IterBlock(nn.Module): + def __init__(self, d_msa=256, d_pair=128, + n_head_msa=8, n_head_pair=4, + use_global_attn=False, + d_hidden=32, d_hidden_msa=None, p_drop=0.15, + SE3_param={'l0_in_features':32, 'l0_out_features':16, 'num_edge_features':32}): + super(IterBlock, self).__init__() + if d_hidden_msa == None: + d_hidden_msa = d_hidden + + self.msa2msa = MSAPairStr2MSA(d_msa=d_msa, d_pair=d_pair, + n_head=n_head_msa, + d_state=SE3_param['l0_out_features'], + use_global_attn=use_global_attn, + d_hidden=d_hidden_msa, p_drop=p_drop) + self.msa2pair = MSA2Pair(d_msa=d_msa, d_pair=d_pair, + d_hidden=d_hidden//2, p_drop=p_drop) + #d_hidden=d_hidden, p_drop=p_drop) + self.pair2pair = PairStr2Pair(d_pair=d_pair, n_head=n_head_pair, + d_hidden=d_hidden, p_drop=p_drop) + self.str2str = Str2Str(d_msa=d_msa, d_pair=d_pair, + d_state=SE3_param['l0_out_features'], + SE3_param=SE3_param, + p_drop=p_drop) + + def forward(self, msa, pair, R_in, T_in, xyz, state, idx, motif_mask, use_checkpoint=False): + rbf_feat = rbf(torch.cdist(xyz[:,:,1,:], xyz[:,:,1,:])) + if use_checkpoint: + msa = checkpoint.checkpoint(create_custom_forward(self.msa2msa), msa, pair, rbf_feat, state) + pair = checkpoint.checkpoint(create_custom_forward(self.msa2pair), msa, pair) + pair = checkpoint.checkpoint(create_custom_forward(self.pair2pair), pair, rbf_feat) + R, T, state, alpha = checkpoint.checkpoint(create_custom_forward(self.str2str, top_k=0), msa, pair, R_in, T_in, xyz, state, idx, motif_mask) + else: + msa = self.msa2msa(msa, pair, rbf_feat, state) + pair = self.msa2pair(msa, pair) + pair = self.pair2pair(pair, rbf_feat) + R, T, state, alpha = self.str2str(msa, pair, R_in, T_in, xyz, state, idx, motif_mask=motif_mask, top_k=0) + + return msa, pair, R, T, state, alpha + +class IterativeSimulator(nn.Module): + def __init__(self, n_extra_block=4, n_main_block=12, n_ref_block=4, + d_msa=256, d_msa_full=64, d_pair=128, d_hidden=32, + n_head_msa=8, n_head_pair=4, + SE3_param_full={'l0_in_features':32, 'l0_out_features':16, 'num_edge_features':32}, + SE3_param_topk={'l0_in_features':32, 'l0_out_features':16, 'num_edge_features':32}, + p_drop=0.15): + super(IterativeSimulator, self).__init__() + self.n_extra_block = n_extra_block + self.n_main_block = n_main_block + self.n_ref_block = n_ref_block + + self.proj_state = nn.Linear(SE3_param_topk['l0_out_features'], SE3_param_full['l0_out_features']) + # Update with extra sequences + if n_extra_block > 0: + self.extra_block = nn.ModuleList([IterBlock(d_msa=d_msa_full, d_pair=d_pair, + n_head_msa=n_head_msa, + n_head_pair=n_head_pair, + d_hidden_msa=8, + d_hidden=d_hidden, + p_drop=p_drop, + use_global_attn=True, + SE3_param=SE3_param_full) + for i in range(n_extra_block)]) + + # Update with seed sequences + if n_main_block > 0: + self.main_block = nn.ModuleList([IterBlock(d_msa=d_msa, d_pair=d_pair, + n_head_msa=n_head_msa, + n_head_pair=n_head_pair, + d_hidden=d_hidden, + p_drop=p_drop, + use_global_attn=False, + SE3_param=SE3_param_full) + for i in range(n_main_block)]) + + self.proj_state2 = nn.Linear(SE3_param_full['l0_out_features'], SE3_param_topk['l0_out_features']) + # Final SE(3) refinement + if n_ref_block > 0: + self.str_refiner = Str2Str(d_msa=d_msa, d_pair=d_pair, + d_state=SE3_param_topk['l0_out_features'], + SE3_param=SE3_param_topk, + p_drop=p_drop) + + self.reset_parameter() + def reset_parameter(self): + self.proj_state = init_lecun_normal(self.proj_state) + nn.init.zeros_(self.proj_state.bias) + self.proj_state2 = init_lecun_normal(self.proj_state2) + nn.init.zeros_(self.proj_state2.bias) + + def forward(self, seq, msa, msa_full, pair, xyz_in, state, idx, use_checkpoint=False, motif_mask=None): + """ + input: + seq: query sequence (B, L) + msa: seed MSA embeddings (B, N, L, d_msa) + msa_full: extra MSA embeddings (B, N, L, d_msa_full) + pair: initial residue pair embeddings (B, L, L, d_pair) + xyz_in: initial BB coordinates (B, L, n_atom, 3) + state: initial state features containing mixture of query seq, sidechain, accuracy info (B, L, d_state) + idx: residue index + motif_mask: bool tensor, True if motif position that is frozen, else False(L,) + """ + + B, L = pair.shape[:2] + + if motif_mask is None: + motif_mask = torch.zeros(L).bool() + + R_in = torch.eye(3, device=xyz_in.device).reshape(1,1,3,3).expand(B, L, -1, -1) + T_in = xyz_in[:,:,1].clone() + xyz_in = xyz_in - T_in.unsqueeze(-2) + + state = self.proj_state(state) + + R_s = list() + T_s = list() + alpha_s = list() + for i_m in range(self.n_extra_block): + R_in = R_in.detach() # detach rotation (for stability) + T_in = T_in.detach() + # Get current BB structure + xyz = einsum('bnij,bnaj->bnai', R_in, xyz_in) + T_in.unsqueeze(-2) + + msa_full, pair, R_in, T_in, state, alpha = self.extra_block[i_m](msa_full, + pair, + R_in, + T_in, + xyz, + state, + idx, + motif_mask=motif_mask, + use_checkpoint=use_checkpoint) + R_s.append(R_in) + T_s.append(T_in) + alpha_s.append(alpha) + + for i_m in range(self.n_main_block): + R_in = R_in.detach() + T_in = T_in.detach() + # Get current BB structure + xyz = einsum('bnij,bnaj->bnai', R_in, xyz_in) + T_in.unsqueeze(-2) + + msa, pair, R_in, T_in, state, alpha = self.main_block[i_m](msa, + pair, + R_in, + T_in, + xyz, + state, + idx, + motif_mask=motif_mask, + use_checkpoint=use_checkpoint) + R_s.append(R_in) + T_s.append(T_in) + alpha_s.append(alpha) + + state = self.proj_state2(state) + for i_m in range(self.n_ref_block): + R_in = R_in.detach() + T_in = T_in.detach() + xyz = einsum('bnij,bnaj->bnai', R_in, xyz_in) + T_in.unsqueeze(-2) + R_in, T_in, state, alpha = self.str_refiner(msa, + pair, + R_in, + T_in, + xyz, + state, + idx, + top_k=64, + motif_mask=motif_mask) + R_s.append(R_in) + T_s.append(T_in) + alpha_s.append(alpha) + + R_s = torch.stack(R_s, dim=0) + T_s = torch.stack(T_s, dim=0) + alpha_s = torch.stack(alpha_s, 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b/RFdiffusion/rfdiffusion/__pycache__/util_module.cpython-39.pyc new file mode 100644 index 0000000000000000000000000000000000000000..c72a2db9c80d8d01390408dfe7d004df7cee4b08 Binary files /dev/null and b/RFdiffusion/rfdiffusion/__pycache__/util_module.cpython-39.pyc differ diff --git a/RFdiffusion/rfdiffusion/chemical.py b/RFdiffusion/rfdiffusion/chemical.py new file mode 100644 index 0000000000000000000000000000000000000000..dc36d156a0aa3d81c101add49604f4208ca269ce --- /dev/null +++ b/RFdiffusion/rfdiffusion/chemical.py @@ -0,0 +1,585 @@ +import torch +import numpy as np + +num2aa=[ + 'ALA','ARG','ASN','ASP','CYS', + 'GLN','GLU','GLY','HIS','ILE', + 'LEU','LYS','MET','PHE','PRO', + 'SER','THR','TRP','TYR','VAL', + 'UNK','MAS', + ] + +# Mapping 3 letter AA to 1 letter AA (e.g. ALA to A) +one_letter = ["A", "R", "N", "D", "C", \ + "Q", "E", "G", "H", "I", \ + "L", "K", "M", "F", "P", \ + "S", "T", "W", "Y", "V", "?", "-"] + +aa2num= {x:i for i,x in enumerate(num2aa)} + +aa_321 = {a:b for a,b in zip(num2aa,one_letter)} +aa_123 = {val:key for key,val in aa_321.items()} + + +# create single letter code string from parsed integer sequence +def seq2chars(seq): + out = ''.join([aa_321[num2aa[a]] for a in seq]) + return out + +# full sc atom representation (Nx14) +aa2long=[ + (" N "," CA "," C "," O "," CB ", None, None, None, None, None, None, None, None, None," H "," HA ","1HB ","2HB ","3HB ", None, None, None, None, None, None, None, None), # ala + (" N "," CA "," C "," O "," CB "," CG "," CD "," NE "," CZ "," NH1"," NH2", None, None, None," H "," HA ","1HB ","2HB ","1HG ","2HG ","1HD ","2HD "," HE ","1HH1","2HH1","1HH2","2HH2"), # arg + (" N "," CA "," C "," O "," CB "," CG "," OD1"," ND2", None, None, None, None, None, None," H "," HA ","1HB ","2HB ","1HD2","2HD2", None, None, None, None, None, None, None), # asn + (" N "," CA "," C "," O "," CB "," CG "," OD1"," OD2", None, None, None, None, None, None," H "," HA ","1HB ","2HB ", None, None, None, None, None, None, None, None, None), # asp + (" N "," CA "," C "," O "," CB "," SG ", None, None, None, None, None, None, None, None," H "," HA ","1HB ","2HB "," HG ", None, None, None, None, None, None, None, None), # cys + (" N "," CA "," C "," O "," CB "," CG "," CD "," OE1"," NE2", None, None, None, None, None," H "," HA ","1HB ","2HB ","1HG ","2HG ","1HE2","2HE2", None, None, None, None, None), # gln + (" N "," CA "," C "," O "," CB "," CG "," CD "," OE1"," OE2", None, None, None, None, None," H "," HA ","1HB ","2HB ","1HG ","2HG ", None, None, None, None, None, None, None), # glu + (" N "," CA "," C "," O ", None, None, None, None, None, None, None, None, None, None," H ","1HA ","2HA ", None, None, None, None, None, None, None, None, None, None), # gly + (" N "," CA "," C "," O "," CB "," CG "," ND1"," CD2"," CE1"," NE2", None, None, None, None," H "," HA ","1HB ","2HB "," HD2"," HE1"," HE2", None, None, None, None, None, None), # his + (" N "," CA "," C "," O "," CB "," CG1"," CG2"," CD1", None, None, None, None, None, None," H "," HA "," HB ","1HG2","2HG2","3HG2","1HG1","2HG1","1HD1","2HD1","3HD1", None, None), # ile + (" N "," CA "," C "," O "," CB "," CG "," CD1"," CD2", None, None, None, None, None, None," H "," HA ","1HB ","2HB "," HG ","1HD1","2HD1","3HD1","1HD2","2HD2","3HD2", None, None), # leu + (" N "," CA "," C "," O "," CB "," CG "," CD "," CE "," NZ ", None, None, None, None, None," H "," HA ","1HB ","2HB ","1HG ","2HG ","1HD ","2HD ","1HE ","2HE ","1HZ ","2HZ ","3HZ "), # lys + (" N "," CA "," C "," O "," CB "," CG "," SD "," CE ", None, None, None, None, None, None," H "," HA ","1HB ","2HB ","1HG ","2HG ","1HE ","2HE ","3HE ", None, None, None, None), # met + (" N "," CA "," C "," O "," CB "," CG "," CD1"," CD2"," CE1"," CE2"," CZ ", None, None, None," H "," HA ","1HB ","2HB "," HD1"," HD2"," HE1"," HE2"," HZ ", None, None, None, None), # phe + (" N "," CA "," C "," O "," CB "," CG "," CD ", None, None, None, None, None, None, None," HA ","1HB ","2HB ","1HG ","2HG ","1HD ","2HD ", None, None, None, None, None, None), # pro + (" N "," CA "," C "," O "," CB "," OG ", None, None, None, None, None, None, None, None," H "," HG "," HA ","1HB ","2HB ", None, None, None, None, None, None, None, None), # ser + (" N "," CA "," C "," O "," CB "," OG1"," CG2", None, None, None, None, None, None, None," H "," HG1"," HA "," HB ","1HG2","2HG2","3HG2", None, None, None, None, None, None), # thr + (" N "," CA "," C "," O "," CB "," CG "," CD1"," CD2"," NE1"," CE2"," CE3"," CZ2"," CZ3"," CH2"," H "," HA ","1HB ","2HB "," HD1"," HE1"," HZ2"," HH2"," HZ3"," HE3", None, None, None), # trp + (" N "," CA "," C "," O "," CB "," CG "," CD1"," CD2"," CE1"," CE2"," CZ "," OH ", None, None," H "," HA ","1HB ","2HB "," HD1"," HE1"," HE2"," HD2"," HH ", None, None, None, None), # tyr + (" N "," CA "," C "," O "," CB "," CG1"," CG2", None, None, None, None, None, None, None," H "," HA "," HB ","1HG1","2HG1","3HG1","1HG2","2HG2","3HG2", None, None, None, None), # val + (" N "," CA "," C "," O "," CB ", None, None, None, None, None, None, None, None, None," H "," HA ","1HB ","2HB ","3HB ", None, None, None, None, None, None, None, None), # unk + (" N "," CA "," C "," O "," CB ", None, None, None, None, None, None, None, None, None," H "," HA ","1HB ","2HB ","3HB ", None, None, None, None, None, None, None, None), # mask +] + +# build the "alternate" sc mapping +aa2longalt=[ + (" N "," CA "," C "," O "," CB ", None, None, None, None, None, None, None, None, None," H "," HA ","1HB ","2HB ","3HB ", None, None, None, None, None, None, None, None), # ala + (" N "," CA "," C "," O "," CB "," CG "," CD "," NE "," CZ "," NH1"," NH2", None, None, None," H "," HA ","1HB ","2HB ","1HG ","2HG ","1HD ","2HD "," HE ","1HH1","2HH1","1HH2","2HH2"), # arg + (" N "," CA "," C "," O "," CB "," CG "," OD1"," ND2", None, None, None, None, None, None," H "," HA ","1HB ","2HB ","1HD2","2HD2", None, None, None, None, None, None, None), # asn + (" N "," CA "," C "," O "," CB "," CG "," OD2"," OD1", None, None, None, None, None, None," H "," HA ","1HB ","2HB ", None, None, None, None, None, None, None, None, None), # asp + (" N "," CA "," C "," O "," CB "," SG ", None, None, None, None, None, None, None, None," H "," HA ","1HB ","2HB "," HG ", None, None, None, None, None, None, None, None), # cys + (" N "," CA "," C "," O "," CB "," CG "," CD "," OE1"," NE2", None, None, None, None, None," H "," HA ","1HB ","2HB ","1HG ","2HG ","1HE2","2HE2", None, None, None, None, None), # gln + (" N "," CA "," C "," O "," CB "," CG "," CD "," OE2"," OE1", None, None, None, None, None," H "," HA ","1HB ","2HB ","1HG ","2HG ", None, None, None, None, None, None, None), # glu + (" N "," CA "," C "," O ", None, None, None, None, None, None, None, None, None, None," H ","1HA ","2HA ", None, None, None, None, None, None, None, None, None, None), # gly + (" N "," CA "," C "," O "," CB "," CG "," NE2"," CD2"," CE1"," ND1", None, None, None, None," H "," HA ","1HB ","2HB "," HD2"," HE1"," HE2", None, None, None, None, None, None), # his + (" N "," CA "," C "," O "," CB "," CG1"," CG2"," CD1", None, None, None, None, None, None," H "," HA "," HB ","1HG2","2HG2","3HG2","1HG1","2HG1","1HD1","2HD1","3HD1", None, None), # ile + (" N "," CA "," C "," O "," CB "," CG "," CD1"," CD2", None, None, None, None, None, None," H "," HA ","1HB ","2HB "," HG ","1HD1","2HD1","3HD1","1HD2","2HD2","3HD2", None, None), # leu + (" N "," CA "," C "," O "," CB "," CG "," CD "," CE "," NZ ", None, None, None, None, None," H "," HA ","1HB ","2HB ","1HG ","2HG ","1HD ","2HD ","1HE ","2HE ","1HZ ","2HZ ","3HZ "), # lys + (" N "," CA "," C "," O "," CB "," CG "," SD "," CE ", None, None, None, None, None, None," H "," HA ","1HB ","2HB ","1HG ","2HG ","1HE ","2HE ","3HE ", None, None, None, None), # met + (" N "," CA "," C "," O "," CB "," CG "," CD2"," CD1"," CE2"," CE1"," CZ ", None, None, None," H "," HD2"," HE2"," HZ "," HE1"," HD1"," HA ","1HB ","2HB ", None, None, None, None), # phe + (" N "," CA "," C "," O "," CB "," CG "," CD ", None, None, None, None, None, None, None," HA ","1HB ","2HB ","1HG ","2HG ","1HD ","2HD ", None, None, None, None, None, None), # pro + (" N "," CA "," C "," O "," CB "," OG ", None, None, None, None, None, None, None, None," H "," HG "," HA ","1HB ","2HB ", None, None, None, None, None, None, None, None), # ser + (" N "," CA "," C "," O "," CB "," OG1"," CG2", None, None, None, None, None, None, None," H "," HG1"," HA "," HB ","1HG2","2HG2","3HG2", None, None, None, None, None, None), # thr + (" N "," CA "," C "," O "," CB "," CG "," CD1"," CD2"," NE1"," CE2"," CE3"," CZ2"," CZ3"," CH2"," H "," HA ","1HB ","2HB "," HD1"," HE1"," HZ2"," HH2"," HZ3"," HE3", None, None, None), # trp + (" N "," CA "," C "," O "," CB "," CG "," CD2"," CD1"," CE2"," CE1"," CZ "," OH ", None, None," H "," HA ","1HB ","2HB "," HD2"," HE2"," HE1"," HD1"," HH ", None, None, None, None), # tyr + (" N "," CA "," C "," O "," CB "," CG1"," CG2", None, None, None, None, None, None, None," H "," HA "," HB ","1HG1","2HG1","3HG1","1HG2","2HG2","3HG2", None, None, None, None), # val + (" N "," CA "," C "," O "," CB ", None, None, None, None, None, None, None, None, None," H "," HA ","1HB ","2HB ","3HB ", None, None, None, None, None, None, None, None), # unk + (" N "," CA "," C "," O "," CB ", None, None, None, None, None, None, None, None, None," H "," HA ","1HB ","2HB ","3HB ", None, None, None, None, None, None, None, None), # mask +] + +aabonds=[ + ((" N "," CA "),(" N "," H "),(" CA "," C "),(" CA "," CB "),(" CA "," HA "),(" C "," O "),(" CB ","1HB "),(" CB ","2HB "),(" CB ","3HB ")) , # ala + ((" N "," CA "),(" N "," H "),(" CA "," C "),(" CA "," CB "),(" CA "," HA "),(" C "," O "),(" CB "," CG "),(" CB ","1HB "),(" CB ","2HB "),(" CG "," CD "),(" CG ","1HG "),(" CG ","2HG "),(" CD "," NE "),(" CD ","1HD "),(" CD ","2HD "),(" NE "," CZ "),(" NE "," HE "),(" CZ "," NH1"),(" CZ "," NH2"),(" NH1","1HH1"),(" NH1","2HH1"),(" NH2","1HH2"),(" NH2","2HH2")) , # arg + ((" N "," CA "),(" N "," H "),(" CA "," C "),(" CA "," CB "),(" CA "," HA "),(" C "," O "),(" CB "," CG "),(" CB ","1HB "),(" CB ","2HB "),(" CG "," OD1"),(" CG "," ND2"),(" ND2","1HD2"),(" ND2","2HD2")) , # asn + ((" N "," CA "),(" N "," H "),(" CA "," C "),(" CA "," CB "),(" CA "," HA "),(" C "," O "),(" CB "," CG "),(" CB ","1HB "),(" CB ","2HB "),(" CG "," OD1"),(" CG "," OD2")) , # asp + ((" N "," CA "),(" N "," H "),(" CA "," C "),(" CA "," CB "),(" CA "," HA "),(" C "," O "),(" CB "," SG "),(" CB ","1HB "),(" CB ","2HB "),(" SG "," HG ")) , # cys + ((" N "," CA "),(" N "," H "),(" CA "," C "),(" CA "," CB "),(" CA "," HA "),(" C "," O "),(" CB "," CG "),(" CB ","1HB "),(" CB ","2HB "),(" CG "," CD "),(" CG ","1HG "),(" CG ","2HG "),(" CD "," OE1"),(" CD "," NE2"),(" NE2","1HE2"),(" NE2","2HE2")) , # gln + ((" N "," CA "),(" N "," H "),(" CA "," C "),(" CA "," CB "),(" CA "," HA "),(" C "," O "),(" CB "," CG "),(" CB ","1HB "),(" CB ","2HB "),(" CG "," CD "),(" CG ","1HG "),(" CG ","2HG "),(" CD "," OE1"),(" CD "," OE2")) , # glu + ((" N "," CA "),(" N "," H "),(" CA "," C "),(" CA ","1HA "),(" CA ","2HA "),(" C "," O ")) , # gly + ((" N "," CA "),(" N "," H "),(" CA "," C "),(" CA "," CB "),(" CA "," HA "),(" C "," O "),(" CB "," CG "),(" CB ","1HB "),(" CB ","2HB "),(" CG "," ND1"),(" CG "," CD2"),(" ND1"," CE1"),(" CD2"," NE2"),(" CD2"," HD2"),(" CE1"," NE2"),(" CE1"," HE1"),(" NE2"," HE2")) , # his + ((" N "," CA "),(" N "," H "),(" CA "," C "),(" CA "," CB "),(" CA "," HA "),(" C "," O "),(" CB "," CG1"),(" CB "," CG2"),(" CB "," HB "),(" CG1"," CD1"),(" CG1","1HG1"),(" CG1","2HG1"),(" CG2","1HG2"),(" CG2","2HG2"),(" CG2","3HG2"),(" CD1","1HD1"),(" CD1","2HD1"),(" CD1","3HD1")) , # ile + ((" N "," CA "),(" N "," H "),(" CA "," C "),(" CA "," CB "),(" CA "," HA "),(" C "," O "),(" CB "," CG "),(" CB ","1HB "),(" CB ","2HB "),(" CG "," CD1"),(" CG "," CD2"),(" CG "," HG "),(" CD1","1HD1"),(" CD1","2HD1"),(" CD1","3HD1"),(" CD2","1HD2"),(" CD2","2HD2"),(" CD2","3HD2")) , # leu + ((" N "," CA "),(" N "," H "),(" CA "," C "),(" CA "," CB "),(" CA "," HA "),(" C "," O "),(" CB "," CG "),(" CB ","1HB "),(" CB ","2HB "),(" CG "," CD "),(" CG ","1HG "),(" CG ","2HG "),(" CD "," CE "),(" CD ","1HD "),(" CD ","2HD "),(" CE "," NZ "),(" CE ","1HE "),(" CE ","2HE "),(" NZ ","1HZ "),(" NZ ","2HZ "),(" NZ ","3HZ ")) , # lys + ((" N "," CA "),(" N "," H "),(" CA "," C "),(" CA "," CB "),(" CA "," HA "),(" C "," O "),(" CB "," CG "),(" CB ","1HB "),(" CB ","2HB "),(" CG "," SD "),(" CG ","1HG "),(" CG ","2HG "),(" SD "," CE "),(" CE ","1HE "),(" CE ","2HE "),(" CE ","3HE ")) , # met + ((" N "," CA "),(" N "," H "),(" CA "," C "),(" CA "," CB "),(" CA "," HA "),(" C "," O "),(" CB "," CG "),(" CB ","1HB "),(" CB ","2HB "),(" CG "," CD1"),(" CG "," CD2"),(" CD1"," CE1"),(" CD1"," HD1"),(" CD2"," CE2"),(" CD2"," HD2"),(" CE1"," CZ "),(" CE1"," HE1"),(" CE2"," CZ "),(" CE2"," HE2"),(" CZ "," HZ ")) , # phe + ((" N "," CA "),(" N "," CD "),(" CA "," C "),(" CA "," CB "),(" CA "," HA "),(" C "," O "),(" CB "," CG "),(" CB ","1HB "),(" CB ","2HB "),(" CG "," CD "),(" CG ","1HG "),(" CG ","2HG "),(" CD ","1HD "),(" CD ","2HD ")) , # pro + ((" N "," CA "),(" N "," H "),(" CA "," C "),(" CA "," CB "),(" CA "," HA "),(" C "," O "),(" CB "," OG "),(" CB ","1HB "),(" CB ","2HB "),(" OG "," HG ")) , # ser + ((" N "," CA "),(" N "," H "),(" CA "," C "),(" CA "," CB "),(" CA "," HA "),(" C "," O "),(" CB "," OG1"),(" CB "," CG2"),(" CB "," HB "),(" OG1"," HG1"),(" CG2","1HG2"),(" CG2","2HG2"),(" CG2","3HG2")) , # thr + ((" N "," CA "),(" N "," H "),(" CA "," C "),(" CA "," CB "),(" CA "," HA "),(" C "," O "),(" CB "," CG "),(" CB ","1HB "),(" CB ","2HB "),(" CG "," CD1"),(" CG "," CD2"),(" CD1"," NE1"),(" CD1"," HD1"),(" CD2"," CE2"),(" CD2"," CE3"),(" NE1"," CE2"),(" NE1"," HE1"),(" CE2"," CZ2"),(" CE3"," CZ3"),(" CE3"," HE3"),(" CZ2"," CH2"),(" CZ2"," HZ2"),(" CZ3"," CH2"),(" CZ3"," HZ3"),(" CH2"," HH2")) , # trp + ((" N "," CA "),(" N "," H "),(" CA "," C "),(" CA "," CB "),(" CA "," HA "),(" C "," O "),(" CB "," CG "),(" CB ","1HB "),(" CB ","2HB "),(" CG "," CD1"),(" CG "," CD2"),(" CD1"," CE1"),(" CD1"," HD1"),(" CD2"," CE2"),(" CD2"," HD2"),(" CE1"," CZ "),(" CE1"," HE1"),(" CE2"," CZ "),(" CE2"," HE2"),(" CZ "," OH "),(" OH "," HH ")) , # tyr + ((" N "," CA "),(" N "," H "),(" CA "," C "),(" CA "," CB "),(" CA "," HA "),(" C "," O "),(" CB "," CG1"),(" CB "," CG2"),(" CB "," HB "),(" CG1","1HG1"),(" CG1","2HG1"),(" CG1","3HG1"),(" CG2","1HG2"),(" CG2","2HG2"),(" CG2","3HG2")), # val + ((" N "," CA "),(" N "," H "),(" CA "," C "),(" CA "," CB "),(" CA "," HA "),(" C "," O "),(" CB ","1HB "),(" CB ","2HB "),(" CB ","3HB ")) , # unk + ((" N "," CA "),(" N "," H "),(" CA "," C "),(" CA "," CB "),(" CA "," HA "),(" C "," O "),(" CB ","1HB "),(" CB ","2HB "),(" CB ","3HB ")) , # mask +] + +aa2type = [ + ("Nbb", "CAbb","CObb","OCbb","CH3", None, None, None, None, None, None, None, None, None,"HNbb","Hapo","Hapo","Hapo","Hapo", None, None, None, None, None, None, None, None), # ala + ("Nbb", "CAbb","CObb","OCbb","CH2", "CH2", "CH2", "NtrR","aroC","Narg","Narg", None, None, None,"HNbb","Hapo","Hapo","Hapo","Hapo","Hapo","Hapo","Hapo","Hpol","Hpol","Hpol","Hpol","Hpol"), # arg + ("Nbb", "CAbb","CObb","OCbb","CH2", "CNH2","ONH2","NH2O", None, None, None, None, None, None,"HNbb","Hapo","Hapo","Hapo","Hpol","Hpol", None, None, None, None, None, None, None), # asn + ("Nbb", "CAbb","CObb","OCbb","CH2", "COO", "OOC", "OOC", None, None, None, None, None, None,"HNbb","Hapo","Hapo","Hapo", None, None, None, None, None, None, None, None, None), # asp + ("Nbb", "CAbb","CObb","OCbb","CH2", "SH1", None, None, None, None, None, None, None, None,"HNbb","Hapo","Hapo","Hapo","HS", None, None, None, None, None, None, None, None), # cys + ("Nbb", "CAbb","CObb","OCbb","CH2", "CH2", "CNH2","ONH2","NH2O", None, None, None, None, None,"HNbb","Hapo","Hapo","Hapo","Hapo","Hapo","Hpol","Hpol", None, None, None, None, None), # gln + ("Nbb", "CAbb","CObb","OCbb","CH2", "CH2", "COO", "OOC", "OOC", None, None, None, None, None,"HNbb","Hapo","Hapo","Hapo","Hapo","Hapo", None, None, None, None, None, None, None), # glu + ("Nbb", "CAbb","CObb","OCbb", None, None, None, None, None, None, None, None, None, None,"HNbb","Hapo","Hapo", None, None, None, None, None, None, None, None, None, None), # gly + ("Nbb", "CAbb","CObb","OCbb","CH2", "CH0", "Nhis","aroC","aroC","Ntrp", None, None, None, None,"HNbb","Hapo","Hapo","Hapo","Hpol","Hapo","Hapo", None, None, None, None, None, None), # his + ("Nbb", "CAbb","CObb","OCbb","CH1", "CH2", "CH3", "CH3", None, None, None, None, None, None,"HNbb","Hapo","Hapo","Hapo","Hapo","Hapo","Hapo","Hapo","Hapo","Hapo","Hapo", None, None), # ile + ("Nbb", "CAbb","CObb","OCbb","CH2", "CH1", "CH3", "CH3", None, None, None, None, None, None,"HNbb","Hapo","Hapo","Hapo","Hapo","Hapo","Hapo","Hapo","Hapo","Hapo","Hapo", None, None), # leu + ("Nbb", "CAbb","CObb","OCbb","CH2", "CH2", "CH2", "CH2", "Nlys", None, None, None, None, None,"HNbb","Hapo","Hapo","Hapo","Hapo","Hapo","Hapo","Hapo","Hapo","Hapo","Hpol","Hpol","Hpol"), # lys + ("Nbb", "CAbb","CObb","OCbb","CH2", "CH2", "S", "CH3", None, None, None, None, None, None,"HNbb","Hapo","Hapo","Hapo","Hapo","Hapo","Hapo","Hapo","Hapo", None, None, None, None), # met + ("Nbb", "CAbb","CObb","OCbb","CH2", "CH0", "aroC","aroC","aroC","aroC","aroC", None, None, None,"HNbb","Hapo","Hapo","Hapo","Haro","Haro","Haro","Haro","Haro", None, None, None, None), # phe + ("Npro","CAbb","CObb","OCbb","CH2", "CH2", "CH2", None, None, None, None, None, None, None,"Hapo","Hapo","Hapo","Hapo","Hapo","Hapo","Hapo", None, None, None, None, None, None), # pro + ("Nbb", "CAbb","CObb","OCbb","CH2", "OH", None, None, None, None, None, None, None, None,"HNbb","Hpol","Hapo","Hapo","Hapo", None, None, None, None, None, None, None, None), # ser + ("Nbb", "CAbb","CObb","OCbb","CH1", "OH", "CH3", None, None, None, None, None, None, None,"HNbb","Hpol","Hapo","Hapo","Hapo","Hapo","Hapo", None, None, None, None, None, None), # thr + ("Nbb", "CAbb","CObb","OCbb","CH2", "CH0", "aroC","CH0", "Ntrp","CH0", "aroC","aroC","aroC","aroC","HNbb","Haro","Hapo","Hapo","Hapo","Hpol","Haro","Haro","Haro","Haro", None, None, None), # trp + ("Nbb", "CAbb","CObb","OCbb","CH2", "CH0", "aroC","aroC","aroC","aroC","CH0", "OHY", None, None,"HNbb","Haro","Haro","Haro","Haro","Hapo","Hapo","Hapo","Hpol", None, None, None, None), # tyr + ("Nbb", "CAbb","CObb","OCbb","CH1", "CH3", "CH3", None, None, None, None, None, None, None,"HNbb","Hapo","Hapo","Hapo","Hapo","Hapo","Hapo","Hapo","Hapo", None, None, None, None), # val + ("Nbb", "CAbb","CObb","OCbb","CH3", None, None, None, None, None, None, None, None, None,"HNbb","Hapo","Hapo","Hapo","Hapo", None, None, None, None, None, None, None, None), # unk + ("Nbb", "CAbb","CObb","OCbb","CH3", None, None, None, None, None, None, None, None, None,"HNbb","Hapo","Hapo","Hapo","Hapo", None, None, None, None, None, None, None, None), # mask +] + +# tip atom +aa2tip = [ + " CB ", # ala + " CZ ", # arg + " ND2", # asn + " CG ", # asp + " SG ", # cys + " NE2", # gln + " CD ", # glu + " CA ", # gly + " NE2", # his + " CD1", # ile + " CG ", # leu + " NZ ", # lys + " SD ", # met + " CZ ", # phe + " CG ", # pro + " OG ", # ser + " OG1", # thr + " CH2", # trp + " OH ", # tyr + " CB ", # val + " CB ", # unknown (gap etc) + " CB " # masked + ] + + +torsions=[ + [ None, None, None, None ], # ala + [ [" N "," CA "," CB "," CG "], [" CA "," CB "," CG "," CD "], [" CB "," CG "," CD "," NE "], [" CG "," CD "," NE "," CZ "] ], # arg + [ [" N "," CA "," CB "," CG "], [" CA "," CB "," CG "," OD1"], None, None ], # asn + [ [" N "," CA "," CB "," CG "], [" CA "," CB "," CG "," OD1"], None, None ], # asp + [ [" N "," CA "," CB "," SG "], [" CA "," CB "," SG "," HG "], None, None ], # cys + [ [" N "," CA "," CB "," CG "], [" CA "," CB "," CG "," CD "], [" CB "," CG "," CD "," OE1"], None ], # gln + [ [" N "," CA "," CB "," CG "], [" CA "," CB "," CG "," CD "], [" CB "," CG "," CD "," OE1"], None ], # glu + [ None, None, None, None ], # gly + [ [" N "," CA "," CB "," CG "], [" CA "," CB "," CG "," ND1"], [" CD2"," CE1"," HE1"," NE2"], None ], # his (protonation handled as a pseudo-torsion) + [ [" N "," CA "," CB "," CG1"], [" CA "," CB "," CG1"," CD1"], None, None ], # ile + [ [" N "," CA "," CB "," CG "], [" CA "," CB "," CG "," CD1"], None, None ], # leu + [ [" N "," CA "," CB "," CG "], [" CA "," CB "," CG "," CD "], [" CB "," CG "," CD "," CE "], [" CG "," CD "," CE "," NZ "] ], # lys + [ [" N "," CA "," CB "," CG "], [" CA "," CB "," CG "," SD "], [" CB "," CG "," SD "," CE "], None ], # met + [ [" N "," CA "," CB "," CG "], [" CA "," CB "," CG "," CD1"], None, None ], # phe + [ [" N "," CA "," CB "," CG "], [" CA "," CB "," CG "," CD "], [" CB "," CG "," CD ","1HD "], None ], # pro + [ [" N "," CA "," CB "," OG "], [" CA "," CB "," OG "," HG "], None, None ], # ser + [ [" N "," CA "," CB "," OG1"], [" CA "," CB "," OG1"," HG1"], None, None ], # thr + [ [" N "," CA "," CB "," CG "], [" CA "," CB "," CG "," CD1"], None, None ], # trp + [ [" N "," CA "," CB "," CG "], [" CA "," CB "," CG "," CD1"], [" CE1"," CZ "," OH "," HH "], None ], # tyr + [ [" N "," CA "," CB "," CG1"], None, None, None ], # val + [ None, None, None, None ], # unk + [ None, None, None, None ], # mask +] + +# ideal N, CA, C initial coordinates +init_N = torch.tensor([-0.5272, 1.3593, 0.000]).float() +init_CA = torch.zeros_like(init_N) +init_C = torch.tensor([1.5233, 0.000, 0.000]).float() +INIT_CRDS = torch.full((27, 3), np.nan) +INIT_CRDS[:3] = torch.stack((init_N, init_CA, init_C), dim=0) # (3,3) + +norm_N = init_N / (torch.norm(init_N, dim=-1, keepdim=True) + 1e-5) +norm_C = init_C / (torch.norm(init_C, dim=-1, keepdim=True) + 1e-5) +cos_ideal_NCAC = torch.sum(norm_N*norm_C, dim=-1) # cosine of ideal N-CA-C bond angle + +#fd Rosetta ideal coords +#fd - uses same "frame-building" as AF2 +ideal_coords = [ + [ # 0 ala + [' N ', 0, (-0.5272, 1.3593, 0.000)], + [' CA ', 0, (0.000, 0.000, 0.000)], + [' C ', 0, (1.5233, 0.000, 0.000)], + [' O ', 3, (0.6303, 1.0574, 0.000)], + [' H ', 2, (0.4920,-0.8821, 0.0000)], + [' HA ', 0, (-0.3341, -0.4928, 0.9132)], + [' CB ', 8, (-0.5289,-0.7734,-1.1991)], + ['1HB ', 8, (-0.1265, -1.7863, -1.1851)], + ['2HB ', 8, (-1.6173, -0.8147, -1.1541)], + ['3HB ', 8, (-0.2229, -0.2744, -2.1172)], + ], + [ # 1 arg + [' N ', 0, (-0.5272, 1.3593, 0.000)], + [' CA ', 0, (0.000, 0.000, 0.000)], + [' C ', 0, (1.5233, 0.000, 0.000)], + [' O ', 3, (0.6303, 1.0574, 0.000)], + [' H ', 2, (0.4920,-0.8821, 0.0000)], + [' HA ', 0, (-0.3467, -0.5055, 0.9018)], + [' CB ', 8, (-0.5042,-0.7698,-1.2118)], + ['1HB ', 4, ( 0.3635, -0.5318, 0.8781)], + ['2HB ', 4, ( 0.3639, -0.5323, -0.8789)], + [' CG ', 4, (0.6396,1.3794, 0.000)], + ['1HG ', 5, (0.3639, -0.5139, 0.8900)], + ['2HG ', 5, (0.3641, -0.5140, -0.8903)], + [' CD ', 5, (0.5492,1.3801, 0.000)], + ['1HD ', 6, (0.3637, -0.5135, 0.8895)], + ['2HD ', 6, (0.3636, -0.5134, -0.8893)], + [' NE ', 6, (0.5423,1.3491, 0.000)], + [' NH1', 7, (0.2012,2.2965, 0.000)], + [' NH2', 7, (2.0824,1.0030, 0.000)], + [' CZ ', 7, (0.7650,1.1090, 0.000)], + [' HE ', 7, (0.4701,-0.8955, 0.000)], + ['1HH1', 7, (-0.8059,2.3776, 0.000)], + ['1HH2', 7, (2.5160,0.0898, 0.000)], + ['2HH1', 7, (0.7745,3.1277, 0.000)], + ['2HH2', 7, (2.6554,1.8336, 0.000)], + ], + [ # 2 asn + [' N ', 0, (-0.5272, 1.3593, 0.000)], + [' CA ', 0, (0.000, 0.000, 0.000)], + [' C ', 0, (1.5233, 0.000, 0.000)], + [' O ', 3, (0.6303, 1.0574, 0.000)], + [' H ', 2, (0.4920,-0.8821, 0.0000)], + [' HA ', 0, (-0.3233, -0.4967, 0.9162)], + [' CB ', 8, (-0.5341,-0.7799,-1.1874)], + ['1HB ', 4, ( 0.3641, -0.5327, 0.8795)], + ['2HB ', 4, ( 0.3639, -0.5323, -0.8789)], + [' CG ', 4, (0.5778,1.3881, 0.000)], + [' ND2', 5, (0.5839,-1.1711, 0.000)], + [' OD1', 5, (0.6331,1.0620, 0.000)], + ['1HD2', 5, (1.5825, -1.2322, 0.000)], + ['2HD2', 5, (0.0323, -2.0046, 0.000)], + ], + [ # 3 asp + [' N ', 0, (-0.5272, 1.3593, 0.000)], + [' CA ', 0, (0.000, 0.000, 0.000)], + [' C ', 0, (1.5233, 0.000, 0.000)], + [' O ', 3, (0.6303, 1.0574, 0.000)], + [' H ', 2, (0.4920,-0.8821, 0.0000)], + [' HA ', 0, (-0.3233, -0.4967, 0.9162)], + [' CB ', 8, (-0.5162,-0.7757,-1.2144)], + ['1HB ', 4, ( 0.3639, -0.5324, 0.8791)], + ['2HB ', 4, ( 0.3640, -0.5325, -0.8792)], + [' CG ', 4, (0.5926,1.4028, 0.000)], + [' OD1', 5, (0.5746,1.0629, 0.000)], + [' OD2', 5, (0.5738,-1.0627, 0.000)], + ], + [ # 4 cys + [' N ', 0, (-0.5272, 1.3593, 0.000)], + [' CA ', 0, (0.000, 0.000, 0.000)], + [' C ', 0, (1.5233, 0.000, 0.000)], + [' O ', 3, (0.6303, 1.0574, 0.000)], + [' H ', 2, (0.4920,-0.8821, 0.0000)], + [' HA ', 0, (-0.3481, -0.5059, 0.9006)], + [' CB ', 8, (-0.5046,-0.7727,-1.2189)], + ['1HB ', 4, ( 0.3639, -0.5324, 0.8791)], + ['2HB ', 4, ( 0.3638, -0.5322, -0.8787)], + [' SG ', 4, (0.7386,1.6511, 0.000)], + [' HG ', 5, (0.1387,1.3221, 0.000)], + ], + [ # 5 gln + [' N ', 0, (-0.5272, 1.3593, 0.000)], + [' CA ', 0, (0.000, 0.000, 0.000)], + [' C ', 0, (1.5233, 0.000, 0.000)], + [' O ', 3, (0.6303, 1.0574, 0.000)], + [' H ', 2, (0.4920,-0.8821, 0.0000)], + [' HA ', 0, (-0.3363, -0.5013, 0.9074)], + [' CB ', 8, (-0.5226,-0.7776,-1.2109)], + ['1HB ', 4, ( 0.3638, -0.5323, 0.8789)], + ['2HB ', 4, ( 0.3638, -0.5322, -0.8788)], + [' CG ', 4, (0.6225,1.3857, 0.000)], + ['1HG ', 5, ( 0.3531, -0.5156, 0.8931)], + ['2HG ', 5, ( 0.3531, -0.5156, -0.8931)], + [' CD ', 5, (0.5788,1.4021, 0.000)], + [' NE2', 6, (0.5908,-1.1895, 0.000)], + [' OE1', 6, (0.6347,1.0584, 0.000)], + ['1HE2', 6, (1.5825, -1.2525, 0.000)], + ['2HE2', 6, (0.0380, -2.0229, 0.000)], + ], + [ # 6 glu + [' N ', 0, (-0.5272, 1.3593, 0.000)], + [' CA ', 0, (0.000, 0.000, 0.000)], + [' C ', 0, (1.5233, 0.000, 0.000)], + [' O ', 3, (0.6303, 1.0574, 0.000)], + [' H ', 2, (0.4920,-0.8821, 0.0000)], + [' HA ', 0, (-0.3363, -0.5013, 0.9074)], + [' CB ', 8, (-0.5197,-0.7737,-1.2137)], + ['1HB ', 4, ( 0.3638, -0.5323, 0.8789)], + ['2HB ', 4, ( 0.3638, -0.5322, -0.8788)], + [' CG ', 4, (0.6287,1.3862, 0.000)], + ['1HG ', 5, ( 0.3531, -0.5156, 0.8931)], + ['2HG ', 5, ( 0.3531, -0.5156, -0.8931)], + [' CD ', 5, (0.5850,1.3849, 0.000)], + [' OE1', 6, (0.5752,1.0618, 0.000)], + [' OE2', 6, (0.5741,-1.0635, 0.000)], + ], + [ # 7 gly + [' N ', 0, (-0.5272, 1.3593, 0.000)], + [' CA ', 0, (0.000, 0.000, 0.000)], + [' C ', 0, (1.5233, 0.000, 0.000)], + [' O ', 3, (0.6303, 1.0574, 0.000)], + [' H ', 2, (0.4920,-0.8821, 0.0000)], + ['1HA ', 0, ( -0.3676, -0.5329, 0.8771)], + ['2HA ', 0, ( -0.3674, -0.5325, -0.8765)], + ], + [ # 8 his + [' N ', 0, (-0.5272, 1.3593, 0.000)], + [' CA ', 0, (0.000, 0.000, 0.000)], + [' C ', 0, (1.5233, 0.000, 0.000)], + [' O ', 3, (0.6303, 1.0574, 0.000)], + [' H ', 2, (0.4920,-0.8821, 0.0000)], + [' HA ', 0, (-0.3299, -0.5180, 0.9001)], + [' CB ', 8, (-0.5163,-0.7809,-1.2129)], + ['1HB ', 4, ( 0.3640, -0.5325, 0.8793)], + ['2HB ', 4, ( 0.3637, -0.5321, -0.8786)], + [' CG ', 4, (0.6016,1.3710, 0.000)], + [' CD2', 5, (0.8918,-1.0184, 0.000)], + [' CE1', 5, (2.0299,0.8564, 0.000)], + [' HE1', 5, (2.8542, 1.5693, 0.000)], + [' HD2', 5, ( 0.6584, -2.0835, 0.000) ], + [' ND1', 6, (-1.8631, -1.0722, 0.000)], + [' NE2', 6, (-1.8625, 1.0707, 0.000)], + [' HE2', 6, (-1.5439, 2.0292, 0.000)], + ], + [ # 9 ile + [' N ', 0, (-0.5272, 1.3593, 0.000)], + [' CA ', 0, (0.000, 0.000, 0.000)], + [' C ', 0, (1.5233, 0.000, 0.000)], + [' O ', 3, (0.6303, 1.0574, 0.000)], + [' H ', 2, (0.4920,-0.8821, 0.0000)], + [' HA ', 0, (-0.3405, -0.5028, 0.9044)], + [' CB ', 8, (-0.5140,-0.7885,-1.2184)], + [' HB ', 4, (0.3637, -0.4714, 0.9125)], + [' CG1', 4, (0.5339,1.4348,0.000)], + [' CG2', 4, (0.5319,-0.7693,-1.1994)], + ['1HG2', 4, (1.6215, -0.7588, -1.1842)], + ['2HG2', 4, (0.1785, -1.7986, -1.1569)], + ['3HG2', 4, (0.1773, -0.3016, -2.1180)], + [' CD1', 5, (0.6106,1.3829, 0.000)], + ['1HG1', 5, (0.3637, -0.5338, 0.8774)], + ['2HG1', 5, (0.3640, -0.5322, -0.8793)], + ['1HD1', 5, (1.6978, 1.3006, 0.000)], + ['2HD1', 5, (0.2873, 1.9236, -0.8902)], + ['3HD1', 5, (0.2888, 1.9224, 0.8896)], + ], + [ # 10 leu + [' N ', 0, (-0.5272, 1.3593, 0.000)], + [' CA ', 0, (0.000, 0.000, 0.000)], + [' C ', 0, (1.525, -0.000, -0.000)], + [' O ', 3, (0.6303, 1.0574, 0.000)], + [' H ', 2, (0.4920,-0.8821, 0.0000)], + [' HA ', 0, (-0.3435, -0.5040, 0.9027)], + [' CB ', 8, (-0.5175,-0.7692,-1.2220)], + ['1HB ', 4, ( 0.3473, -0.5346, 0.8827)], + ['2HB ', 4, ( 0.3476, -0.5351, -0.8836)], + [' CG ', 4, (0.6652,1.3823, 0.000)], + [' CD1', 5, (0.5083,1.4353, 0.000)], + [' CD2', 5, (0.5079,-0.7600,1.2163)], + [' HG ', 5, (0.3640, -0.4825, -0.9075)], + ['1HD1', 5, (1.5984, 1.4353, 0.000)], + ['2HD1', 5, (0.1462, 1.9496, -0.8903)], + ['3HD1', 5, (0.1459, 1.9494, 0.8895)], + ['1HD2', 5, (1.5983, -0.7606, 1.2158)], + ['2HD2', 5, (0.1456, -0.2774, 2.1243)], + ['3HD2', 5, (0.1444, -1.7871, 1.1815)], + ], + [ # 11 lys + [' N ', 0, (-0.5272, 1.3593, 0.000)], + [' CA ', 0, (0.000, 0.000, 0.000)], + [' C ', 0, (1.5233, 0.000, 0.000)], + [' O ', 3, (0.6303, 1.0574, 0.000)], + [' H ', 2, (0.4920,-0.8821, 0.0000)], + [' HA ', 0, (-0.3335, -0.5005, 0.9097)], + ['1HB ', 4, ( 0.3640, -0.5324, 0.8791)], + ['2HB ', 4, ( 0.3639, -0.5324, -0.8790)], + [' CB ', 8, (-0.5259,-0.7785,-1.2069)], + ['1HG ', 5, (0.3641, -0.5229, 0.8852)], + ['2HG ', 5, (0.3637, -0.5227, -0.8841)], + [' CG ', 4, (0.6291,1.3869, 0.000)], + [' CD ', 5, (0.5526,1.4174, 0.000)], + ['1HD ', 6, (0.3641, -0.5239, 0.8848)], + ['2HD ', 6, (0.3638, -0.5219, -0.8850)], + [' CE ', 6, (0.5544,1.4170, 0.000)], + [' NZ ', 7, (0.5566,1.3801, 0.000)], + ['1HE ', 7, (0.4199, -0.4638, 0.9482)], + ['2HE ', 7, (0.4202, -0.4631, -0.8172)], + ['1HZ ', 7, (1.6223, 1.3980, 0.0658)], + ['2HZ ', 7, (0.2970, 1.9326, -0.7584)], + ['3HZ ', 7, (0.2981, 1.9319, 0.8909)], + ], + [ # 12 met + [' N ', 0, (-0.5272, 1.3593, 0.000)], + [' CA ', 0, (0.000, 0.000, 0.000)], + [' C ', 0, (1.5233, 0.000, 0.000)], + [' O ', 3, (0.6303, 1.0574, 0.000)], + [' H ', 2, (0.4920,-0.8821, 0.0000)], + [' HA ', 0, (-0.3303, -0.4990, 0.9108)], + ['1HB ', 4, ( 0.3635, -0.5318, 0.8781)], + ['2HB ', 4, ( 0.3641, -0.5326, -0.8795)], + [' CB ', 8, (-0.5331,-0.7727,-1.2048)], + ['1HG ', 5, (0.3637, -0.5256, 0.8823)], + ['2HG ', 5, (0.3638, -0.5249, -0.8831)], + [' CG ', 4, (0.6298,1.3858,0.000)], + [' SD ', 5, (0.6953,1.6645,0.000)], + [' CE ', 6, (0.3383,1.7581,0.000)], + ['1HE ', 6, (1.7054, 2.0532, -0.0063)], + ['2HE ', 6, (0.1906, 2.3099, -0.9072)], + ['3HE ', 6, (0.1917, 2.3792, 0.8720)], + ], + [ # 13 phe + [' N ', 0, (-0.5272, 1.3593, 0.000)], + [' CA ', 0, (0.000, 0.000, 0.000)], + [' C ', 0, (1.5233, 0.000, 0.000)], + [' O ', 3, (0.6303, 1.0574, 0.000)], + [' H ', 2, (0.4920,-0.8821, 0.0000)], + [' HA ', 0, (-0.3303, -0.4990, 0.9108)], + ['1HB ', 4, ( 0.3635, -0.5318, 0.8781)], + ['2HB ', 4, ( 0.3641, -0.5326, -0.8795)], + [' CB ', 8, (-0.5150,-0.7729,-1.2156)], + [' CG ', 4, (0.6060,1.3746, 0.000)], + [' CD1', 5, (0.7078,1.1928, 0.000)], + [' CD2', 5, (0.7084,-1.1920, 0.000)], + [' CE1', 5, (2.0900,1.1940, 0.000)], + [' CE2', 5, (2.0897,-1.1939, 0.000)], + [' CZ ', 5, (2.7809, 0.000, 0.000)], + [' HD1', 5, (0.1613, 2.1362, 0.000)], + [' HD2', 5, (0.1621, -2.1360, 0.000)], + [' HE1', 5, (2.6335, 2.1384, 0.000)], + [' HE2', 5, (2.6344, -2.1378, 0.000)], + [' HZ ', 5, (3.8700, 0.000, 0.000)], + ], + [ # 14 pro + [' N ', 0, (-0.5272, 1.3593, 0.000)], + [' CA ', 0, (0.000, 0.000, 0.000)], + [' C ', 0, (1.5233, 0.000, 0.000)], + [' O ', 3, (0.6303, 1.0574, 0.000)], + [' HA ', 0, (-0.3868, -0.5380, 0.8781)], + ['1HB ', 4, ( 0.3762, -0.5355, 0.8842)], + ['2HB ', 4, ( 0.3762, -0.5355, -0.8842)], + [' CB ', 8, (-0.5649,-0.5888,-1.2966)], + [' CG ', 4, (0.3657,1.4451,0.0000)], + [' CD ', 5, (0.3744,1.4582, 0.0)], + ['1HG ', 5, (0.3798, -0.5348, 0.8830)], + ['2HG ', 5, (0.3798, -0.5348, -0.8830)], + ['1HD ', 6, (0.3798, -0.5348, 0.8830)], + ['2HD ', 6, (0.3798, -0.5348, -0.8830)], + ], + [ # 15 ser + [' N ', 0, (-0.5272, 1.3593, 0.000)], + [' CA ', 0, (0.000, 0.000, 0.000)], + [' C ', 0, (1.5233, 0.000, 0.000)], + [' O ', 3, (0.6303, 1.0574, 0.000)], + [' H ', 2, (0.4920,-0.8821, 0.0000)], + [' HA ', 0, (-0.3425, -0.5041, 0.9048)], + ['1HB ', 4, ( 0.3637, -0.5321, 0.8786)], + ['2HB ', 4, ( 0.3636, -0.5319, -0.8782)], + [' CB ', 8, (-0.5146,-0.7595,-1.2073)], + [' OG ', 4, (0.5021,1.3081, 0.000)], + [' HG ', 5, (0.2647, 0.9230, 0.000)], + ], + [ # 16 thr + [' N ', 0, (-0.5272, 1.3593, 0.000)], + [' CA ', 0, (0.000, 0.000, 0.000)], + [' C ', 0, (1.5233, 0.000, 0.000)], + [' O ', 3, (0.6303, 1.0574, 0.000)], + [' H ', 2, (0.4920,-0.8821, 0.0000)], + [' HA ', 0, (-0.3364, -0.5015, 0.9078)], + [' HB ', 4, ( 0.3638, -0.5006, 0.8971)], + ['1HG2', 4, ( 1.6231, -0.7142, -1.2097)], + ['2HG2', 4, ( 0.1792, -1.7546, -1.2237)], + ['3HG2', 4, ( 0.1808, -0.2222, -2.1269)], + [' CB ', 8, (-0.5172,-0.7952,-1.2130)], + [' CG2', 4, (0.5334,-0.7239,-1.2267)], + [' OG1', 4, (0.4804,1.3506,0.000)], + [' HG1', 5, (0.3194, 0.9056, 0.000)], + ], + [ # 17 trp + [' N ', 0, (-0.5272, 1.3593, 0.000)], + [' CA ', 0, (0.000, 0.000, 0.000)], + [' C ', 0, (1.5233, 0.000, 0.000)], + [' O ', 3, (0.6303, 1.0574, 0.000)], + [' H ', 2, (0.4920,-0.8821, 0.0000)], + [' HA ', 0, (-0.3436, -0.5042, 0.9031)], + ['1HB ', 4, ( 0.3639, -0.5323, 0.8790)], + ['2HB ', 4, ( 0.3638, -0.5322, -0.8787)], + [' CB ', 8, (-0.5136,-0.7712,-1.2173)], + [' CG ', 4, (0.5984,1.3741, 0.000)], + [' CD1', 5, (0.8151,1.0921, 0.000)], + [' CD2', 5, (0.8753,-1.1538, 0.000)], + [' CE2', 5, (2.1865,-0.6707, 0.000)], + [' CE3', 5, (0.6541,-2.5366, 0.000)], + [' NE1', 5, (2.1309,0.7003, 0.000)], + [' CH2', 5, (3.0315,-2.8930, 0.000)], + [' CZ2', 5, (3.2813,-1.5205, 0.000)], + [' CZ3', 5, (1.7521,-3.3888, 0.000)], + [' HD1', 5, (0.4722, 2.1252, 0.000)], + [' HE1', 5, ( 2.9291, 1.3191, 0.000)], + [' HE3', 5, (-0.3597, -2.9356, 0.000)], + [' HZ2', 5, (4.3053, -1.1462, 0.000)], + [' HZ3', 5, ( 1.5712, -4.4640, 0.000)], + [' HH2', 5, ( 3.8700, -3.5898, 0.000)], + ], + [ # 18 tyr + [' N ', 0, (-0.5272, 1.3593, 0.000)], + [' CA ', 0, (0.000, 0.000, 0.000)], + [' C ', 0, (1.5233, 0.000, 0.000)], + [' O ', 3, (0.6303, 1.0574, 0.000)], + [' H ', 2, (0.4920,-0.8821, 0.0000)], + [' HA ', 0, (-0.3305, -0.4992, 0.9112)], + ['1HB ', 4, ( 0.3642, -0.5327, 0.8797)], + ['2HB ', 4, ( 0.3637, -0.5321, -0.8785)], + [' CB ', 8, (-0.5305,-0.7799,-1.2051)], + [' CG ', 4, (0.6104,1.3840, 0.000)], + [' CD1', 5, (0.6936,1.2013, 0.000)], + [' CD2', 5, (0.6934,-1.2011, 0.000)], + [' CE1', 5, (2.0751,1.2013, 0.000)], + [' CE2', 5, (2.0748,-1.2011, 0.000)], + [' OH ', 5, (4.1408, 0.000, 0.000)], + [' CZ ', 5, (2.7648, 0.000, 0.000)], + [' HD1', 5, (0.1485, 2.1455, 0.000)], + [' HD2', 5, (0.1484, -2.1451, 0.000)], + [' HE1', 5, (2.6200, 2.1450, 0.000)], + [' HE2', 5, (2.6199, -2.1453, 0.000)], + [' HH ', 6, (0.3190, 0.9057, 0.000)], + ], + [ # 19 val + [' N ', 0, (-0.5272, 1.3593, 0.000)], + [' CA ', 0, (0.000, 0.000, 0.000)], + [' C ', 0, (1.5233, 0.000, 0.000)], + [' O ', 3, (0.6303, 1.0574, 0.000)], + [' H ', 2, (0.4920,-0.8821, 0.0000)], + [' HA ', 0, (-0.3497, -0.5068, 0.9002)], + [' CB ', 8, (-0.5105,-0.7712,-1.2317)], + [' CG1', 4, (0.5326,1.4252, 0.000)], + [' CG2', 4, (0.5177,-0.7693,1.2057)], + [' HB ', 4, (0.3541, -0.4754, -0.9148)], + ['1HG1', 4, (1.6228, 1.4063, 0.000)], + ['2HG1', 4, (0.1790, 1.9457, -0.8898)], + ['3HG1', 4, (0.1798, 1.9453, 0.8903)], + ['1HG2', 4, (1.6073, -0.7659, 1.1989)], + ['2HG2', 4, (0.1586, -0.2971, 2.1203)], + ['3HG2', 4, (0.1582, -1.7976, 1.1631)], + ], + [ # 20 unk + [' N ', 0, (-0.5272, 1.3593, 0.000)], + [' CA ', 0, (0.000, 0.000, 0.000)], + [' C ', 0, (1.5233, 0.000, 0.000)], + [' O ', 3, (0.6303, 1.0574, 0.000)], + [' H ', 2, (0.4920,-0.8821, 0.0000)], + [' HA ', 0, (-0.3341, -0.4928, 0.9132)], + [' CB ', 8, (-0.5289,-0.7734,-1.1991)], + ['1HB ', 8, (-0.1265, -1.7863, -1.1851)], + ['2HB ', 8, (-1.6173, -0.8147, -1.1541)], + ['3HB ', 8, (-0.2229, -0.2744, -2.1172)], + ], + [ # 21 mask + [' N ', 0, (-0.5272, 1.3593, 0.000)], + [' CA ', 0, (0.000, 0.000, 0.000)], + [' C ', 0, (1.5233, 0.000, 0.000)], + [' O ', 3, (0.6303, 1.0574, 0.000)], + [' H ', 2, (0.4920,-0.8821, 0.0000)], + [' HA ', 0, (-0.3341, -0.4928, 0.9132)], + [' CB ', 8, (-0.5289,-0.7734,-1.1991)], + ['1HB ', 8, (-0.1265, -1.7863, -1.1851)], + ['2HB ', 8, (-1.6173, -0.8147, -1.1541)], + ['3HB ', 8, (-0.2229, -0.2744, -2.1172)], + ], +] diff --git a/RFdiffusion/rfdiffusion/contigs.py b/RFdiffusion/rfdiffusion/contigs.py new file mode 100644 index 0000000000000000000000000000000000000000..8a63e95e2dd062529cfa31398999be876a5154a8 --- /dev/null +++ b/RFdiffusion/rfdiffusion/contigs.py @@ -0,0 +1,396 @@ +import sys +import numpy as np +import random + + +class ContigMap: + """ + Class for doing mapping. + Inherited from Inpainting. To update at some point. + Supports multichain or multiple crops from a single receptor chain. + Also supports indexing jump (+200) or not, based on contig input. + Default chain outputs are inpainted chains as A (and B, C etc if multiple chains), and all fragments of receptor chain on the next one (generally B) + Output chains can be specified. Sequence must be the same number of elements as in contig string + """ + + def __init__( + self, + parsed_pdb, + contigs=None, + inpaint_seq=None, + inpaint_str=None, + length=None, + ref_idx=None, + hal_idx=None, + idx_rf=None, + inpaint_seq_tensor=None, + inpaint_str_tensor=None, + topo=False, + provide_seq=None, + ): + # sanity checks + if contigs is None and ref_idx is None: + sys.exit("Must either specify a contig string or precise mapping") + if idx_rf is not None or hal_idx is not None or ref_idx is not None: + if idx_rf is None or hal_idx is None or ref_idx is None: + sys.exit( + "If you're specifying specific contig mappings, the reference and output positions must be specified, AND the indexing for RoseTTAFold (idx_rf)" + ) + + self.chain_order = "ABCDEFGHIJKLMNOPQRSTUVWXYZ" + if length is not None: + if "-" not in length: + self.length = [int(length), int(length) + 1] + else: + self.length = [int(length.split("-")[0]), int(length.split("-")[1]) + 1] + else: + self.length = None + self.ref_idx = ref_idx + self.hal_idx = hal_idx + self.idx_rf = idx_rf + self.inpaint_seq = ( + "/".join(inpaint_seq).split("/") if inpaint_seq is not None else None + ) + self.inpaint_str = ( + "/".join(inpaint_str).split("/") if inpaint_str is not None else None + ) + self.inpaint_seq_tensor = inpaint_seq_tensor + self.inpaint_str_tensor = inpaint_str_tensor + self.parsed_pdb = parsed_pdb + self.topo = topo + if ref_idx is None: + # using default contig generation, which outputs in rosetta-like format + self.contigs = contigs + ( + self.sampled_mask, + self.contig_length, + self.n_inpaint_chains, + ) = self.get_sampled_mask() + self.receptor_chain = self.chain_order[self.n_inpaint_chains] + ( + self.receptor, + self.receptor_hal, + self.receptor_rf, + self.inpaint, + self.inpaint_hal, + self.inpaint_rf, + ) = self.expand_sampled_mask() + self.ref = self.inpaint + self.receptor + self.hal = self.inpaint_hal + self.receptor_hal + self.rf = self.inpaint_rf + self.receptor_rf + else: + # specifying precise mappings + self.ref = ref_idx + self.hal = hal_idx + self.rf = idx_rf + self.mask_1d = [False if i == ("_", "_") else True for i in self.ref] + # take care of sequence and structure masking + if self.inpaint_seq_tensor is None: + if self.inpaint_seq is not None: + self.inpaint_seq = self.get_inpaint_seq_str(self.inpaint_seq) + else: + self.inpaint_seq = np.array( + [True if i != ("_", "_") else False for i in self.ref] + ) + else: + self.inpaint_seq = self.inpaint_seq_tensor + + if self.inpaint_str_tensor is None: + if self.inpaint_str is not None: + self.inpaint_str = self.get_inpaint_seq_str(self.inpaint_str) + else: + self.inpaint_str = np.array( + [True if i != ("_", "_") else False for i in self.ref] + ) + else: + self.inpaint_str = self.inpaint_str_tensor + # get 0-indexed input/output (for trb file) + ( + self.ref_idx0, + self.hal_idx0, + self.ref_idx0_inpaint, + self.hal_idx0_inpaint, + self.ref_idx0_receptor, + self.hal_idx0_receptor, + ) = self.get_idx0() + self.con_ref_pdb_idx = [i for i in self.ref if i != ("_", "_")] + + # Handle provide seq. This is zero-indexed, and used only for partial diffusion + if provide_seq is not None: + for i in provide_seq: + if "-" in i: + self.inpaint_seq[ + int(i.split("-")[0]) : int(i.split("-")[1]) + 1 + ] = True + else: + self.inpaint_seq[int(i)] = True + + def get_sampled_mask(self): + """ + Function to get a sampled mask from a contig. + """ + length_compatible = False + count = 0 + while length_compatible is False: + inpaint_chains = 0 + contig_list = self.contigs[0].strip().split() + sampled_mask = [] + sampled_mask_length = 0 + # allow receptor chain to be last in contig string + if all([i[0].isalpha() for i in contig_list[-1].split("/")]): + contig_list[-1] = f"{contig_list[-1]}/0" + for con in contig_list: + if ( + all([i[0].isalpha() for i in con.split("/")[:-1]]) + and con.split("/")[-1] == "0" + ) or self.topo is True: + # receptor chain + sampled_mask.append(con) + else: + inpaint_chains += 1 + # chain to be inpainted. These are the only chains that count towards the length of the contig + subcons = con.split("/") + subcon_out = [] + for subcon in subcons: + if subcon[0].isalpha(): + subcon_out.append(subcon) + if "-" in subcon: + sampled_mask_length += ( + int(subcon.split("-")[1]) + - int(subcon.split("-")[0][1:]) + + 1 + ) + else: + sampled_mask_length += 1 + + else: + if "-" in subcon: + length_inpaint = random.randint( + int(subcon.split("-")[0]), int(subcon.split("-")[1]) + ) + subcon_out.append(f"{length_inpaint}-{length_inpaint}") + sampled_mask_length += length_inpaint + elif subcon == "0": + subcon_out.append("0") + else: + length_inpaint = int(subcon) + subcon_out.append(f"{length_inpaint}-{length_inpaint}") + sampled_mask_length += int(subcon) + sampled_mask.append("/".join(subcon_out)) + # check length is compatible + if self.length is not None: + if ( + sampled_mask_length >= self.length[0] + and sampled_mask_length < self.length[1] + ): + length_compatible = True + else: + length_compatible = True + count += 1 + if count == 100000: # contig string incompatible with this length + sys.exit("Contig string incompatible with --length range") + return sampled_mask, sampled_mask_length, inpaint_chains + + def expand_sampled_mask(self): + chain_order = "ABCDEFGHIJKLMNOPQRSTUVWXYZ" + receptor = [] + inpaint = [] + receptor_hal = [] + inpaint_hal = [] + receptor_idx = 1 + inpaint_idx = 1 + inpaint_chain_idx = -1 + receptor_chain_break = [] + inpaint_chain_break = [] + for con in self.sampled_mask: + if ( + all([i[0].isalpha() for i in con.split("/")[:-1]]) + and con.split("/")[-1] == "0" + ) or self.topo is True: + # receptor chain + subcons = con.split("/")[:-1] + assert all( + [i[0] == subcons[0][0] for i in subcons] + ), "If specifying fragmented receptor in a single block of the contig string, they MUST derive from the same chain" + assert all( + int(subcons[i].split("-")[0][1:]) + < int(subcons[i + 1].split("-")[0][1:]) + for i in range(len(subcons) - 1) + ), "If specifying multiple fragments from the same chain, pdb indices must be in ascending order!" + for idx, subcon in enumerate(subcons): + ref_to_add = [ + (subcon[0], i) + for i in np.arange( + int(subcon.split("-")[0][1:]), int(subcon.split("-")[1]) + 1 + ) + ] + receptor.extend(ref_to_add) + receptor_hal.extend( + [ + (self.receptor_chain, i) + for i in np.arange( + receptor_idx, receptor_idx + len(ref_to_add) + ) + ] + ) + receptor_idx += len(ref_to_add) + if idx != len(subcons) - 1: + idx_jump = ( + int(subcons[idx + 1].split("-")[0][1:]) + - int(subcon.split("-")[1]) + - 1 + ) + receptor_chain_break.append( + (receptor_idx - 1, idx_jump) + ) # actual chain break in pdb chain + else: + receptor_chain_break.append( + (receptor_idx - 1, 200) + ) # 200 aa chain break + else: + inpaint_chain_idx += 1 + for subcon in con.split("/"): + if subcon[0].isalpha(): + ref_to_add = [ + (subcon[0], i) + for i in np.arange( + int(subcon.split("-")[0][1:]), + int(subcon.split("-")[1]) + 1, + ) + ] + inpaint.extend(ref_to_add) + inpaint_hal.extend( + [ + (chain_order[inpaint_chain_idx], i) + for i in np.arange( + inpaint_idx, inpaint_idx + len(ref_to_add) + ) + ] + ) + inpaint_idx += len(ref_to_add) + + else: + inpaint.extend([("_", "_")] * int(subcon.split("-")[0])) + inpaint_hal.extend( + [ + (chain_order[inpaint_chain_idx], i) + for i in np.arange( + inpaint_idx, inpaint_idx + int(subcon.split("-")[0]) + ) + ] + ) + inpaint_idx += int(subcon.split("-")[0]) + inpaint_chain_break.append((inpaint_idx - 1, 200)) + + if self.topo is True or inpaint_hal == []: + receptor_hal = [(i[0], i[1]) for i in receptor_hal] + else: + receptor_hal = [ + (i[0], i[1] + inpaint_hal[-1][1]) for i in receptor_hal + ] # rosetta-like numbering + # get rf indexes, with chain breaks + inpaint_rf = np.arange(0, len(inpaint)) + receptor_rf = np.arange(len(inpaint) + 200, len(inpaint) + len(receptor) + 200) + for ch_break in inpaint_chain_break[:-1]: + receptor_rf[:] += 200 + inpaint_rf[ch_break[0] :] += ch_break[1] + for ch_break in receptor_chain_break[:-1]: + receptor_rf[ch_break[0] :] += ch_break[1] + + return ( + receptor, + receptor_hal, + receptor_rf.tolist(), + inpaint, + inpaint_hal, + inpaint_rf.tolist(), + ) + + def get_inpaint_seq_str(self, inpaint_s): + """ + function to generate inpaint_str or inpaint_seq masks specific to this contig + """ + s_mask = np.copy(self.mask_1d) + inpaint_s_list = [] + for i in inpaint_s: + if "-" in i: + inpaint_s_list.extend( + [ + (i[0], p) + for p in range( + int(i.split("-")[0][1:]), int(i.split("-")[1]) + 1 + ) + ] + ) + else: + inpaint_s_list.append((i[0], int(i[1:]))) + for res in inpaint_s_list: + if res in self.ref: + s_mask[self.ref.index(res)] = False # mask this residue + + return np.array(s_mask) + + def get_idx0(self): + ref_idx0 = [] + hal_idx0 = [] + ref_idx0_inpaint = [] + hal_idx0_inpaint = [] + ref_idx0_receptor = [] + hal_idx0_receptor = [] + for idx, val in enumerate(self.ref): + if val != ("_", "_"): + assert val in self.parsed_pdb["pdb_idx"], f"{val} is not in pdb file!" + hal_idx0.append(idx) + ref_idx0.append(self.parsed_pdb["pdb_idx"].index(val)) + for idx, val in enumerate(self.inpaint): + if val != ("_", "_"): + hal_idx0_inpaint.append(idx) + ref_idx0_inpaint.append(self.parsed_pdb["pdb_idx"].index(val)) + for idx, val in enumerate(self.receptor): + if val != ("_", "_"): + hal_idx0_receptor.append(idx) + ref_idx0_receptor.append(self.parsed_pdb["pdb_idx"].index(val)) + + return ( + ref_idx0, + hal_idx0, + ref_idx0_inpaint, + hal_idx0_inpaint, + ref_idx0_receptor, + hal_idx0_receptor, + ) + + def get_mappings(self): + mappings = {} + mappings["con_ref_pdb_idx"] = [i for i in self.inpaint if i != ("_", "_")] + mappings["con_hal_pdb_idx"] = [ + self.inpaint_hal[i] + for i in range(len(self.inpaint_hal)) + if self.inpaint[i] != ("_", "_") + ] + mappings["con_ref_idx0"] = np.array(self.ref_idx0_inpaint) + mappings["con_hal_idx0"] = np.array(self.hal_idx0_inpaint) + if self.inpaint != self.ref: + mappings["complex_con_ref_pdb_idx"] = [ + i for i in self.ref if i != ("_", "_") + ] + mappings["complex_con_hal_pdb_idx"] = [ + self.hal[i] for i in range(len(self.hal)) if self.ref[i] != ("_", "_") + ] + mappings["receptor_con_ref_pdb_idx"] = [ + i for i in self.receptor if i != ("_", "_") + ] + mappings["receptor_con_hal_pdb_idx"] = [ + self.receptor_hal[i] + for i in range(len(self.receptor_hal)) + if self.receptor[i] != ("_", "_") + ] + mappings["complex_con_ref_idx0"] = np.array(self.ref_idx0) + mappings["complex_con_hal_idx0"] = np.array(self.hal_idx0) + mappings["receptor_con_ref_idx0"] = np.array(self.ref_idx0_receptor) + mappings["receptor_con_hal_idx0"] = np.array(self.hal_idx0_receptor) + mappings["inpaint_str"] = self.inpaint_str + mappings["inpaint_seq"] = self.inpaint_seq + mappings["sampled_mask"] = self.sampled_mask + mappings["mask_1d"] = self.mask_1d + return mappings diff --git a/RFdiffusion/rfdiffusion/coords6d.py b/RFdiffusion/rfdiffusion/coords6d.py new file mode 100644 index 0000000000000000000000000000000000000000..d32245439f97a2b4f1b266f47900355b25cfbee1 --- /dev/null +++ b/RFdiffusion/rfdiffusion/coords6d.py @@ -0,0 +1,63 @@ +import numpy as np +import scipy +import scipy.spatial +from rfdiffusion.kinematics import get_dih + +# calculate planar angles defined by 3 sets of points +def get_angles(a, b, c): + + v = a - b + v /= np.linalg.norm(v, axis=-1)[:,None] + + w = c - b + w /= np.linalg.norm(w, axis=-1)[:,None] + + x = np.sum(v*w, axis=1) + + #return np.arccos(x) + return np.arccos(np.clip(x, -1.0, 1.0)) + +# get 6d coordinates from x,y,z coords of N,Ca,C atoms +def get_coords6d(xyz, dmax): + + nres = xyz.shape[1] + + # three anchor atoms + N = xyz[0] + Ca = xyz[1] + C = xyz[2] + + # recreate Cb given N,Ca,C + b = Ca - N + c = C - Ca + a = np.cross(b, c) + Cb = -0.58273431*a + 0.56802827*b - 0.54067466*c + Ca + + # fast neighbors search to collect all + # Cb-Cb pairs within dmax + kdCb = scipy.spatial.cKDTree(Cb) + indices = kdCb.query_ball_tree(kdCb, dmax) + + # indices of contacting residues + idx = np.array([[i,j] for i in range(len(indices)) for j in indices[i] if i != j]).T + idx0 = idx[0] + idx1 = idx[1] + + # Cb-Cb distance matrix + dist6d = np.full((nres, nres),999.9, dtype=np.float32) + dist6d[idx0,idx1] = np.linalg.norm(Cb[idx1]-Cb[idx0], axis=-1) + + # matrix of Ca-Cb-Cb-Ca dihedrals + omega6d = np.zeros((nres, nres), dtype=np.float32) + omega6d[idx0,idx1] = get_dih(Ca[idx0], Cb[idx0], Cb[idx1], Ca[idx1]) + # matrix of polar coord theta + theta6d = np.zeros((nres, nres), dtype=np.float32) + theta6d[idx0,idx1] = get_dih(N[idx0], Ca[idx0], Cb[idx0], Cb[idx1]) + + # matrix of polar coord phi + phi6d = np.zeros((nres, nres), dtype=np.float32) + phi6d[idx0,idx1] = get_angles(Ca[idx0], Cb[idx0], Cb[idx1]) + + mask = np.zeros((nres, nres), dtype=np.float32) + mask[idx0, idx1] = 1.0 + return dist6d, omega6d, theta6d, phi6d, mask diff --git a/RFdiffusion/rfdiffusion/diffusion.py b/RFdiffusion/rfdiffusion/diffusion.py new file mode 100644 index 0000000000000000000000000000000000000000..a67e5794ff6e32c594d0b0abfa789c27bc907193 --- /dev/null +++ b/RFdiffusion/rfdiffusion/diffusion.py @@ -0,0 +1,695 @@ +# script for diffusion protocols +import torch +import pickle +import numpy as np +import os +import logging + +from scipy.spatial.transform import Rotation as scipy_R + +from rfdiffusion.util import rigid_from_3_points + +from rfdiffusion.util_module import ComputeAllAtomCoords + +from rfdiffusion import igso3 +import time + +torch.set_printoptions(sci_mode=False) + + +def get_beta_schedule(T, b0, bT, schedule_type, schedule_params={}, inference=False): + """ + Given a noise schedule type, create the beta schedule + """ + assert schedule_type in ["linear"] + + # Adjust b0 and bT if T is not 200 + # This is a good approximation, with the beta correction below, unless T is very small + assert T >= 15, "With discrete time and T < 15, the schedule is badly approximated" + b0 *= 200 / T + bT *= 200 / T + + # linear noise schedule + if schedule_type == "linear": + schedule = torch.linspace(b0, bT, T) + + else: + raise NotImplementedError(f"Schedule of type {schedule_type} not implemented.") + + # get alphabar_t for convenience + alpha_schedule = 1 - schedule + alphabar_t_schedule = torch.cumprod(alpha_schedule, dim=0) + + if inference: + print( + f"With this beta schedule ({schedule_type} schedule, beta_0 = {round(b0, 3)}, beta_T = {round(bT,3)}), alpha_bar_T = {alphabar_t_schedule[-1]}" + ) + + return schedule, alpha_schedule, alphabar_t_schedule + + +class EuclideanDiffuser: + # class for diffusing points in 3D + + def __init__( + self, + T, + b_0, + b_T, + schedule_type="linear", + schedule_kwargs={}, + ): + self.T = T + + # make noise/beta schedule + ( + self.beta_schedule, + self.alpha_schedule, + self.alphabar_schedule, + ) = get_beta_schedule(T, b_0, b_T, schedule_type, **schedule_kwargs) + + def diffuse_translations(self, xyz, diffusion_mask=None, var_scale=1): + return self.apply_kernel_recursive(xyz, diffusion_mask, var_scale) + + def apply_kernel(self, x, t, diffusion_mask=None, var_scale=1): + """ + Applies a noising kernel to the points in x + + Parameters: + x (torch.tensor, required): (N,3,3) set of backbone coordinates + + t (int, required): Which timestep + + noise_scale (float, required): scale for noise + """ + t_idx = t - 1 # bring from 1-indexed to 0-indexed + + assert len(x.shape) == 3 + L, _, _ = x.shape + + # c-alpha crds + ca_xyz = x[:, 1, :] + + b_t = self.beta_schedule[t_idx] + + # get the noise at timestep t + mean = torch.sqrt(1 - b_t) * ca_xyz + var = torch.ones(L, 3) * (b_t) * var_scale + + sampled_crds = torch.normal(mean, torch.sqrt(var)) + delta = sampled_crds - ca_xyz + + if not diffusion_mask is None: + delta[diffusion_mask, ...] = 0 + + out_crds = x + delta[:, None, :] + + return out_crds, delta + + def apply_kernel_recursive(self, xyz, diffusion_mask=None, var_scale=1): + """ + Repeatedly apply self.apply_kernel T times and return all crds + """ + bb_stack = [] + T_stack = [] + + cur_xyz = torch.clone(xyz) + + for t in range(1, self.T + 1): + cur_xyz, cur_T = self.apply_kernel( + cur_xyz, t, var_scale=var_scale, diffusion_mask=diffusion_mask + ) + bb_stack.append(cur_xyz) + T_stack.append(cur_T) + + return torch.stack(bb_stack).transpose(0, 1), torch.stack(T_stack).transpose( + 0, 1 + ) + + +def write_pkl(save_path: str, pkl_data): + """Serialize data into a pickle file.""" + with open(save_path, "wb") as handle: + pickle.dump(pkl_data, handle, protocol=pickle.HIGHEST_PROTOCOL) + + +def read_pkl(read_path: str, verbose=False): + """Read data from a pickle file.""" + with open(read_path, "rb") as handle: + try: + return pickle.load(handle) + except Exception as e: + if verbose: + print(f"Failed to read {read_path}") + raise (e) + + +class IGSO3: + """ + Class for taking in a set of backbone crds and performing IGSO3 diffusion + on all of them. + + Unlike the diffusion on translations, much of this class is written for a + scaling between an initial time t=0 and final time t=1. + """ + + def __init__( + self, + *, + T, + min_sigma, + max_sigma, + min_b, + max_b, + cache_dir, + num_omega=1000, + schedule="linear", + L=2000, + ): + """ + + Args: + T: total number of time steps + min_sigma: smallest allowed scale parameter, should be at least 0.01 to maintain numerical stability. Recommended value is 0.05. + max_sigma: for exponential schedule, the largest scale parameter. Ignored for recommeded linear schedule + min_b: lower value of beta in Ho schedule analogue + max_b: upper value of beta in Ho schedule analogue + num_omega: discretization level in the angles across [0, pi] + schedule: currently only linear and exponential are supported. The exponential schedule may be noising too slowly. + L: truncation level + """ + self._log = logging.getLogger(__name__) + + self.T = T + + self.schedule = schedule + self.cache_dir = cache_dir + self.min_sigma = min_sigma + self.max_sigma = max_sigma + + if self.schedule == "linear": + self.min_b = min_b + self.max_b = max_b + self.max_sigma = self.sigma(1.0) + self.num_omega = num_omega + self.num_sigma = 500 + # Calculate igso3 values. + self.L = L # truncation level + self.igso3_vals = self._calc_igso3_vals(L=L) + self.step_size = 1 / self.T + + def _calc_igso3_vals(self, L=2000): + """_calc_igso3_vals computes numerical approximations to the + relevant analytically intractable functionals of the igso3 + distribution. + + The calculated values are cached, or loaded from cache if they already + exist. + + Args: + L: truncation level for power series expansion of the pdf. + """ + replace_period = lambda x: str(x).replace(".", "_") + if self.schedule == "linear": + cache_fname = os.path.join( + self.cache_dir, + f"T_{self.T}_omega_{self.num_omega}_min_sigma_{replace_period(self.min_sigma)}" + + f"_min_b_{replace_period(self.min_b)}_max_b_{replace_period(self.max_b)}_schedule_{self.schedule}.pkl", + ) + elif self.schedule == "exponential": + cache_fname = os.path.join( + self.cache_dir, + f"T_{self.T}_omega_{self.num_omega}_min_sigma_{replace_period(self.min_sigma)}" + f"_max_sigma_{replace_period(self.max_sigma)}_schedule_{self.schedule}", + ) + else: + raise ValueError(f"Unrecognize schedule {self.schedule}") + + if not os.path.isdir(self.cache_dir): + os.makedirs(self.cache_dir) + + if os.path.exists(cache_fname): + self._log.info("Using cached IGSO3.") + igso3_vals = read_pkl(cache_fname) + else: + self._log.info("Calculating IGSO3.") + igso3_vals = igso3.calculate_igso3( + num_sigma=self.num_sigma, + min_sigma=self.min_sigma, + max_sigma=self.max_sigma, + num_omega=self.num_omega + ) + write_pkl(cache_fname, igso3_vals) + + return igso3_vals + + @property + def discrete_sigma(self): + return self.igso3_vals["discrete_sigma"] + + def sigma_idx(self, sigma: np.ndarray): + """ + Calculates the index for discretized sigma during IGSO(3) initialization.""" + return np.digitize(sigma, self.discrete_sigma) - 1 + + def t_to_idx(self, t: np.ndarray): + """ + Helper function to go from discrete time index t to corresponding sigma_idx. + + Args: + t: time index (integer between 1 and 200) + """ + continuous_t = t / self.T + return self.sigma_idx(self.sigma(continuous_t)) + + def sigma(self, t: torch.tensor): + """ + Extract \sigma(t) corresponding to chosen sigma schedule. + + Args: + t: torch tensor with time between 0 and 1 + """ + if not type(t) == torch.Tensor: + t = torch.tensor(t) + if torch.any(t < 0) or torch.any(t > 1): + raise ValueError(f"Invalid t={t}") + if self.schedule == "exponential": + sigma = t * np.log10(self.max_sigma) + (1 - t) * np.log10(self.min_sigma) + return 10**sigma + elif self.schedule == "linear": # Variance exploding analogue of Ho schedule + # add self.min_sigma for stability + return ( + self.min_sigma + + t * self.min_b + + (1 / 2) * (t**2) * (self.max_b - self.min_b) + ) + else: + raise ValueError(f"Unrecognize schedule {self.schedule}") + + def g(self, t): + """ + g returns the drift coefficient at time t + + since + sigma(t)^2 := \int_0^t g(s)^2 ds, + for arbitrary sigma(t) we invert this relationship to compute + g(t) = sqrt(d/dt sigma(t)^2). + + Args: + t: scalar time between 0 and 1 + + Returns: + drift cooeficient as a scalar. + """ + t = torch.tensor(t, requires_grad=True) + sigma_sqr = self.sigma(t) ** 2 + grads = torch.autograd.grad(sigma_sqr.sum(), t)[0] + return torch.sqrt(grads) + + def sample(self, ts, n_samples=1): + """ + sample uses the inverse cdf to sample an angle of rotation from + IGSO(3) + + Args: + ts: array of integer time steps to sample from. + n_samples: number of samples to draw. + Returns: + sampled angles of rotation. [len(ts), N] + """ + assert sum(ts == 0) == 0, "assumes one-indexed, not zero indexed" + all_samples = [] + for t in ts: + sigma_idx = self.t_to_idx(t) + sample_i = np.interp( + np.random.rand(n_samples), + self.igso3_vals["cdf"][sigma_idx], + self.igso3_vals["discrete_omega"], + ) # [N, 1] + all_samples.append(sample_i) + return np.stack(all_samples, axis=0) + + def sample_vec(self, ts, n_samples=1): + """sample_vec generates a rotation vector(s) from IGSO(3) at time steps + ts. + + Return: + Sampled vector of shape [len(ts), N, 3] + """ + x = np.random.randn(len(ts), n_samples, 3) + x /= np.linalg.norm(x, axis=-1, keepdims=True) + return x * self.sample(ts, n_samples=n_samples)[..., None] + + def score_norm(self, t, omega): + """ + score_norm computes the score norm based on the time step and angle + Args: + t: integer time step + omega: angles (scalar or shape [N]) + Return: + score_norm with same shape as omega + """ + sigma_idx = self.t_to_idx(t) + score_norm_t = np.interp( + omega, + self.igso3_vals["discrete_omega"], + self.igso3_vals["score_norm"][sigma_idx], + ) + return score_norm_t + + def score_vec(self, ts, vec): + """score_vec computes the score of the IGSO(3) density as a rotation + vector. This score vector is in the direction of the sampled vector, + and has magnitude given by score_norms. + + In particular, Rt @ hat(score_vec(ts, vec)) is what is referred to as + the score approximation in Algorithm 1 + + + Args: + ts: times of shape [T] + vec: where to compute the score of shape [T, N, 3] + Returns: + score vectors of shape [T, N, 3] + """ + omega = np.linalg.norm(vec, axis=-1) + all_score_norm = [] + for i, t in enumerate(ts): + omega_t = omega[i] + t_idx = t - 1 + sigma_idx = self.t_to_idx(t) + score_norm_t = np.interp( + omega_t, + self.igso3_vals["discrete_omega"], + self.igso3_vals["score_norm"][sigma_idx], + )[:, None] + all_score_norm.append(score_norm_t) + score_norm = np.stack(all_score_norm, axis=0) + return score_norm * vec / omega[..., None] + + def exp_score_norm(self, ts): + """exp_score_norm returns the expected value of norm of the score for + IGSO(3) with time parameter ts of shape [T]. + """ + sigma_idcs = [self.t_to_idx(t) for t in ts] + return self.igso3_vals["exp_score_norms"][sigma_idcs] + + def diffuse_frames(self, xyz, t_list, diffusion_mask=None): + """diffuse_frames samples from the IGSO(3) distribution to noise frames + + Parameters: + xyz (np.array or torch.tensor, required): (L,3,3) set of backbone coordinates + mask (np.array or torch.tensor, required): (L,) set of bools. True/1 is NOT diffused, False/0 IS diffused + Returns: + np.array : N/CA/C coordinates for each residue + (T,L,3,3), where T is num timesteps + """ + + if torch.is_tensor(xyz): + xyz = xyz.numpy() + + t = np.arange(self.T) + 1 # 1-indexed!! + num_res = len(xyz) + + N = torch.from_numpy(xyz[None, :, 0, :]) + Ca = torch.from_numpy(xyz[None, :, 1, :]) # [1, num_res, 3, 3] + C = torch.from_numpy(xyz[None, :, 2, :]) + + # scipy rotation object for true coordinates + R_true, Ca = rigid_from_3_points(N, Ca, C) + R_true = R_true[0] + Ca = Ca[0] + + # Sample rotations and scores from IGSO3 + sampled_rots = self.sample_vec(t, n_samples=num_res) # [T, N, 3] + + if diffusion_mask is not None: + non_diffusion_mask = 1 - diffusion_mask[None, :, None] + sampled_rots = sampled_rots * non_diffusion_mask + + # Apply sampled rot. + R_sampled = ( + scipy_R.from_rotvec(sampled_rots.reshape(-1, 3)) + .as_matrix() + .reshape(self.T, num_res, 3, 3) + ) + R_perturbed = np.einsum("tnij,njk->tnik", R_sampled, R_true) + perturbed_crds = ( + np.einsum( + "tnij,naj->tnai", R_sampled, xyz[:, :3, :] - Ca[:, None, ...].numpy() + ) + + Ca[None, :, None].numpy() + ) + + if t_list != None: + idx = [i - 1 for i in t_list] + perturbed_crds = perturbed_crds[idx] + R_perturbed = R_perturbed[idx] + + return ( + perturbed_crds.transpose(1, 0, 2, 3), # [L, T, 3, 3] + R_perturbed.transpose(1, 0, 2, 3), + ) + + def reverse_sample_vectorized( + self, R_t, R_0, t, noise_level, mask=None, return_perturb=False + ): + """reverse_sample uses an approximation to the IGSO3 score to sample + a rotation at the previous time step. + + Roughly - this update follows the reverse time SDE for Reimannian + manifolds proposed by de Bortoli et al. Theorem 1 [1]. But with an + approximation to the score based on the prediction of R0. + Unlike in reference [1], this diffusion on SO(3) relies on geometric + variance schedule. Specifically we follow [2] (appendix C) and assume + sigma_t = sigma_min * (sigma_max / sigma_min)^{t/T}, + for time step t. When we view this as a discretization of the SDE + from time 0 to 1 with step size (1/T). Following Eq. 5 and Eq. 6, + this maps on to the forward time SDEs + dx = g(t) dBt [FORWARD] + and + dx = g(t)^2 score(xt, t)dt + g(t) B't, [REVERSE] + where g(t) = sigma_t * sqrt(2 * log(sigma_max/ sigma_min)), and Bt and + B't are Brownian motions. The formula for g(t) obtains from equation 9 + of [2], from which this sampling function may be generalized to + alternative noising schedules. + Args: + R_t: noisy rotation of shape [N, 3, 3] + R_0: prediction of un-noised rotation + t: integer time step + noise_level: scaling on the noise added when obtaining sample + (preliminary performance seems empirically better with noise + level=0.5) + mask: whether the residue is to be updated. A value of 1 means the + rotation is not updated from r_t. A value of 0 means the + rotation is updated. + Return: + sampled rotation matrix for time t-1 of shape [3, 3] + Reference: + [1] De Bortoli, V., Mathieu, E., Hutchinson, M., Thornton, J., Teh, Y. + W., & Doucet, A. (2022). Riemannian score-based generative modeling. + arXiv preprint arXiv:2202.02763. + [2] Song, Y., Sohl-Dickstein, J., Kingma, D. P., Kumar, A., Ermon, S., + & Poole, B. (2020). Score-based generative modeling through stochastic + differential equations. arXiv preprint arXiv:2011.13456. + """ + # compute rotation vector corresponding to prediction of how r_t goes to r_0 + R_0, R_t = torch.tensor(R_0), torch.tensor(R_t) + R_0t = torch.einsum("...ij,...kj->...ik", R_t, R_0) + R_0t_rotvec = torch.tensor( + scipy_R.from_matrix(R_0t.cpu().numpy()).as_rotvec() + ).to(R_0.device) + + # Approximate the score based on the prediction of R0. + # R_t @ hat(Score_approx) is the score approximation in the Lie algebra + # SO(3) (i.e. the output of Algorithm 1) + Omega = torch.linalg.norm(R_0t_rotvec, axis=-1).numpy() + Score_approx = R_0t_rotvec * (self.score_norm(t, Omega) / Omega)[:, None] + + # Compute scaling for score and sampled noise (following Eq 6 of [2]) + continuous_t = t / self.T + rot_g = self.g(continuous_t).to(Score_approx.device) + + # Sample and scale noise to add to the rotation perturbation in the + # SO(3) tangent space. Since IG-SO(3) is the Brownian motion on SO(3) + # (up to a deceleration of time by a factor of two), for small enough + # time-steps, this is equivalent to perturbing r_t with IG-SO(3) noise. + # See e.g. Algorithm 1 of De Bortoli et al. + Z = np.random.normal(size=(R_0.shape[0], 3)) + Z = torch.from_numpy(Z).to(Score_approx.device) + Z *= noise_level + + Delta_r = (rot_g**2) * self.step_size * Score_approx + + # Sample perturbation from discretized SDE (following eq. 6 of [2]), + # This approximate sampling from IGSO3(* ; Delta_r, rot_g^2 * + # self.step_size) with tangent Gaussian. + Perturb_tangent = Delta_r + rot_g * np.sqrt(self.step_size) * Z + if mask is not None: + Perturb_tangent *= (1 - mask.long())[:, None, None] + Perturb = igso3.Exp(Perturb_tangent) + + if return_perturb: + return Perturb + + Interp_rot = torch.einsum("...ij,...jk->...ik", Perturb, R_t) + + return Interp_rot + + +class Diffuser: + # wrapper for yielding diffused coordinates + + def __init__( + self, + T, + b_0, + b_T, + min_sigma, + max_sigma, + min_b, + max_b, + schedule_type, + so3_schedule_type, + so3_type, + crd_scale, + schedule_kwargs={}, + var_scale=1.0, + cache_dir=".", + partial_T=None, + truncation_level=2000, + ): + """ + Parameters: + + T (int, required): Number of steps in the schedule + + b_0 (float, required): Starting variance for Euclidean schedule + + b_T (float, required): Ending variance for Euclidean schedule + + """ + self.T = T + self.b_0 = b_0 + self.b_T = b_T + self.min_sigma = min_sigma + self.max_sigma = max_sigma + self.crd_scale = crd_scale + self.var_scale = var_scale + self.cache_dir = cache_dir + + # get backbone frame diffuser + self.so3_diffuser = IGSO3( + T=self.T, + min_sigma=self.min_sigma, + max_sigma=self.max_sigma, + schedule=so3_schedule_type, + min_b=min_b, + max_b=max_b, + cache_dir=self.cache_dir, + L=truncation_level, + ) + + # get backbone translation diffuser + self.eucl_diffuser = EuclideanDiffuser( + self.T, b_0, b_T, schedule_type=schedule_type, **schedule_kwargs + ) + + print("Successful diffuser __init__") + + def diffuse_pose( + self, + xyz, + seq, + atom_mask, + include_motif_sidechains=True, + diffusion_mask=None, + t_list=None, + ): + """ + Given full atom xyz, sequence and atom mask, diffuse the protein frame + translations and rotations + + Parameters: + + xyz (L,14/27,3) set of coordinates + + seq (L,) integer sequence + + atom_mask: mask describing presence/absence of an atom in pdb + + diffusion_mask (torch.tensor, optional): Tensor of bools, True means NOT diffused at this residue, False means diffused + + t_list (list, optional): If present, only return the diffused coordinates at timesteps t within the list + + + """ + + if diffusion_mask is None: + diffusion_mask = torch.zeros(len(xyz.squeeze())).to(dtype=bool) + + get_allatom = ComputeAllAtomCoords().to(device=xyz.device) + L = len(xyz) + + # bring to origin and scale + # check if any BB atoms are nan before centering + nan_mask = ~torch.isnan(xyz.squeeze()[:, :3]).any(dim=-1).any(dim=-1) + assert torch.sum(~nan_mask) == 0 + + # Centre unmasked structure at origin, as in training (to prevent information leak) + if torch.sum(diffusion_mask) != 0: + self.motif_com = xyz[diffusion_mask, 1, :].mean( + dim=0 + ) # This is needed for one of the potentials + xyz = xyz - self.motif_com + elif torch.sum(diffusion_mask) == 0: + xyz = xyz - xyz[:, 1, :].mean(dim=0) + + xyz_true = torch.clone(xyz) + xyz = xyz * self.crd_scale + + # 1 get translations + tick = time.time() + diffused_T, deltas = self.eucl_diffuser.diffuse_translations( + xyz[:, :3, :].clone(), diffusion_mask=diffusion_mask + ) + # print('Time to diffuse coordinates: ',time.time()-tick) + diffused_T /= self.crd_scale + deltas /= self.crd_scale + + # 2 get frames + tick = time.time() + diffused_frame_crds, diffused_frames = self.so3_diffuser.diffuse_frames( + xyz[:, :3, :].clone(), diffusion_mask=diffusion_mask.numpy(), t_list=None + ) + diffused_frame_crds /= self.crd_scale + # print('Time to diffuse frames: ',time.time()-tick) + + ##### Now combine all the diffused quantities to make full atom diffused poses + tick = time.time() + cum_delta = deltas.cumsum(dim=1) + # The coordinates of the translated AND rotated frames + diffused_BB = ( + torch.from_numpy(diffused_frame_crds) + cum_delta[:, :, None, :] + ).transpose( + 0, 1 + ) # [n,L,3,3] + # diffused_BB = torch.from_numpy(diffused_frame_crds).transpose(0,1) + + # diffused_BB is [t_steps,L,3,3] + t_steps, L = diffused_BB.shape[:2] + + diffused_fa = torch.zeros(t_steps, L, 27, 3) + diffused_fa[:, :, :3, :] = diffused_BB + + # Add in sidechains from motif + if include_motif_sidechains: + diffused_fa[:, diffusion_mask, :14, :] = xyz_true[None, diffusion_mask, :14] + + if t_list is None: + fa_stack = diffused_fa + else: + t_idx_list = [t - 1 for t in t_list] + fa_stack = diffused_fa[t_idx_list] + + return fa_stack, xyz_true diff --git a/RFdiffusion/rfdiffusion/igso3.py b/RFdiffusion/rfdiffusion/igso3.py new file mode 100644 index 0000000000000000000000000000000000000000..6d90bdb21bbef0cfa443f2b6641031fef076cb22 --- /dev/null +++ b/RFdiffusion/rfdiffusion/igso3.py @@ -0,0 +1,118 @@ +"""SO(3) diffusion methods.""" +import numpy as np +import os +from functools import cached_property +import torch +from scipy.spatial.transform import Rotation +import scipy.linalg + + +### First define geometric operations on the SO3 manifold + +# hat map from vector space R^3 to Lie algebra so(3) +def hat(v): + hat_v = torch.zeros([v.shape[0], 3, 3]) + hat_v[:, 0, 1], hat_v[:, 0, 2], hat_v[:, 1, 2] = -v[:, 2], v[:, 1], -v[:, 0] + return hat_v + -hat_v.transpose(2, 1) + +# Logarithmic map from SO(3) to R^3 (i.e. rotation vector) +def Log(R): return torch.tensor(Rotation.from_matrix(R.numpy()).as_rotvec()) + +# logarithmic map from SO(3) to so(3), this is the matrix logarithm +def log(R): return hat(Log(R)) + +# Exponential map from vector space of so(3) to SO(3), this is the matrix +# exponential combined with the "hat" map +def Exp(A): return torch.tensor(Rotation.from_rotvec(A.numpy()).as_matrix()) + +# Angle of rotation SO(3) to R^+ +def Omega(R): return np.linalg.norm(log(R), axis=[-2, -1])/np.sqrt(2.) + +L_default = 2000 +def f_igso3(omega, t, L=L_default): + """Truncated sum of IGSO(3) distribution. + + This function approximates the power series in equation 5 of + "DENOISING DIFFUSION PROBABILISTIC MODELS ON SO(3) FOR ROTATIONAL + ALIGNMENT" + Leach et al. 2022 + + This expression diverges from the expression in Leach in that here, sigma = + sqrt(2) * eps, if eps_leach were the scale parameter of the IGSO(3). + + With this reparameterization, IGSO(3) agrees with the Brownian motion on + SO(3) with t=sigma^2 when defined for the canonical inner product on SO3, + _SO3 = Trace(u v^T)/2 + + Args: + omega: i.e. the angle of rotation associated with rotation matrix + t: variance parameter of IGSO(3), maps onto time in Brownian motion + L: Truncation level + """ + ls = torch.arange(L)[None] # of shape [1, L] + return ((2*ls + 1) * torch.exp(-ls*(ls+1)*t/2) * + torch.sin(omega[:, None]*(ls+1/2)) / torch.sin(omega[:, None]/2)).sum(dim=-1) + +def d_logf_d_omega(omega, t, L=L_default): + omega = torch.tensor(omega, requires_grad=True) + log_f = torch.log(f_igso3(omega, t, L)) + return torch.autograd.grad(log_f.sum(), omega)[0].numpy() + +# IGSO3 density with respect to the volume form on SO(3) +def igso3_density(Rt, t, L=L_default): + return f_igso3(torch.tensor(Omega(Rt)), t, L).numpy() + +def igso3_density_angle(omega, t, L=L_default): + return f_igso3(torch.tensor(omega), t, L).numpy()*(1-np.cos(omega))/np.pi + +# grad_R log IGSO3(R; I_3, t) +def igso3_score(R, t, L=L_default): + omega = Omega(R) + unit_vector = np.einsum('Nij,Njk->Nik', R, log(R))/omega[:, None, None] + return unit_vector * d_logf_d_omega(omega, t, L)[:, None, None] + +def calculate_igso3(*, num_sigma, num_omega, min_sigma, max_sigma): + """calculate_igso3 pre-computes numerical approximations to the IGSO3 cdfs + and score norms and expected squared score norms. + + Args: + num_sigma: number of different sigmas for which to compute igso3 + quantities. + num_omega: number of point in the discretization in the angle of + rotation. + min_sigma, max_sigma: the upper and lower ranges for the angle of + rotation on which to consider the IGSO3 distribution. This cannot + be too low or it will create numerical instability. + """ + # Discretize omegas for calculating CDFs. Skip omega=0. + discrete_omega = np.linspace(0, np.pi, num_omega+1)[1:] + + # Exponential noise schedule. This choice is closely tied to the + # scalings used when simulating the reverse time SDE. For each step n, + # discrete_sigma[n] = min_eps^(1-n/num_eps) * max_eps^(n/num_eps) + discrete_sigma = 10 ** np.linspace(np.log10(min_sigma), np.log10(max_sigma), num_sigma + 1)[1:] + + # Compute the pdf and cdf values for the marginal distribution of the angle + # of rotation (which is needed for sampling) + pdf_vals = np.asarray( + [igso3_density_angle(discrete_omega, sigma**2) for sigma in discrete_sigma]) + cdf_vals = np.asarray( + [pdf.cumsum() / num_omega * np.pi for pdf in pdf_vals]) + + # Compute the norms of the scores. This are used to scale the rotation axis when + # computing the score as a vector. + score_norm = np.asarray( + [d_logf_d_omega(discrete_omega, sigma**2) for sigma in discrete_sigma]) + + # Compute the standard deviation of the score norm for each sigma + exp_score_norms = np.sqrt( + np.sum( + score_norm**2 * pdf_vals, axis=1) / np.sum( + pdf_vals, axis=1)) + return { + 'cdf': cdf_vals, + 'score_norm': score_norm, + 'exp_score_norms': exp_score_norms, + 'discrete_omega': discrete_omega, + 'discrete_sigma': discrete_sigma, + } diff --git a/RFdiffusion/rfdiffusion/inference/__init__.py b/RFdiffusion/rfdiffusion/inference/__init__.py new file mode 100644 index 0000000000000000000000000000000000000000..e69de29bb2d1d6434b8b29ae775ad8c2e48c5391 diff --git a/RFdiffusion/rfdiffusion/inference/__pycache__/__init__.cpython-310.pyc b/RFdiffusion/rfdiffusion/inference/__pycache__/__init__.cpython-310.pyc new file mode 100644 index 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import Diffuser +from rfdiffusion.chemical import seq2chars +from rfdiffusion.util_module import ComputeAllAtomCoords +from rfdiffusion.contigs import ContigMap +from rfdiffusion.inference import utils as iu, symmetry +from rfdiffusion.potentials.manager import PotentialManager +import logging +import torch.nn.functional as nn +from rfdiffusion import util +from hydra.core.hydra_config import HydraConfig +import os + +from rfdiffusion.model_input_logger import pickle_function_call +import sys + +SCRIPT_DIR=os.path.dirname(os.path.realpath(__file__)) + +TOR_INDICES = util.torsion_indices +TOR_CAN_FLIP = util.torsion_can_flip +REF_ANGLES = util.reference_angles + + +class Sampler: + + def __init__(self, conf: DictConfig): + """ + Initialize sampler. + Args: + conf: Configuration. + """ + self.initialized = False + self.initialize(conf) + + def initialize(self, conf: DictConfig) -> None: + """ + Initialize sampler. + Args: + conf: Configuration + + - Selects appropriate model from input + - Assembles Config from model checkpoint and command line overrides + + """ + self._log = logging.getLogger(__name__) + if torch.cuda.is_available(): + self.device = torch.device('cuda') + else: + self.device = torch.device('cpu') + needs_model_reload = not self.initialized or conf.inference.ckpt_override_path != self._conf.inference.ckpt_override_path + + # Assign config to Sampler + self._conf = conf + + ################################ + ### Select Appropriate Model ### + ################################ + + if conf.inference.model_directory_path is not None: + model_directory = conf.inference.model_directory_path + else: + model_directory = f"{SCRIPT_DIR}/../../models" + + print(f"Reading models from {model_directory}") + + # Initialize inference only helper objects to Sampler + if conf.inference.ckpt_override_path is not None: + self.ckpt_path = conf.inference.ckpt_override_path + print("WARNING: You're overriding the checkpoint path from the defaults. Check that the model you're providing can run with the inputs you're providing.") + else: + if conf.contigmap.inpaint_seq is not None or conf.contigmap.provide_seq is not None: + # use model trained for inpaint_seq + if conf.contigmap.provide_seq is not None: + # this is only used for partial diffusion + assert conf.diffuser.partial_T is not None, "The provide_seq input is specifically for partial diffusion" + if conf.scaffoldguided.scaffoldguided: + self.ckpt_path = f'{model_directory}/InpaintSeq_Fold_ckpt.pt' + else: + self.ckpt_path = f'{model_directory}/InpaintSeq_ckpt.pt' + elif conf.ppi.hotspot_res is not None and conf.scaffoldguided.scaffoldguided is False: + # use complex trained model + self.ckpt_path = f'{model_directory}/Complex_base_ckpt.pt' + elif conf.scaffoldguided.scaffoldguided is True: + # use complex and secondary structure-guided model + self.ckpt_path = f'{model_directory}/Complex_Fold_base_ckpt.pt' + else: + # use default model + self.ckpt_path = f'{model_directory}/Base_ckpt.pt' + # for saving in trb file: + assert self._conf.inference.trb_save_ckpt_path is None, "trb_save_ckpt_path is not the place to specify an input model. Specify in inference.ckpt_override_path" + self._conf['inference']['trb_save_ckpt_path']=self.ckpt_path + + ####################### + ### Assemble Config ### + ####################### + + if needs_model_reload: + # Load checkpoint, so that we can assemble the config + self.load_checkpoint() + self.assemble_config_from_chk() + # Now actually load the model weights into RF + self.model = self.load_model() + else: + self.assemble_config_from_chk() + + # self.initialize_sampler(conf) + self.initialized=True + + # Initialize helper objects + self.inf_conf = self._conf.inference + self.contig_conf = self._conf.contigmap + self.denoiser_conf = self._conf.denoiser + self.ppi_conf = self._conf.ppi + self.potential_conf = self._conf.potentials + self.diffuser_conf = self._conf.diffuser + self.preprocess_conf = self._conf.preprocess + + if conf.inference.schedule_directory_path is not None: + schedule_directory = conf.inference.schedule_directory_path + else: + schedule_directory = f"{SCRIPT_DIR}/../../schedules" + + # Check for cache schedule + if not os.path.exists(schedule_directory): + os.mkdir(schedule_directory) + self.diffuser = Diffuser(**self._conf.diffuser, cache_dir=schedule_directory) + + ########################### + ### Initialise Symmetry ### + ########################### + + if self.inf_conf.symmetry is not None: + self.symmetry = symmetry.SymGen( + self.inf_conf.symmetry, + self.inf_conf.recenter, + self.inf_conf.radius, + self.inf_conf.model_only_neighbors, + ) + else: + self.symmetry = None + + self.allatom = ComputeAllAtomCoords().to(self.device) + + if self.inf_conf.input_pdb is None: + # set default pdb + script_dir=os.path.dirname(os.path.realpath(__file__)) + self.inf_conf.input_pdb=os.path.join(script_dir, '../../examples/input_pdbs/1qys.pdb') + self.target_feats = iu.process_target(self.inf_conf.input_pdb, parse_hetatom=True, center=False) + self.chain_idx = None + + ############################## + ### Handle Partial Noising ### + ############################## + + if self.diffuser_conf.partial_T: + assert self.diffuser_conf.partial_T <= self.diffuser_conf.T + self.t_step_input = int(self.diffuser_conf.partial_T) + else: + self.t_step_input = int(self.diffuser_conf.T) + + @property + def T(self): + ''' + Return the maximum number of timesteps + that this design protocol will perform. + + Output: + T (int): The maximum number of timesteps to perform + ''' + return self.diffuser_conf.T + + def load_checkpoint(self) -> None: + """Loads RF checkpoint, from which config can be generated.""" + self._log.info(f'Reading checkpoint from {self.ckpt_path}') + print('This is inf_conf.ckpt_path') + print(self.ckpt_path) + self.ckpt = torch.load( + self.ckpt_path, map_location=self.device) + + def assemble_config_from_chk(self) -> None: + """ + Function for loading model config from checkpoint directly. + + Takes: + - config file + + Actions: + - Replaces all -model and -diffuser items + - Throws a warning if there are items in -model and -diffuser that aren't in the checkpoint + + This throws an error if there is a flag in the checkpoint 'config_dict' that isn't in the inference config. + This should ensure that whenever a feature is added in the training setup, it is accounted for in the inference script. + + """ + # get overrides to re-apply after building the config from the checkpoint + overrides = [] + if HydraConfig.initialized(): + overrides = HydraConfig.get().overrides.task + print("Assembling -model, -diffuser and -preprocess configs from checkpoint") + + for cat in ['model','diffuser','preprocess']: + for key in self._conf[cat]: + try: + print(f"USING MODEL CONFIG: self._conf[{cat}][{key}] = {self.ckpt['config_dict'][cat][key]}") + self._conf[cat][key] = self.ckpt['config_dict'][cat][key] + except: + pass + + # add overrides back in again + for override in overrides: + if override.split(".")[0] in ['model','diffuser','preprocess']: + print(f'WARNING: You are changing {override.split("=")[0]} from the value this model was trained with. Are you sure you know what you are doing?') + mytype = type(self._conf[override.split(".")[0]][override.split(".")[1].split("=")[0]]) + self._conf[override.split(".")[0]][override.split(".")[1].split("=")[0]] = mytype(override.split("=")[1]) + + def load_model(self): + """Create RosettaFold model from preloaded checkpoint.""" + + # Read input dimensions from checkpoint. + self.d_t1d=self._conf.preprocess.d_t1d + self.d_t2d=self._conf.preprocess.d_t2d + model = RoseTTAFoldModule(**self._conf.model, d_t1d=self.d_t1d, d_t2d=self.d_t2d, T=self._conf.diffuser.T).to(self.device) + if self._conf.logging.inputs: + pickle_dir = pickle_function_call(model, 'forward', 'inference') + print(f'pickle_dir: {pickle_dir}') + model = model.eval() + self._log.info(f'Loading checkpoint.') + model.load_state_dict(self.ckpt['model_state_dict'], strict=True) + return model + + def construct_contig(self, target_feats): + """ + Construct contig class describing the protein to be generated + """ + self._log.info(f'Using contig: {self.contig_conf.contigs}') + return ContigMap(target_feats, **self.contig_conf) + + def construct_denoiser(self, L, visible): + """Make length-specific denoiser.""" + denoise_kwargs = OmegaConf.to_container(self.diffuser_conf) + denoise_kwargs.update(OmegaConf.to_container(self.denoiser_conf)) + denoise_kwargs.update({ + 'L': L, + 'diffuser': self.diffuser, + 'potential_manager': self.potential_manager, + }) + return iu.Denoise(**denoise_kwargs) + + def sample_init(self, return_forward_trajectory=False): + """ + Initial features to start the sampling process. + + Modify signature and function body for different initialization + based on the config. + + Returns: + xt: Starting positions with a portion of them randomly sampled. + seq_t: Starting sequence with a portion of them set to unknown. + """ + + ####################### + ### Parse input pdb ### + ####################### + + self.target_feats = iu.process_target(self.inf_conf.input_pdb, parse_hetatom=True, center=False) + + ################################ + ### Generate specific contig ### + ################################ + + # Generate a specific contig from the range of possibilities specified at input + + self.contig_map = self.construct_contig(self.target_feats) + self.mappings = self.contig_map.get_mappings() + self.mask_seq = torch.from_numpy(self.contig_map.inpaint_seq)[None,:] + self.mask_str = torch.from_numpy(self.contig_map.inpaint_str)[None,:] + self.binderlen = len(self.contig_map.inpaint) + + #################### + ### Get Hotspots ### + #################### + + self.hotspot_0idx=iu.get_idx0_hotspots(self.mappings, self.ppi_conf, self.binderlen) + + + ##################################### + ### Initialise Potentials Manager ### + ##################################### + + self.potential_manager = PotentialManager(self.potential_conf, + self.ppi_conf, + self.diffuser_conf, + self.inf_conf, + self.hotspot_0idx, + self.binderlen) + + ################################### + ### Initialize other attributes ### + ################################### + + xyz_27 = self.target_feats['xyz_27'] + mask_27 = self.target_feats['mask_27'] + seq_orig = self.target_feats['seq'].long() + L_mapped = len(self.contig_map.ref) + contig_map=self.contig_map + + self.diffusion_mask = self.mask_str + self.chain_idx=['A' if i < self.binderlen else 'B' for i in range(L_mapped)] + + #################################### + ### Generate initial coordinates ### + #################################### + + if self.diffuser_conf.partial_T: + assert xyz_27.shape[0] == L_mapped, f"there must be a coordinate in the input PDB for \ + each residue implied by the contig string for partial diffusion. length of \ + input PDB != length of contig string: {xyz_27.shape[0]} != {L_mapped}" + assert contig_map.hal_idx0 == contig_map.ref_idx0, f'for partial diffusion there can \ + be no offset between the index of a residue in the input and the index of the \ + residue in the output, {contig_map.hal_idx0} != {contig_map.ref_idx0}' + # Partially diffusing from a known structure + xyz_mapped=xyz_27 + atom_mask_mapped = mask_27 + else: + # Fully diffusing from points initialised at the origin + # adjust size of input xt according to residue map + xyz_mapped = torch.full((1,1,L_mapped,27,3), np.nan) + xyz_mapped[:, :, contig_map.hal_idx0, ...] = xyz_27[contig_map.ref_idx0,...] + xyz_motif_prealign = xyz_mapped.clone() + motif_prealign_com = xyz_motif_prealign[0,0,:,1].mean(dim=0) + self.motif_com = xyz_27[contig_map.ref_idx0,1].mean(dim=0) + xyz_mapped = get_init_xyz(xyz_mapped).squeeze() + # adjust the size of the input atom map + atom_mask_mapped = torch.full((L_mapped, 27), False) + atom_mask_mapped[contig_map.hal_idx0] = mask_27[contig_map.ref_idx0] + + # Diffuse the contig-mapped coordinates + if self.diffuser_conf.partial_T: + assert self.diffuser_conf.partial_T <= self.diffuser_conf.T, "Partial_T must be less than T" + self.t_step_input = int(self.diffuser_conf.partial_T) + else: + self.t_step_input = int(self.diffuser_conf.T) + t_list = np.arange(1, self.t_step_input+1) + + ################################# + ### Generate initial sequence ### + ################################# + + seq_t = torch.full((1,L_mapped), 21).squeeze() # 21 is the mask token + seq_t[contig_map.hal_idx0] = seq_orig[contig_map.ref_idx0] + + # Unmask sequence if desired + if self._conf.contigmap.provide_seq is not None: + seq_t[self.mask_seq.squeeze()] = seq_orig[self.mask_seq.squeeze()] + + seq_t[~self.mask_seq.squeeze()] = 21 + seq_t = torch.nn.functional.one_hot(seq_t, num_classes=22).float() # [L,22] + seq_orig = torch.nn.functional.one_hot(seq_orig, num_classes=22).float() # [L,22] + + fa_stack, xyz_true = self.diffuser.diffuse_pose( + xyz_mapped, + torch.clone(seq_t), + atom_mask_mapped.squeeze(), + diffusion_mask=self.diffusion_mask.squeeze(), + t_list=t_list) + xT = fa_stack[-1].squeeze()[:,:14,:] + xt = torch.clone(xT) + + self.denoiser = self.construct_denoiser(len(self.contig_map.ref), visible=self.mask_seq.squeeze()) + + ###################### + ### Apply Symmetry ### + ###################### + + if self.symmetry is not None: + xt, seq_t = self.symmetry.apply_symmetry(xt, seq_t) + self._log.info(f'Sequence init: {seq2chars(torch.argmax(seq_t, dim=-1))}') + + self.msa_prev = None + self.pair_prev = None + self.state_prev = None + + ######################################### + ### Parse ligand for ligand potential ### + ######################################### + + if self.potential_conf.guiding_potentials is not None: + if any(list(filter(lambda x: "substrate_contacts" in x, self.potential_conf.guiding_potentials))): + assert len(self.target_feats['xyz_het']) > 0, "If you're using the Substrate Contact potential, \ + you need to make sure there's a ligand in the input_pdb file!" + het_names = np.array([i['name'].strip() for i in self.target_feats['info_het']]) + xyz_het = self.target_feats['xyz_het'][het_names == self._conf.potentials.substrate] + xyz_het = torch.from_numpy(xyz_het) + assert xyz_het.shape[0] > 0, f'expected >0 heteroatoms from ligand with name {self._conf.potentials.substrate}' + xyz_motif_prealign = xyz_motif_prealign[0,0][self.diffusion_mask.squeeze()] + motif_prealign_com = xyz_motif_prealign[:,1].mean(dim=0) + xyz_het_com = xyz_het.mean(dim=0) + for pot in self.potential_manager.potentials_to_apply: + pot.motif_substrate_atoms = xyz_het + pot.diffusion_mask = self.diffusion_mask.squeeze() + pot.xyz_motif = xyz_motif_prealign + pot.diffuser = self.diffuser + return xt, seq_t + + def _preprocess(self, seq, xyz_t, t, repack=False): + + """ + Function to prepare inputs to diffusion model + + seq (L,22) one-hot sequence + + msa_masked (1,1,L,48) + + msa_full (1,1,L,25) + + xyz_t (L,14,3) template crds (diffused) + + t1d (1,L,28) this is the t1d before tacking on the chi angles: + - seq + unknown/mask (21) + - global timestep (1-t/T if not motif else 1) (1) + + MODEL SPECIFIC: + - contacting residues: for ppi. Target residues in contact with binder (1) + - empty feature (legacy) (1) + - ss (H, E, L, MASK) (4) + + t2d (1, L, L, 45) + - last plane is block adjacency + """ + + L = seq.shape[0] + T = self.T + binderlen = self.binderlen + target_res = self.ppi_conf.hotspot_res + + ################## + ### msa_masked ### + ################## + msa_masked = torch.zeros((1,1,L,48)) + msa_masked[:,:,:,:22] = seq[None, None] + msa_masked[:,:,:,22:44] = seq[None, None] + msa_masked[:,:,0,46] = 1.0 + msa_masked[:,:,-1,47] = 1.0 + + ################ + ### msa_full ### + ################ + msa_full = torch.zeros((1,1,L,25)) + msa_full[:,:,:,:22] = seq[None, None] + msa_full[:,:,0,23] = 1.0 + msa_full[:,:,-1,24] = 1.0 + + ########### + ### t1d ### + ########### + + # Here we need to go from one hot with 22 classes to one hot with 21 classes (last plane is missing token) + t1d = torch.zeros((1,1,L,21)) + + seqt1d = torch.clone(seq) + for idx in range(L): + if seqt1d[idx,21] == 1: + seqt1d[idx,20] = 1 + seqt1d[idx,21] = 0 + + t1d[:,:,:,:21] = seqt1d[None,None,:,:21] + + + # Set timestep feature to 1 where diffusion mask is True, else 1-t/T + timefeature = torch.zeros((L)).float() + timefeature[self.mask_str.squeeze()] = 1 + timefeature[~self.mask_str.squeeze()] = 1 - t/self.T + timefeature = timefeature[None,None,...,None] + + t1d = torch.cat((t1d, timefeature), dim=-1).float() + + ############# + ### xyz_t ### + ############# + if self.preprocess_conf.sidechain_input: + xyz_t[torch.where(seq == 21, True, False),3:,:] = float('nan') + else: + xyz_t[~self.mask_str.squeeze(),3:,:] = float('nan') + + xyz_t=xyz_t[None, None] + xyz_t = torch.cat((xyz_t, torch.full((1,1,L,13,3), float('nan'))), dim=3) + + ########### + ### t2d ### + ########### + t2d = xyz_to_t2d(xyz_t) + + ########### + ### idx ### + ########### + idx = torch.tensor(self.contig_map.rf)[None] + + ############### + ### alpha_t ### + ############### + seq_tmp = t1d[...,:-1].argmax(dim=-1).reshape(-1,L) + alpha, _, alpha_mask, _ = util.get_torsions(xyz_t.reshape(-1, L, 27, 3), seq_tmp, TOR_INDICES, TOR_CAN_FLIP, REF_ANGLES) + alpha_mask = torch.logical_and(alpha_mask, ~torch.isnan(alpha[...,0])) + alpha[torch.isnan(alpha)] = 0.0 + alpha = alpha.reshape(1,-1,L,10,2) + alpha_mask = alpha_mask.reshape(1,-1,L,10,1) + alpha_t = torch.cat((alpha, alpha_mask), dim=-1).reshape(1, -1, L, 30) + + #put tensors on device + msa_masked = msa_masked.to(self.device) + msa_full = msa_full.to(self.device) + seq = seq.to(self.device) + xyz_t = xyz_t.to(self.device) + idx = idx.to(self.device) + t1d = t1d.to(self.device) + t2d = t2d.to(self.device) + alpha_t = alpha_t.to(self.device) + + ###################### + ### added_features ### + ###################### + if self.preprocess_conf.d_t1d >= 24: # add hotspot residues + hotspot_tens = torch.zeros(L).float() + if self.ppi_conf.hotspot_res is None: + print("WARNING: you're using a model trained on complexes and hotspot residues, without specifying hotspots.\ + If you're doing monomer diffusion this is fine") + hotspot_idx=[] + else: + hotspots = [(i[0],int(i[1:])) for i in self.ppi_conf.hotspot_res] + hotspot_idx=[] + for i,res in enumerate(self.contig_map.con_ref_pdb_idx): + if res in hotspots: + hotspot_idx.append(self.contig_map.hal_idx0[i]) + hotspot_tens[hotspot_idx] = 1.0 + + # Add blank (legacy) feature and hotspot tensor + t1d=torch.cat((t1d, torch.zeros_like(t1d[...,:1]), hotspot_tens[None,None,...,None].to(self.device)), dim=-1) + + return msa_masked, msa_full, seq[None], torch.squeeze(xyz_t, dim=0), idx, t1d, t2d, xyz_t, alpha_t + + def sample_step(self, *, t, x_t, seq_init, final_step): + '''Generate the next pose that the model should be supplied at timestep t-1. + + Args: + t (int): The timestep that has just been predicted + seq_t (torch.tensor): (L,22) The sequence at the beginning of this timestep + x_t (torch.tensor): (L,14,3) The residue positions at the beginning of this timestep + seq_init (torch.tensor): (L,22) The initialized sequence used in updating the sequence. + + Returns: + px0: (L,14,3) The model's prediction of x0. + x_t_1: (L,14,3) The updated positions of the next step. + seq_t_1: (L,22) The updated sequence of the next step. + tors_t_1: (L, ?) The updated torsion angles of the next step. + plddt: (L, 1) Predicted lDDT of x0. + ''' + msa_masked, msa_full, seq_in, xt_in, idx_pdb, t1d, t2d, xyz_t, alpha_t = self._preprocess( + seq_init, x_t, t) + + N,L = msa_masked.shape[:2] + + if self.symmetry is not None: + idx_pdb, self.chain_idx = self.symmetry.res_idx_procesing(res_idx=idx_pdb) + + msa_prev = None + pair_prev = None + state_prev = None + + with torch.no_grad(): + msa_prev, pair_prev, px0, state_prev, alpha, logits, plddt = self.model(msa_masked, + msa_full, + seq_in, + xt_in, + idx_pdb, + t1d=t1d, + t2d=t2d, + xyz_t=xyz_t, + alpha_t=alpha_t, + msa_prev = msa_prev, + pair_prev = pair_prev, + state_prev = state_prev, + t=torch.tensor(t), + return_infer=True, + motif_mask=self.diffusion_mask.squeeze().to(self.device)) + + # prediction of X0 + _, px0 = self.allatom(torch.argmax(seq_in, dim=-1), px0, alpha) + px0 = px0.squeeze()[:,:14] + + ##################### + ### Get next pose ### + ##################### + + if t > final_step: + seq_t_1 = nn.one_hot(seq_init,num_classes=22).to(self.device) + x_t_1, px0 = self.denoiser.get_next_pose( + xt=x_t, + px0=px0, + t=t, + diffusion_mask=self.mask_str.squeeze(), + align_motif=self.inf_conf.align_motif + ) + else: + x_t_1 = torch.clone(px0).to(x_t.device) + seq_t_1 = torch.clone(seq_init) + px0 = px0.to(x_t.device) + + if self.symmetry is not None: + x_t_1, seq_t_1 = self.symmetry.apply_symmetry(x_t_1, seq_t_1) + + return px0, x_t_1, seq_t_1, plddt + + +class SelfConditioning(Sampler): + """ + Model Runner for self conditioning + pX0[t+1] is provided as a template input to the model at time t + """ + + def sample_step(self, *, t, x_t, seq_init, final_step): + ''' + Generate the next pose that the model should be supplied at timestep t-1. + Args: + t (int): The timestep that has just been predicted + seq_t (torch.tensor): (L,22) The sequence at the beginning of this timestep + x_t (torch.tensor): (L,14,3) The residue positions at the beginning of this timestep + seq_init (torch.tensor): (L,22) The initialized sequence used in updating the sequence. + Returns: + px0: (L,14,3) The model's prediction of x0. + x_t_1: (L,14,3) The updated positions of the next step. + seq_t_1: (L) The sequence to the next step (== seq_init) + plddt: (L, 1) Predicted lDDT of x0. + ''' + + msa_masked, msa_full, seq_in, xt_in, idx_pdb, t1d, t2d, xyz_t, alpha_t = self._preprocess( + seq_init, x_t, t) + B,N,L = xyz_t.shape[:3] + + ################################## + ######## Str Self Cond ########### + ################################## + if (t < self.diffuser.T) and (t != self.diffuser_conf.partial_T): + zeros = torch.zeros(B,1,L,24,3).float().to(xyz_t.device) + xyz_t = torch.cat((self.prev_pred.unsqueeze(1),zeros), dim=-2) # [B,T,L,27,3] + t2d_44 = xyz_to_t2d(xyz_t) # [B,T,L,L,44] + else: + xyz_t = torch.zeros_like(xyz_t) + t2d_44 = torch.zeros_like(t2d[...,:44]) + # No effect if t2d is only dim 44 + t2d[...,:44] = t2d_44 + + if self.symmetry is not None: + idx_pdb, self.chain_idx = self.symmetry.res_idx_procesing(res_idx=idx_pdb) + + #################### + ### Forward Pass ### + #################### + + with torch.no_grad(): + msa_prev, pair_prev, px0, state_prev, alpha, logits, plddt = self.model(msa_masked, + msa_full, + seq_in, + xt_in, + idx_pdb, + t1d=t1d, + t2d=t2d, + xyz_t=xyz_t, + alpha_t=alpha_t, + msa_prev = None, + pair_prev = None, + state_prev = None, + t=torch.tensor(t), + return_infer=True, + motif_mask=self.diffusion_mask.squeeze().to(self.device)) + + if self.symmetry is not None and self.inf_conf.symmetric_self_cond: + px0 = self.symmetrise_prev_pred(px0=px0,seq_in=seq_in, alpha=alpha)[:,:,:3] + + self.prev_pred = torch.clone(px0) + + # prediction of X0 + _, px0 = self.allatom(torch.argmax(seq_in, dim=-1), px0, alpha) + px0 = px0.squeeze()[:,:14] + + ########################### + ### Generate Next Input ### + ########################### + + seq_t_1 = torch.clone(seq_init) + if t > final_step: + x_t_1, px0 = self.denoiser.get_next_pose( + xt=x_t, + px0=px0, + t=t, + diffusion_mask=self.mask_str.squeeze(), + align_motif=self.inf_conf.align_motif, + include_motif_sidechains=self.preprocess_conf.motif_sidechain_input + ) + self._log.info( + f'Timestep {t}, input to next step: { seq2chars(torch.argmax(seq_t_1, dim=-1).tolist())}') + else: + x_t_1 = torch.clone(px0).to(x_t.device) + px0 = px0.to(x_t.device) + + ###################### + ### Apply symmetry ### + ###################### + + if self.symmetry is not None: + x_t_1, seq_t_1 = self.symmetry.apply_symmetry(x_t_1, seq_t_1) + + return px0, x_t_1, seq_t_1, plddt + + def symmetrise_prev_pred(self, px0, seq_in, alpha): + """ + Method for symmetrising px0 output for self-conditioning + """ + _,px0_aa = self.allatom(torch.argmax(seq_in, dim=-1), px0, alpha) + px0_sym,_ = self.symmetry.apply_symmetry(px0_aa.to('cpu').squeeze()[:,:14], torch.argmax(seq_in, dim=-1).squeeze().to('cpu')) + px0_sym = px0_sym[None].to(self.device) + return px0_sym + +class ScaffoldedSampler(SelfConditioning): + """ + Model Runner for Scaffold-Constrained diffusion + """ + def __init__(self, conf: DictConfig): + """ + Initialize scaffolded sampler. + Two basic approaches here: + i) Given a block adjacency/secondary structure input, generate a fold (in the presence or absence of a target) + - This allows easy generation of binders or specific folds + - Allows simple expansion of an input, to sample different lengths + ii) Providing a contig input and corresponding block adjacency/secondary structure input + - This allows mixed motif scaffolding and fold-conditioning. + - Adjacency/secondary structure inputs must correspond exactly in length to the contig string + """ + super().__init__(conf) + # initialize BlockAdjacency sampling class + self.blockadjacency = iu.BlockAdjacency(conf, conf.inference.num_designs) + + ################################################# + ### Initialize target, if doing binder design ### + ################################################# + + if conf.scaffoldguided.target_pdb: + self.target = iu.Target(conf.scaffoldguided, conf.ppi.hotspot_res) + self.target_pdb = self.target.get_target() + if conf.scaffoldguided.target_ss is not None: + self.target_ss = torch.load(conf.scaffoldguided.target_ss).long() + self.target_ss = torch.nn.functional.one_hot(self.target_ss, num_classes=4) + if self._conf.scaffoldguided.contig_crop is not None: + self.target_ss=self.target_ss[self.target_pdb['crop_mask']] + if conf.scaffoldguided.target_adj is not None: + self.target_adj = torch.load(conf.scaffoldguided.target_adj).long() + self.target_adj=torch.nn.functional.one_hot(self.target_adj, num_classes=3) + if self._conf.scaffoldguided.contig_crop is not None: + self.target_adj=self.target_adj[self.target_pdb['crop_mask']] + self.target_adj=self.target_adj[:,self.target_pdb['crop_mask']] + else: + self.target = None + self.target_pdb=False + + def sample_init(self): + """ + Wrapper method for taking secondary structure + adj, and outputting xt, seq_t + """ + + ########################## + ### Process Fold Input ### + ########################## + self.L, self.ss, self.adj = self.blockadjacency.get_scaffold() + self.adj = nn.one_hot(self.adj.long(), num_classes=3) + + ############################## + ### Auto-contig generation ### + ############################## + + if self.contig_conf.contigs is None: + # process target + xT = torch.full((self.L, 27,3), np.nan) + xT = get_init_xyz(xT[None,None]).squeeze() + seq_T = torch.full((self.L,),21) + self.diffusion_mask = torch.full((self.L,),False) + atom_mask = torch.full((self.L,27), False) + self.binderlen=self.L + + if self.target: + target_L = np.shape(self.target_pdb['xyz'])[0] + # xyz + target_xyz = torch.full((target_L, 27, 3), np.nan) + target_xyz[:,:14,:] = torch.from_numpy(self.target_pdb['xyz']) + xT = torch.cat((xT, target_xyz), dim=0) + # seq + seq_T = torch.cat((seq_T, torch.from_numpy(self.target_pdb['seq'])), dim=0) + # diffusion mask + self.diffusion_mask = torch.cat((self.diffusion_mask, torch.full((target_L,), True)),dim=0) + # atom mask + mask_27 = torch.full((target_L, 27), False) + mask_27[:,:14] = torch.from_numpy(self.target_pdb['mask']) + atom_mask = torch.cat((atom_mask, mask_27), dim=0) + self.L += target_L + # generate contigmap object + contig = [] + for idx,i in enumerate(self.target_pdb['pdb_idx'][:-1]): + if idx==0: + start=i[1] + if i[1] + 1 != self.target_pdb['pdb_idx'][idx+1][1] or i[0] != self.target_pdb['pdb_idx'][idx+1][0]: + contig.append(f'{i[0]}{start}-{i[1]}/0 ') + start = self.target_pdb['pdb_idx'][idx+1][1] + contig.append(f"{self.target_pdb['pdb_idx'][-1][0]}{start}-{self.target_pdb['pdb_idx'][-1][1]}/0 ") + contig.append(f"{self.binderlen}-{self.binderlen}") + contig = ["".join(contig)] + else: + contig = [f"{self.binderlen}-{self.binderlen}"] + self.contig_map=ContigMap(self.target_pdb, contig) + self.mappings = self.contig_map.get_mappings() + self.mask_seq = self.diffusion_mask + self.mask_str = self.diffusion_mask + L_mapped=len(self.contig_map.ref) + + ############################ + ### Specific Contig mode ### + ############################ + + else: + # get contigmap from command line + assert self.target is None, "Giving a target is the wrong way of handling this is you're doing contigs and secondary structure" + + # process target and reinitialise potential_manager. This is here because the 'target' is always set up to be the second chain in out inputs. + self.target_feats = iu.process_target(self.inf_conf.input_pdb) + self.contig_map = self.construct_contig(self.target_feats) + self.mappings = self.contig_map.get_mappings() + self.mask_seq = torch.from_numpy(self.contig_map.inpaint_seq)[None,:] + self.mask_str = torch.from_numpy(self.contig_map.inpaint_str)[None,:] + self.binderlen = len(self.contig_map.inpaint) + target_feats = self.target_feats + contig_map = self.contig_map + + xyz_27 = target_feats['xyz_27'] + mask_27 = target_feats['mask_27'] + seq_orig = target_feats['seq'] + L_mapped = len(self.contig_map.ref) + seq_T=torch.full((L_mapped,),21) + seq_T[contig_map.hal_idx0] = seq_orig[contig_map.ref_idx0] + seq_T[~self.mask_seq.squeeze()] = 21 + assert L_mapped==self.adj.shape[0] + diffusion_mask = self.mask_str + self.diffusion_mask = diffusion_mask + + xT = torch.full((1,1,L_mapped,27,3), np.nan) + xT[:, :, contig_map.hal_idx0, ...] = xyz_27[contig_map.ref_idx0,...] + xT = get_init_xyz(xT).squeeze() + atom_mask = torch.full((L_mapped, 27), False) + atom_mask[contig_map.hal_idx0] = mask_27[contig_map.ref_idx0] + + #################### + ### Get hotspots ### + #################### + self.hotspot_0idx=iu.get_idx0_hotspots(self.mappings, self.ppi_conf, self.binderlen) + + ######################### + ### Set up potentials ### + ######################### + + self.potential_manager = PotentialManager(self.potential_conf, + self.ppi_conf, + self.diffuser_conf, + self.inf_conf, + self.hotspot_0idx, + self.binderlen) + + self.chain_idx=['A' if i < self.binderlen else 'B' for i in range(self.L)] + + ######################## + ### Handle Partial T ### + ######################## + + if self.diffuser_conf.partial_T: + assert self.diffuser_conf.partial_T <= self.diffuser_conf.T + self.t_step_input = int(self.diffuser_conf.partial_T) + else: + self.t_step_input = int(self.diffuser_conf.T) + t_list = np.arange(1, self.t_step_input+1) + seq_T=torch.nn.functional.one_hot(seq_T, num_classes=22).float() + + fa_stack, xyz_true = self.diffuser.diffuse_pose( + xT, + torch.clone(seq_T), + atom_mask.squeeze(), + diffusion_mask=self.diffusion_mask.squeeze(), + t_list=t_list, + include_motif_sidechains=self.preprocess_conf.motif_sidechain_input) + + ####################### + ### Set up Denoiser ### + ####################### + + self.denoiser = self.construct_denoiser(self.L, visible=self.mask_seq.squeeze()) + + + xT = torch.clone(fa_stack[-1].squeeze()[:,:14,:]) + return xT, seq_T + + def _preprocess(self, seq, xyz_t, t): + msa_masked, msa_full, seq, xyz_prev, idx_pdb, t1d, t2d, xyz_t, alpha_t = super()._preprocess(seq, xyz_t, t, repack=False) + + ################################### + ### Add Adj/Secondary Structure ### + ################################### + + assert self.preprocess_conf.d_t1d == 28, "The checkpoint you're using hasn't been trained with sec-struc/block adjacency features" + assert self.preprocess_conf.d_t2d == 47, "The checkpoint you're using hasn't been trained with sec-struc/block adjacency features" + + ##################### + ### Handle Target ### + ##################### + + if self.target: + blank_ss = torch.nn.functional.one_hot(torch.full((self.L-self.binderlen,), 3), num_classes=4) + full_ss = torch.cat((self.ss, blank_ss), dim=0) + if self._conf.scaffoldguided.target_ss is not None: + full_ss[self.binderlen:] = self.target_ss + else: + full_ss = self.ss + t1d=torch.cat((t1d, full_ss[None,None].to(self.device)), dim=-1) + + t1d = t1d.float() + + ########### + ### t2d ### + ########### + + if self.d_t2d == 47: + if self.target: + full_adj = torch.zeros((self.L, self.L, 3)) + full_adj[:,:,-1] = 1. #set to mask + full_adj[:self.binderlen, :self.binderlen] = self.adj + if self._conf.scaffoldguided.target_adj is not None: + full_adj[self.binderlen:,self.binderlen:] = self.target_adj + else: + full_adj = self.adj + t2d=torch.cat((t2d, full_adj[None,None].to(self.device)),dim=-1) + + ########### + ### idx ### + ########### + + if self.target: + idx_pdb[:,self.binderlen:] += 200 + + return msa_masked, msa_full, seq, xyz_prev, idx_pdb, t1d, t2d, xyz_t, alpha_t diff --git a/RFdiffusion/rfdiffusion/inference/sym_rots.npz b/RFdiffusion/rfdiffusion/inference/sym_rots.npz new file mode 100644 index 0000000000000000000000000000000000000000..18a7f032d6a6ba323b9c2ff8ea3e6e9795b9094e --- /dev/null +++ b/RFdiffusion/rfdiffusion/inference/sym_rots.npz @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:67c7ad09f2c09e465ecb6b785ea92de92d79c99ef7381a60bcfca1b9b1c8d4f2 +size 7694 diff --git a/RFdiffusion/rfdiffusion/inference/symmetry.py b/RFdiffusion/rfdiffusion/inference/symmetry.py new file mode 100644 index 0000000000000000000000000000000000000000..864a5abe73aed33a4d68545d571bf48aa3bf606b --- /dev/null +++ b/RFdiffusion/rfdiffusion/inference/symmetry.py @@ -0,0 +1,236 @@ +"""Helper class for handle symmetric assemblies.""" +from pyrsistent import v +from scipy.spatial.transform import Rotation +import functools as fn +import torch +import string +import logging +import numpy as np +import pathlib + +format_rots = lambda r: torch.tensor(r).float() + +T3_ROTATIONS = [ + torch.Tensor([ + [ 1., 0., 0.], + [ 0., 1., 0.], + [ 0., 0., 1.]]).float(), + torch.Tensor([ + [-1., -0., 0.], + [-0., 1., 0.], + [-0., 0., -1.]]).float(), + torch.Tensor([ + [-1., 0., 0.], + [ 0., -1., 0.], + [ 0., 0., 1.]]).float(), + torch.Tensor([ + [ 1., 0., 0.], + [ 0., -1., 0.], + [ 0., 0., -1.]]).float(), +] + +saved_symmetries = ['tetrahedral', 'octahedral', 'icosahedral'] + +class SymGen: + + def __init__(self, global_sym, recenter, radius, model_only_neighbors=False): + self._log = logging.getLogger(__name__) + self._recenter = recenter + self._radius = radius + + if global_sym.lower().startswith('c'): + # Cyclic symmetry + if not global_sym[1:].isdigit(): + raise ValueError(f'Invalid cyclic symmetry {global_sym}') + self._log.info( + f'Initializing cyclic symmetry order {global_sym[1:]}.') + self._init_cyclic(int(global_sym[1:])) + self.apply_symmetry = self._apply_cyclic + + elif global_sym.lower().startswith('d'): + # Dihedral symmetry + if not global_sym[1:].isdigit(): + raise ValueError(f'Invalid dihedral symmetry {global_sym}') + self._log.info( + f'Initializing dihedral symmetry order {global_sym[1:]}.') + self._init_dihedral(int(global_sym[1:])) + # Applied the same way as cyclic symmetry + self.apply_symmetry = self._apply_cyclic + + elif global_sym.lower() == 't3': + # Tetrahedral (T3) symmetry + self._log.info('Initializing T3 symmetry order.') + self.sym_rots = T3_ROTATIONS + self.order = 4 + # Applied the same way as cyclic symmetry + self.apply_symmetry = self._apply_cyclic + + elif global_sym == 'octahedral': + # Octahedral symmetry + self._log.info( + 'Initializing octahedral symmetry.') + self._init_octahedral() + self.apply_symmetry = self._apply_octahedral + + elif global_sym.lower() in saved_symmetries: + # Using a saved symmetry + self._log.info('Initializing %s symmetry order.'%global_sym) + self._init_from_symrots_file(global_sym) + + # Applied the same way as cyclic symmetry + self.apply_symmetry = self._apply_cyclic + else: + raise ValueError(f'Unrecognized symmetry {global_sym}') + + self.res_idx_procesing = fn.partial( + self._lin_chainbreaks, num_breaks=self.order) + + ##################### + ## Cyclic symmetry ## + ##################### + def _init_cyclic(self, order): + sym_rots = [] + for i in range(order): + deg = i * 360.0 / order + r = Rotation.from_euler('z', deg, degrees=True) + sym_rots.append(format_rots(r.as_matrix())) + self.sym_rots = sym_rots + self.order = order + + def _apply_cyclic(self, coords_in, seq_in): + coords_out = torch.clone(coords_in) + seq_out = torch.clone(seq_in) + if seq_out.shape[0] % self.order != 0: + raise ValueError( + f'Sequence length must be divisble by {self.order}') + subunit_len = seq_out.shape[0] // self.order + for i in range(self.order): + start_i = subunit_len * i + end_i = subunit_len * (i+1) + coords_out[start_i:end_i] = torch.einsum( + 'bnj,kj->bnk', coords_out[:subunit_len], self.sym_rots[i]) + seq_out[start_i:end_i] = seq_out[:subunit_len] + return coords_out, seq_out + + def _lin_chainbreaks(self, num_breaks, res_idx, offset=None): + assert res_idx.ndim == 2 + res_idx = torch.clone(res_idx) + subunit_len = res_idx.shape[-1] // num_breaks + chain_delimiters = [] + if offset is None: + offset = res_idx.shape[-1] + for i in range(num_breaks): + start_i = subunit_len * i + end_i = subunit_len * (i+1) + chain_labels = list(string.ascii_uppercase) + [str(i+j) for i in + string.ascii_uppercase for j in string.ascii_uppercase] + chain_delimiters.extend( + [chain_labels[i] for _ in range(subunit_len)] + ) + res_idx[:, start_i:end_i] = res_idx[:, start_i:end_i] + offset * (i+1) + return res_idx, chain_delimiters + + ####################### + ## Dihedral symmetry ## + ####################### + def _init_dihedral(self, order): + sym_rots = [] + flip = Rotation.from_euler('x', 180, degrees=True).as_matrix() + for i in range(order): + deg = i * 360.0 / order + rot = Rotation.from_euler('z', deg, degrees=True).as_matrix() + sym_rots.append(format_rots(rot)) + rot2 = flip @ rot + sym_rots.append(format_rots(rot2)) + self.sym_rots = sym_rots + self.order = order * 2 + + ######################### + ## Octahedral symmetry ## + ######################### + def _init_octahedral(self): + sym_rots = np.load(f"{pathlib.Path(__file__).parent.resolve()}/sym_rots.npz") + self.sym_rots = [ + torch.tensor(v_i, dtype=torch.float32) + for v_i in sym_rots['octahedral'] + ] + self.order = len(self.sym_rots) + + def _apply_octahedral(self, coords_in, seq_in): + coords_out = torch.clone(coords_in) + seq_out = torch.clone(seq_in) + if seq_out.shape[0] % self.order != 0: + raise ValueError( + f'Sequence length must be divisble by {self.order}') + subunit_len = seq_out.shape[0] // self.order + base_axis = torch.tensor([self._radius, 0., 0.])[None] + for i in range(self.order): + start_i = subunit_len * i + end_i = subunit_len * (i+1) + subunit_chain = torch.einsum( + 'bnj,kj->bnk', coords_in[:subunit_len], self.sym_rots[i]) + + if self._recenter: + center = torch.mean(subunit_chain[:, 1, :], axis=0) + subunit_chain -= center[None, None, :] + rotated_axis = torch.einsum( + 'nj,kj->nk', base_axis, self.sym_rots[i]) + subunit_chain += rotated_axis[:, None, :] + + coords_out[start_i:end_i] = subunit_chain + seq_out[start_i:end_i] = seq_out[:subunit_len] + return coords_out, seq_out + + ####################### + ## symmetry from file # + ####################### + def _init_from_symrots_file(self, name): + """ _init_from_symrots_file initializes using + ./inference/sym_rots.npz + + Args: + name: name of symmetry (of tetrahedral, octahedral, icosahedral) + + sets self.sym_rots to be a list of torch.tensor of shape [3, 3] + """ + assert name in saved_symmetries, name + " not in " + str(saved_symmetries) + + # Load in list of rotation matrices for `name` + fn = f"{pathlib.Path(__file__).parent.resolve()}/sym_rots.npz" + obj = np.load(fn) + symms = None + for k, v in obj.items(): + if str(k) == name: symms = v + assert symms is not None, "%s not found in %s"%(name, fn) + + + self.sym_rots = [torch.tensor(v_i, dtype=torch.float32) for v_i in symms] + self.order = len(self.sym_rots) + + # Return if identity is the first rotation + if not np.isclose(((self.sym_rots[0]-np.eye(3))**2).sum(), 0): + + # Move identity to be the first rotation + for i, rot in enumerate(self.sym_rots): + if np.isclose(((rot-np.eye(3))**2).sum(), 0): + self.sym_rots = [self.sym_rots.pop(i)] + self.sym_rots + + assert len(self.sym_rots) == self.order + assert np.isclose(((self.sym_rots[0]-np.eye(3))**2).sum(), 0) + + def close_neighbors(self): + """close_neighbors finds the rotations within self.sym_rots that + correspond to close neighbors. + + Returns: + list of rotation matrices corresponding to the identity and close neighbors + """ + # set of small rotation angle rotations + rel_rot = lambda M: np.linalg.norm(Rotation.from_matrix(M).as_rotvec()) + rel_rots = [(i+1, rel_rot(M)) for i, M in enumerate(self.sym_rots[1:])] + min_rot = min(rel_rot_val[1] for rel_rot_val in rel_rots) + close_rots = [np.eye(3)] + [ + self.sym_rots[i] for i, rel_rot_val in rel_rots if + np.isclose(rel_rot_val, min_rot) + ] + return close_rots diff --git a/RFdiffusion/rfdiffusion/inference/utils.py b/RFdiffusion/rfdiffusion/inference/utils.py new file mode 100644 index 0000000000000000000000000000000000000000..43e7e99b7e6bd272690d6a97b79c5ce77ca9606b --- /dev/null +++ b/RFdiffusion/rfdiffusion/inference/utils.py @@ -0,0 +1,1003 @@ +import numpy as np +import os +from omegaconf import DictConfig +import torch +import torch.nn.functional as nn +from rfdiffusion.diffusion import get_beta_schedule +from scipy.spatial.transform import Rotation as scipy_R +from rfdiffusion.util import rigid_from_3_points +from rfdiffusion.util_module import ComputeAllAtomCoords +from rfdiffusion import util +import random +import logging +from rfdiffusion.inference import model_runners +import glob + +########################################################### +#### Functions which can be called outside of Denoiser #### +########################################################### + + +def get_next_frames(xt, px0, t, diffuser, so3_type, diffusion_mask, noise_scale=1.0): + """ + get_next_frames gets updated frames using IGSO(3) + score_based reverse diffusion. + + + based on self.so3_type use score based update. + + Generate frames at t-1 + Rather than generating random rotations (as occurs during forward process), calculate rotation between xt and px0 + + Args: + xt: noised coordinates of shape [L, 14, 3] + px0: prediction of coordinates at t=0, of shape [L, 14, 3] + t: integer time step + diffuser: Diffuser object for reverse igSO3 sampling + so3_type: The type of SO3 noising being used ('igso3') + diffusion_mask: of shape [L] of type bool, True means not to be + updated (e.g. mask is true for motif residues) + noise_scale: scale factor for the noise added (IGSO3 only) + + Returns: + backbone coordinates for step x_t-1 of shape [L, 3, 3] + """ + N_0 = px0[None, :, 0, :] + Ca_0 = px0[None, :, 1, :] + C_0 = px0[None, :, 2, :] + + R_0, Ca_0 = rigid_from_3_points(N_0, Ca_0, C_0) + + N_t = xt[None, :, 0, :] + Ca_t = xt[None, :, 1, :] + C_t = xt[None, :, 2, :] + + R_t, Ca_t = rigid_from_3_points(N_t, Ca_t, C_t) + + # this must be to normalize them or something + R_0 = scipy_R.from_matrix(R_0.squeeze().numpy()).as_matrix() + R_t = scipy_R.from_matrix(R_t.squeeze().numpy()).as_matrix() + + L = R_t.shape[0] + all_rot_transitions = np.broadcast_to(np.identity(3), (L, 3, 3)).copy() + # Sample next frame for each residue + if so3_type == "igso3": + # don't do calculations on masked positions since they end up as identity matrix + all_rot_transitions[ + ~diffusion_mask + ] = diffuser.so3_diffuser.reverse_sample_vectorized( + R_t[~diffusion_mask], + R_0[~diffusion_mask], + t, + noise_level=noise_scale, + mask=None, + return_perturb=True, + ) + else: + assert False, "so3 diffusion type %s not implemented" % so3_type + + all_rot_transitions = all_rot_transitions[:, None, :, :] + + # Apply the interpolated rotation matrices to the coordinates + next_crds = ( + np.einsum( + "lrij,laj->lrai", + all_rot_transitions, + xt[:, :3, :] - Ca_t.squeeze()[:, None, ...].numpy(), + ) + + Ca_t.squeeze()[:, None, None, ...].numpy() + ) + + # (L,3,3) set of backbone coordinates with slight rotation + return next_crds.squeeze(1) + + +def get_mu_xt_x0(xt, px0, t, beta_schedule, alphabar_schedule, eps=1e-6): + """ + Given xt, predicted x0 and the timestep t, give mu of x(t-1) + Assumes t is 0 indexed + """ + # sigma is predefined from beta. Often referred to as beta tilde t + t_idx = t - 1 + sigma = ( + (1 - alphabar_schedule[t_idx - 1]) / (1 - alphabar_schedule[t_idx]) + ) * beta_schedule[t_idx] + + xt_ca = xt[:, 1, :] + px0_ca = px0[:, 1, :] + + a = ( + (torch.sqrt(alphabar_schedule[t_idx - 1] + eps) * beta_schedule[t_idx]) + / (1 - alphabar_schedule[t_idx]) + ) * px0_ca + b = ( + ( + torch.sqrt(1 - beta_schedule[t_idx] + eps) + * (1 - alphabar_schedule[t_idx - 1]) + ) + / (1 - alphabar_schedule[t_idx]) + ) * xt_ca + + mu = a + b + + return mu, sigma + + +def get_next_ca( + xt, + px0, + t, + diffusion_mask, + crd_scale, + beta_schedule, + alphabar_schedule, + noise_scale=1.0, +): + """ + Given full atom x0 prediction (xyz coordinates), diffuse to x(t-1) + + Parameters: + + xt (L, 14/27, 3) set of coordinates + + px0 (L, 14/27, 3) set of coordinates + + t: time step. Note this is zero-index current time step, so are generating t-1 + + logits_aa (L x 20 ) amino acid probabilities at each position + + seq_schedule (L): Tensor of bools, True is unmasked, False is masked. For this specific t + + diffusion_mask (torch.tensor, required): Tensor of bools, True means NOT diffused at this residue, False means diffused + + noise_scale: scale factor for the noise being added + + """ + get_allatom = ComputeAllAtomCoords().to(device=xt.device) + L = len(xt) + + # bring to origin after global alignment (when don't have a motif) or replace input motif and bring to origin, and then scale + px0 = px0 * crd_scale + xt = xt * crd_scale + + # get mu(xt, x0) + mu, sigma = get_mu_xt_x0( + xt, px0, t, beta_schedule=beta_schedule, alphabar_schedule=alphabar_schedule + ) + + sampled_crds = torch.normal(mu, torch.sqrt(sigma * noise_scale)) + delta = sampled_crds - xt[:, 1, :] # check sign of this is correct + + if not diffusion_mask is None: + # Don't move motif + delta[diffusion_mask, ...] = 0 + + out_crds = xt + delta[:, None, :] + + return out_crds / crd_scale, delta / crd_scale + + +def get_noise_schedule(T, noiseT, noise1, schedule_type): + """ + Function to create a schedule that varies the scale of noise given to the model over time + + Parameters: + + T: The total number of timesteps in the denoising trajectory + + noiseT: The inital (t=T) noise scale + + noise1: The final (t=1) noise scale + + schedule_type: The type of function to use to interpolate between noiseT and noise1 + + Returns: + + noise_schedule: A function which maps timestep to noise scale + + """ + + noise_schedules = { + "constant": lambda t: noiseT, + "linear": lambda t: ((t - 1) / (T - 1)) * (noiseT - noise1) + noise1, + } + + assert ( + schedule_type in noise_schedules + ), f"noise_schedule must be one of {noise_schedules.keys()}. Received noise_schedule={schedule_type}. Exiting." + + return noise_schedules[schedule_type] + + +class Denoise: + """ + Class for getting x(t-1) from predicted x0 and x(t) + Strategy: + Ca coordinates: Rediffuse to x(t-1) from predicted x0 + Frames: Approximate update from rotation score + Torsions: 1/t of the way to the x0 prediction + + """ + + def __init__( + self, + T, + L, + diffuser, + b_0=0.001, + b_T=0.1, + min_b=1.0, + max_b=12.5, + min_sigma=0.05, + max_sigma=1.5, + noise_level=0.5, + schedule_type="linear", + so3_schedule_type="linear", + schedule_kwargs={}, + so3_type="igso3", + noise_scale_ca=1.0, + final_noise_scale_ca=1, + ca_noise_schedule_type="constant", + noise_scale_frame=0.5, + final_noise_scale_frame=0.5, + frame_noise_schedule_type="constant", + crd_scale=1 / 15, + potential_manager=None, + partial_T=None, + ): + """ + + Parameters: + noise_level: scaling on the noise added (set to 0 to use no noise, + to 1 to have full noise) + + """ + self.T = T + self.L = L + self.diffuser = diffuser + self.b_0 = b_0 + self.b_T = b_T + self.noise_level = noise_level + self.schedule_type = schedule_type + self.so3_type = so3_type + self.crd_scale = crd_scale + self.noise_scale_ca = noise_scale_ca + self.final_noise_scale_ca = final_noise_scale_ca + self.ca_noise_schedule_type = ca_noise_schedule_type + self.noise_scale_frame = noise_scale_frame + self.final_noise_scale_frame = final_noise_scale_frame + self.frame_noise_schedule_type = frame_noise_schedule_type + self.potential_manager = potential_manager + self._log = logging.getLogger(__name__) + + self.schedule, self.alpha_schedule, self.alphabar_schedule = get_beta_schedule( + self.T, self.b_0, self.b_T, self.schedule_type, inference=True + ) + + self.noise_schedule_ca = get_noise_schedule( + self.T, + self.noise_scale_ca, + self.final_noise_scale_ca, + self.ca_noise_schedule_type, + ) + self.noise_schedule_frame = get_noise_schedule( + self.T, + self.noise_scale_frame, + self.final_noise_scale_frame, + self.frame_noise_schedule_type, + ) + + @property + def idx2steps(self): + return self.decode_scheduler.idx2steps.numpy() + + def align_to_xt_motif(self, px0, xT, diffusion_mask, eps=1e-6): + """ + Need to align px0 to motif in xT. This is to permit the swapping of residue positions in the px0 motif for the true coordinates. + First, get rotation matrix from px0 to xT for the motif residues. + Second, rotate px0 (whole structure) by that rotation matrix + Third, centre at origin + """ + + def rmsd(V, W, eps=0): + # First sum down atoms, then sum down xyz + N = V.shape[-2] + return np.sqrt(np.sum((V - W) * (V - W), axis=(-2, -1)) / N + eps) + + assert ( + xT.shape[1] == px0.shape[1] + ), f"xT has shape {xT.shape} and px0 has shape {px0.shape}" + + L, n_atom, _ = xT.shape # A is number of atoms + atom_mask = ~torch.isnan(px0) + # convert to numpy arrays + px0 = px0.cpu().detach().numpy() + xT = xT.cpu().detach().numpy() + diffusion_mask = diffusion_mask.cpu().detach().numpy() + + # 1 centre motifs at origin and get rotation matrix + px0_motif = px0[diffusion_mask, :3].reshape(-1, 3) + xT_motif = xT[diffusion_mask, :3].reshape(-1, 3) + px0_motif_mean = np.copy(px0_motif.mean(0)) # need later + xT_motif_mean = np.copy(xT_motif.mean(0)) + + # center at origin + px0_motif = px0_motif - px0_motif_mean + xT_motif = xT_motif - xT_motif_mean + + # A = px0_motif + # B = xT_motif + A = xT_motif + B = px0_motif + + C = np.matmul(A.T, B) + + # compute optimal rotation matrix using SVD + U, S, Vt = np.linalg.svd(C) + + # ensure right handed coordinate system + d = np.eye(3) + d[-1, -1] = np.sign(np.linalg.det(Vt.T @ U.T)) + + # construct rotation matrix + R = Vt.T @ d @ U.T + + # get rotated coords + rB = B @ R + + # calculate rmsd + rms = rmsd(A, rB) + self._log.info(f"Sampled motif RMSD: {rms:.2f}") + + # 2 rotate whole px0 by rotation matrix + atom_mask = atom_mask.cpu() + px0[~atom_mask] = 0 # convert nans to 0 + px0 = px0.reshape(-1, 3) - px0_motif_mean + px0_ = px0 @ R + + # 3 put in same global position as xT + px0_ = px0_ + xT_motif_mean + px0_ = px0_.reshape([L, n_atom, 3]) + px0_[~atom_mask] = float("nan") + return torch.Tensor(px0_) + + def get_potential_gradients(self, xyz, diffusion_mask): + """ + This could be moved into potential manager if desired - NRB + + Function to take a structure (x) and get per-atom gradients used to guide diffusion update + + Inputs: + + xyz (torch.tensor, required): [L,27,3] Coordinates at which the gradient will be computed + + Outputs: + + Ca_grads (torch.tensor): [L,3] The gradient at each Ca atom + """ + + if self.potential_manager == None or self.potential_manager.is_empty(): + return torch.zeros(xyz.shape[0], 3) + + use_Cb = False + + # seq.requires_grad = True + xyz.requires_grad = True + + if not xyz.grad is None: + xyz.grad.zero_() + + current_potential = self.potential_manager.compute_all_potentials(xyz) + current_potential.backward() + + # Since we are not moving frames, Cb grads are same as Ca grads + # Need access to calculated Cb coordinates to be able to get Cb grads though + Ca_grads = xyz.grad[:, 1, :] + + if not diffusion_mask == None: + Ca_grads[diffusion_mask, :] = 0 + + # check for NaN's + if torch.isnan(Ca_grads).any(): + print("WARNING: NaN in potential gradients, replacing with zero grad.") + Ca_grads[:] = 0 + + return Ca_grads + + def get_next_pose( + self, + xt, + px0, + t, + diffusion_mask, + fix_motif=True, + align_motif=True, + include_motif_sidechains=True, + ): + """ + Wrapper function to take px0, xt and t, and to produce xt-1 + First, aligns px0 to xt + Then gets coordinates, frames and torsion angles + + Parameters: + + xt (torch.tensor, required): Current coordinates at timestep t + + px0 (torch.tensor, required): Prediction of x0 + + t (int, required): timestep t + + diffusion_mask (torch.tensor, required): Mask for structure diffusion + + fix_motif (bool): Fix the motif structure + + align_motif (bool): Align the model's prediction of the motif to the input motif + + include_motif_sidechains (bool): Provide sidechains of the fixed motif to the model + """ + + get_allatom = ComputeAllAtomCoords().to(device=xt.device) + L, n_atom = xt.shape[:2] + assert (xt.shape[1] == 14) or (xt.shape[1] == 27) + assert (px0.shape[1] == 14) or (px0.shape[1] == 27) + + ############################### + ### Align pX0 onto Xt motif ### + ############################### + + if align_motif and diffusion_mask.any(): + px0 = self.align_to_xt_motif(px0, xt, diffusion_mask) + # xT_motif_aligned = self.align_to_xt_motif(px0, xt, diffusion_mask) + + px0 = px0.to(xt.device) + # Now done with diffusion mask. if fix motif is False, just set diffusion mask to be all True, and all coordinates can diffuse + if not fix_motif: + diffusion_mask[:] = False + + # get the next set of CA coordinates + noise_scale_ca = self.noise_schedule_ca(t) + _, ca_deltas = get_next_ca( + xt, + px0, + t, + diffusion_mask, + crd_scale=self.crd_scale, + beta_schedule=self.schedule, + alphabar_schedule=self.alphabar_schedule, + noise_scale=noise_scale_ca, + ) + + # get the next set of backbone frames (coordinates) + noise_scale_frame = self.noise_schedule_frame(t) + frames_next = get_next_frames( + xt, + px0, + t, + diffuser=self.diffuser, + so3_type=self.so3_type, + diffusion_mask=diffusion_mask, + noise_scale=noise_scale_frame, + ) + + # Apply gradient step from guiding potentials + # This can be moved to below where the full atom representation is calculated to allow for potentials involving sidechains + + grad_ca = self.get_potential_gradients( + xt.clone(), diffusion_mask=diffusion_mask + ) + + ca_deltas += self.potential_manager.get_guide_scale(t) * grad_ca + + # add the delta to the new frames + frames_next = torch.from_numpy(frames_next) + ca_deltas[:, None, :] # translate + + fullatom_next = torch.full_like(xt, float("nan")).unsqueeze(0) + fullatom_next[:, :, :3] = frames_next[None] + # This is never used so just make it a fudged tensor - NRB + torsions_next = torch.zeros(1, 1) + + if include_motif_sidechains: + fullatom_next[:, diffusion_mask, :14] = xt[None, diffusion_mask] + + return fullatom_next.squeeze()[:, :14, :], px0 + + +def sampler_selector(conf: DictConfig): + if conf.scaffoldguided.scaffoldguided: + sampler = model_runners.ScaffoldedSampler(conf) + else: + if conf.inference.model_runner == "default": + sampler = model_runners.Sampler(conf) + elif conf.inference.model_runner == "SelfConditioning": + sampler = model_runners.SelfConditioning(conf) + elif conf.inference.model_runner == "ScaffoldedSampler": + sampler = model_runners.ScaffoldedSampler(conf) + else: + raise ValueError(f"Unrecognized sampler {conf.model_runner}") + return sampler + + +def parse_pdb(filename, **kwargs): + """extract xyz coords for all heavy atoms""" + with open(filename,"r") as f: + lines=f.readlines() + return parse_pdb_lines(lines, **kwargs) + + +def parse_pdb_lines(lines, parse_hetatom=False, ignore_het_h=True): + # indices of residues observed in the structure + res, pdb_idx = [],[] + for l in lines: + if l[:4] == "ATOM" and l[12:16].strip() == "CA": + res.append((l[22:26], l[17:20])) + # chain letter, res num + pdb_idx.append((l[21:22].strip(), int(l[22:26].strip()))) + seq = [util.aa2num[r[1]] if r[1] in util.aa2num.keys() else 20 for r in res] + pdb_idx = [ + (l[21:22].strip(), int(l[22:26].strip())) + for l in lines + if l[:4] == "ATOM" and l[12:16].strip() == "CA" + ] # chain letter, res num + + # 4 BB + up to 10 SC atoms + xyz = np.full((len(res), 14, 3), np.nan, dtype=np.float32) + for l in lines: + if l[:4] != "ATOM": + continue + chain, resNo, atom, aa = ( + l[21:22], + int(l[22:26]), + " " + l[12:16].strip().ljust(3), + l[17:20], + ) + if (chain,resNo) in pdb_idx: + idx = pdb_idx.index((chain, resNo)) + # for i_atm, tgtatm in enumerate(util.aa2long[util.aa2num[aa]]): + for i_atm, tgtatm in enumerate( + util.aa2long[util.aa2num[aa]][:14] + ): + if ( + tgtatm is not None and tgtatm.strip() == atom.strip() + ): # ignore whitespace + xyz[idx, i_atm, :] = [float(l[30:38]), float(l[38:46]), float(l[46:54])] + break + + # save atom mask + mask = np.logical_not(np.isnan(xyz[..., 0])) + xyz[np.isnan(xyz[..., 0])] = 0.0 + + # remove duplicated (chain, resi) + new_idx = [] + i_unique = [] + for i, idx in enumerate(pdb_idx): + if idx not in new_idx: + new_idx.append(idx) + i_unique.append(i) + + pdb_idx = new_idx + xyz = xyz[i_unique] + mask = mask[i_unique] + + seq = np.array(seq)[i_unique] + + out = { + "xyz": xyz, # cartesian coordinates, [Lx14] + "mask": mask, # mask showing which atoms are present in the PDB file, [Lx14] + "idx": np.array( + [i[1] for i in pdb_idx] + ), # residue numbers in the PDB file, [L] + "seq": np.array(seq), # amino acid sequence, [L] + "pdb_idx": pdb_idx, # list of (chain letter, residue number) in the pdb file, [L] + } + + # heteroatoms (ligands, etc) + if parse_hetatom: + xyz_het, info_het = [], [] + for l in lines: + if l[:6] == "HETATM" and not (ignore_het_h and l[77] == "H"): + info_het.append( + dict( + idx=int(l[7:11]), + atom_id=l[12:16], + atom_type=l[77], + name=l[16:20], + ) + ) + xyz_het.append([float(l[30:38]), float(l[38:46]), float(l[46:54])]) + + out["xyz_het"] = np.array(xyz_het) + out["info_het"] = info_het + + return out + + +def process_target(pdb_path, parse_hetatom=False, center=True): + # Read target pdb and extract features. + target_struct = parse_pdb(pdb_path, parse_hetatom=parse_hetatom) + + # Zero-center positions + ca_center = target_struct["xyz"][:, :1, :].mean(axis=0, keepdims=True) + if not center: + ca_center = 0 + xyz = torch.from_numpy(target_struct["xyz"] - ca_center) + seq_orig = torch.from_numpy(target_struct["seq"]) + atom_mask = torch.from_numpy(target_struct["mask"]) + seq_len = len(xyz) + + # Make 27 atom representation + xyz_27 = torch.full((seq_len, 27, 3), np.nan).float() + xyz_27[:, :14, :] = xyz[:, :14, :] + + mask_27 = torch.full((seq_len, 27), False) + mask_27[:, :14] = atom_mask + out = { + "xyz_27": xyz_27, + "mask_27": mask_27, + "seq": seq_orig, + "pdb_idx": target_struct["pdb_idx"], + } + if parse_hetatom: + out["xyz_het"] = target_struct["xyz_het"] + out["info_het"] = target_struct["info_het"] + return out + + +def get_idx0_hotspots(mappings, ppi_conf, binderlen): + """ + Take pdb-indexed hotspot resudes and the length of the binder, and makes the 0-indexed tensor of hotspots + """ + + hotspot_idx = None + if binderlen > 0: + if ppi_conf.hotspot_res is not None: + assert all( + [i[0].isalpha() for i in ppi_conf.hotspot_res] + ), "Hotspot residues need to be provided in pdb-indexed form. E.g. A100,A103" + hotspots = [(i[0], int(i[1:])) for i in ppi_conf.hotspot_res] + hotspot_idx = [] + for i, res in enumerate(mappings["receptor_con_ref_pdb_idx"]): + if res in hotspots: + hotspot_idx.append(mappings["receptor_con_hal_idx0"][i]) + return hotspot_idx + + +class BlockAdjacency: + """ + Class for handling PPI design inference with ss/block_adj inputs. + Basic idea is to provide a list of scaffolds, and to output ss and adjacency + matrices based off of these, while sampling additional lengths. + Inputs: + - scaffold_list: list of scaffolds (e.g. ['2kl8','1cif']). Can also be a .txt file. + - scaffold dir: directory where scaffold ss and adj are precalculated + - sampled_insertion: how many additional residues do you want to add to each loop segment? Randomly sampled 0-this number (or within given range) + - sampled_N: randomly sample up to this number of additional residues at N-term + - sampled_C: randomly sample up to this number of additional residues at C-term + - ss_mask: how many residues do you want to mask at either end of a ss (H or E) block. Fixed value + - num_designs: how many designs are you wanting to generate? Currently only used for bookkeeping + - systematic: do you want to systematically work through the list of scaffolds, or randomly sample (default) + - num_designs_per_input: Not really implemented yet. Maybe not necessary + Outputs: + - L: new length of chain to be diffused + - ss: all loops and insertions, and ends of ss blocks (up to ss_mask) set to mask token (3). Onehot encoded. (L,4) + - adj: block adjacency with equivalent masking as ss (L,L) + """ + + def __init__(self, conf, num_designs): + """ + Parameters: + inputs: + conf.scaffold_list as conf + conf.inference.num_designs for sanity checking + """ + + self.conf=conf + # either list or path to .txt file with list of scaffolds + if self.conf.scaffoldguided.scaffold_list is not None: + if type(self.conf.scaffoldguided.scaffold_list) == list: + self.scaffold_list = scaffold_list + elif self.conf.scaffoldguided.scaffold_list[-4:] == ".txt": + # txt file with list of ids + list_from_file = [] + with open(self.conf.scaffoldguided.scaffold_list, "r") as f: + for line in f: + list_from_file.append(line.strip()) + self.scaffold_list = list_from_file + else: + raise NotImplementedError + else: + self.scaffold_list = [ + os.path.split(i)[1][:-6] + for i in glob.glob(f"{self.conf.scaffoldguided.scaffold_dir}/*_ss.pt") + ] + self.scaffold_list.sort() + + # path to directory with scaffolds, ss files and block_adjacency files + self.scaffold_dir = self.conf.scaffoldguided.scaffold_dir + + # maximum sampled insertion in each loop segment + if "-" in str(self.conf.scaffoldguided.sampled_insertion): + self.sampled_insertion = [ + int(str(self.conf.scaffoldguided.sampled_insertion).split("-")[0]), + int(str(self.conf.scaffoldguided.sampled_insertion).split("-")[1]), + ] + else: + self.sampled_insertion = [0, int(self.conf.scaffoldguided.sampled_insertion)] + + # maximum sampled insertion at N- and C-terminus + if "-" in str(self.conf.scaffoldguided.sampled_N): + self.sampled_N = [ + int(str(self.conf.scaffoldguided.sampled_N).split("-")[0]), + int(str(self.conf.scaffoldguided.sampled_N).split("-")[1]), + ] + else: + self.sampled_N = [0, int(self.conf.scaffoldguided.sampled_N)] + if "-" in str(self.conf.scaffoldguided.sampled_C): + self.sampled_C = [ + int(str(self.conf.scaffoldguided.sampled_C).split("-")[0]), + int(str(self.conf.scaffoldguided.sampled_C).split("-")[1]), + ] + else: + self.sampled_C = [0, int(self.conf.scaffoldguided.sampled_C)] + + # number of residues to mask ss identity of in H/E regions (from junction) + # e.g. if ss_mask = 2, L,L,L,H,H,H,H,H,H,H,L,L,E,E,E,E,E,E,L,L,L,L,L,L would become\ + # M,M,M,M,M,H,H,H,M,M,M,M,M,M,E,E,M,M,M,M,M,M,M,M where M is mask + self.ss_mask = self.conf.scaffoldguided.ss_mask + + # whether or not to work systematically through the list + self.systematic = self.conf.scaffoldguided.systematic + + self.num_designs = num_designs + + if len(self.scaffold_list) > self.num_designs: + print( + "WARNING: Scaffold set is bigger than num_designs, so not every scaffold type will be sampled" + ) + + # for tracking number of designs + self.num_completed = 0 + if self.systematic: + self.item_n = 0 + + # whether to mask loops or not + if not self.conf.scaffoldguided.mask_loops: + assert self.conf.scaffoldguided.sampled_N == 0, "can't add length if not masking loops" + assert self.conf.scaffoldguided.sampled_C == 0, "can't add lemgth if not masking loops" + assert self.conf.scaffoldguided.sampled_insertion == 0, "can't add length if not masking loops" + self.mask_loops = False + else: + self.mask_loops = True + + def get_ss_adj(self, item): + """ + Given at item, get the ss tensor and block adjacency matrix for that item + """ + ss = torch.load(os.path.join(self.scaffold_dir, f'{item.split(".")[0]}_ss.pt')) + adj = torch.load( + os.path.join(self.scaffold_dir, f'{item.split(".")[0]}_adj.pt') + ) + + return ss, adj + + def mask_to_segments(self, mask): + """ + Takes a mask of True (loop) and False (non-loop), and outputs list of tuples (loop or not, length of element) + """ + segments = [] + begin = -1 + end = -1 + for i in range(mask.shape[0]): + # Starting edge case + if i == 0: + begin = 0 + continue + + if not mask[i] == mask[i - 1]: + end = i + if mask[i - 1].item() is True: + segments.append(("loop", end - begin)) + else: + segments.append(("ss", end - begin)) + begin = i + + # Ending edge case: last segment is length one + if not end == mask.shape[0]: + if mask[i].item() is True: + segments.append(("loop", mask.shape[0] - begin)) + else: + segments.append(("ss", mask.shape[0] - begin)) + return segments + + def expand_mask(self, mask, segments): + """ + Function to generate a new mask with dilated loops and N and C terminal additions + """ + N_add = random.randint(self.sampled_N[0], self.sampled_N[1]) + C_add = random.randint(self.sampled_C[0], self.sampled_C[1]) + + output = N_add * [False] + for ss, length in segments: + if ss == "ss": + output.extend(length * [True]) + else: + # randomly sample insertion length + ins = random.randint( + self.sampled_insertion[0], self.sampled_insertion[1] + ) + output.extend((length + ins) * [False]) + output.extend(C_add * [False]) + assert torch.sum(torch.tensor(output)) == torch.sum(~mask) + return torch.tensor(output) + + def expand_ss(self, ss, adj, mask, expanded_mask): + """ + Given an expanded mask, populate a new ss and adj based on this + """ + ss_out = torch.ones(expanded_mask.shape[0]) * 3 # set to mask token + adj_out = torch.full((expanded_mask.shape[0], expanded_mask.shape[0]), 0.0) + ss_out[expanded_mask] = ss[~mask] + expanded_mask_2d = torch.full(adj_out.shape, True) + # mask out loops/insertions, which is ~expanded_mask + expanded_mask_2d[~expanded_mask, :] = False + expanded_mask_2d[:, ~expanded_mask] = False + + mask_2d = torch.full(adj.shape, True) + # mask out loops. This mask is True=loop + mask_2d[mask, :] = False + mask_2d[:, mask] = False + adj_out[expanded_mask_2d] = adj[mask_2d] + adj_out = adj_out.reshape((expanded_mask.shape[0], expanded_mask.shape[0])) + + return ss_out, adj_out + + def mask_ss_adj(self, ss, adj, expanded_mask): + """ + Given an expanded ss and adj, mask some number of residues at either end of non-loop ss + """ + original_mask = torch.clone(expanded_mask) + if self.ss_mask > 0: + for i in range(1, self.ss_mask + 1): + expanded_mask[i:] *= original_mask[:-i] + expanded_mask[:-i] *= original_mask[i:] + + if self.mask_loops: + ss[~expanded_mask] = 3 + adj[~expanded_mask, :] = 0 + adj[:, ~expanded_mask] = 0 + + # mask adjacency + adj[~expanded_mask] = 2 + adj[:, ~expanded_mask] = 2 + + return ss, adj + + def get_scaffold(self): + """ + Wrapper method for pulling an item from the list, and preparing ss and block adj features + """ + + # Handle determinism. Useful for integration tests + if self.conf.inference.deterministic: + torch.manual_seed(self.num_completed) + np.random.seed(self.num_completed) + random.seed(self.num_completed) + + if self.systematic: + # reset if num designs > num_scaffolds + if self.item_n >= len(self.scaffold_list): + self.item_n = 0 + item = self.scaffold_list[self.item_n] + self.item_n += 1 + else: + item = random.choice(self.scaffold_list) + print("Scaffold constrained based on file: ", item) + # load files + ss, adj = self.get_ss_adj(item) + adj_orig = torch.clone(adj) + # separate into segments (loop or not) + mask = torch.where(ss == 2, 1, 0).bool() + segments = self.mask_to_segments(mask) + + # insert into loops to generate new mask + expanded_mask = self.expand_mask(mask, segments) + + # expand ss and adj + ss, adj = self.expand_ss(ss, adj, mask, expanded_mask) + + # finally, mask some proportion of the ss at either end of the non-loop ss blocks + ss, adj = self.mask_ss_adj(ss, adj, expanded_mask) + + # and then update num_completed + self.num_completed += 1 + + return ss.shape[0], torch.nn.functional.one_hot(ss.long(), num_classes=4), adj + + +class Target: + """ + Class to handle targets (fixed chains). + Inputs: + - path to pdb file + - hotspot residues, in the form B10,B12,B60 etc + - whether or not to crop, and with which method + Outputs: + - Dictionary of xyz coordinates, indices, pdb_indices, pdb mask + """ + + def __init__(self, conf: DictConfig, hotspots=None): + self.pdb = parse_pdb(conf.target_path) + + if hotspots is not None: + self.hotspots = hotspots + else: + self.hotspots = [] + self.pdb["hotspots"] = np.array( + [ + True if f"{i[0]}{i[1]}" in self.hotspots else False + for i in self.pdb["pdb_idx"] + ] + ) + + if conf.contig_crop: + self.contig_crop(conf.contig_crop) + + def parse_contig(self, contig_crop): + """ + Takes contig input and parses + """ + contig_list = [] + for contig in contig_crop[0].split(" "): + subcon = [] + for crop in contig.split("/"): + if crop[0].isalpha(): + subcon.extend( + [ + (crop[0], p) + for p in np.arange( + int(crop.split("-")[0][1:]), int(crop.split("-")[1]) + 1 + ) + ] + ) + contig_list.append(subcon) + return contig_list + + def contig_crop(self, contig_crop, residue_offset=200) -> None: + """ + Method to take a contig string referring to the receptor and output a pdb dictionary with just this crop + NB there are two ways to provide inputs: + - 1) e.g. B1-30,0 B50-60,0. This will add a residue offset between each chunk + - 2) e.g. B1-30,B50-60,B80-100. This will keep the original indexing of the pdb file. + Can handle the target being on multiple chains + """ + + # add residue offset between chains if multiple chains in receptor file + for idx, val in enumerate(self.pdb["pdb_idx"]): + if idx != 0 and val != self.pdb["pdb_idx"][idx - 1]: + self.pdb["idx"][idx:] += residue_offset + idx + + # convert contig to mask + contig_list = self.parse_contig(contig_crop) + + # add residue offset to different parts of contig_list + for contig in contig_list[1:]: + start = int(contig[0][1]) + self.pdb["idx"][start:] += residue_offset + # flatten list + contig_list = [i for j in contig_list for i in j] + mask = np.array( + [True if i in contig_list else False for i in self.pdb["pdb_idx"]] + ) + + # sanity check + assert np.sum(self.pdb["hotspots"]) == np.sum( + self.pdb["hotspots"][mask] + ), "Supplied hotspot residues are missing from the target contig!" + # crop pdb + for key, val in self.pdb.items(): + try: + self.pdb[key] = val[mask] + except: + self.pdb[key] = [i for idx, i in enumerate(val) if mask[idx]] + self.pdb["crop_mask"] = mask + + def get_target(self): + return self.pdb diff --git a/RFdiffusion/rfdiffusion/kinematics.py b/RFdiffusion/rfdiffusion/kinematics.py new file mode 100644 index 0000000000000000000000000000000000000000..8d548394ce6f3819297812c622646aa02e4252d6 --- /dev/null +++ b/RFdiffusion/rfdiffusion/kinematics.py @@ -0,0 +1,309 @@ +import numpy as np +import torch +from rfdiffusion.chemical import INIT_CRDS +from rfdiffusion.util import generate_Cbeta + +PARAMS = { + "DMIN" : 2.0, + "DMAX" : 20.0, + "DBINS" : 36, + "ABINS" : 36, +} + +# ============================================================ +def get_pair_dist(a, b): + """calculate pair distances between two sets of points + + Parameters + ---------- + a,b : pytorch tensors of shape [batch,nres,3] + store Cartesian coordinates of two sets of atoms + Returns + ------- + dist : pytorch tensor of shape [batch,nres,nres] + stores paitwise distances between atoms in a and b + """ + + dist = torch.cdist(a, b, p=2) + return dist + +# ============================================================ +def get_ang(a, b, c): + """calculate planar angles for all consecutive triples (a[i],b[i],c[i]) + from Cartesian coordinates of three sets of atoms a,b,c + + Parameters + ---------- + a,b,c : pytorch tensors of shape [batch,nres,3] + store Cartesian coordinates of three sets of atoms + Returns + ------- + ang : pytorch tensor of shape [batch,nres] + stores resulting planar angles + """ + v = a - b + w = c - b + v /= torch.norm(v, dim=-1, keepdim=True) + w /= torch.norm(w, dim=-1, keepdim=True) + vw = torch.sum(v*w, dim=-1) + + return torch.acos(vw) + +# ============================================================ +def get_dih(a, b, c, d): + """calculate dihedral angles for all consecutive quadruples (a[i],b[i],c[i],d[i]) + given Cartesian coordinates of four sets of atoms a,b,c,d + + Parameters + ---------- + a,b,c,d : pytorch tensors or numpy array of shape [batch,nres,3] + store Cartesian coordinates of four sets of atoms + Returns + ------- + dih : pytorch tensor or numpy array of shape [batch,nres] + stores resulting dihedrals + """ + convert_to_torch = lambda *arrays: [torch.from_numpy(arr) for arr in arrays] + output_np=False + if isinstance(a, np.ndarray): + output_np=True + a,b,c,d = convert_to_torch(a,b,c,d) + b0 = a - b + b1 = c - b + b2 = d - c + + b1 /= torch.norm(b1, dim=-1, keepdim=True) + + v = b0 - torch.sum(b0*b1, dim=-1, keepdim=True)*b1 + w = b2 - torch.sum(b2*b1, dim=-1, keepdim=True)*b1 + + x = torch.sum(v*w, dim=-1) + y = torch.sum(torch.cross(b1,v,dim=-1)*w, dim=-1) + output = torch.atan2(y, x) + if output_np: + return output.numpy() + return output + +# ============================================================ +def xyz_to_c6d(xyz, params=PARAMS): + """convert cartesian coordinates into 2d distance + and orientation maps + + Parameters + ---------- + xyz : pytorch tensor of shape [batch,nres,3,3] + stores Cartesian coordinates of backbone N,Ca,C atoms + Returns + ------- + c6d : pytorch tensor of shape [batch,nres,nres,4] + stores stacked dist,omega,theta,phi 2D maps + """ + + batch = xyz.shape[0] + nres = xyz.shape[1] + + # three anchor atoms + N = xyz[:,:,0] + Ca = xyz[:,:,1] + C = xyz[:,:,2] + Cb = generate_Cbeta(N, Ca, C) + + # 6d coordinates order: (dist,omega,theta,phi) + c6d = torch.zeros([batch,nres,nres,4],dtype=xyz.dtype,device=xyz.device) + + dist = get_pair_dist(Cb,Cb) + dist[torch.isnan(dist)] = 999.9 + c6d[...,0] = dist + 999.9*torch.eye(nres,device=xyz.device)[None,...] + b,i,j = torch.where(c6d[...,0]=params['DMAX']] = 999.9 + + mask = torch.zeros((batch, nres,nres), dtype=xyz.dtype, device=xyz.device) + mask[b,i,j] = 1.0 + return c6d, mask + +def xyz_to_t2d(xyz_t, params=PARAMS): + """convert template cartesian coordinates into 2d distance + and orientation maps + + Parameters + ---------- + xyz_t : pytorch tensor of shape [batch,templ,nres,3,3] + stores Cartesian coordinates of template backbone N,Ca,C atoms + + Returns + ------- + t2d : pytorch tensor of shape [batch,nres,nres,37+6+3] + stores stacked dist,omega,theta,phi 2D maps + """ + B, T, L = xyz_t.shape[:3] + c6d, mask = xyz_to_c6d(xyz_t[:,:,:,:3].view(B*T,L,3,3), params=params) + c6d = c6d.view(B, T, L, L, 4) + mask = mask.view(B, T, L, L, 1) + # + # dist to one-hot encoded + dist = dist_to_onehot(c6d[...,0], params) + orien = torch.cat((torch.sin(c6d[...,1:]), torch.cos(c6d[...,1:])), dim=-1)*mask # (B, T, L, L, 6) + # + mask = ~torch.isnan(c6d[:,:,:,:,0]) # (B, T, L, L) + t2d = torch.cat((dist, orien, mask.unsqueeze(-1)), dim=-1) + t2d[torch.isnan(t2d)] = 0.0 + return t2d + +def xyz_to_chi1(xyz_t): + '''convert template cartesian coordinates into chi1 angles + + Parameters + ---------- + xyz_t: pytorch tensor of shape [batch, templ, nres, 14, 3] + stores Cartesian coordinates of template atoms. For missing atoms, it should be NaN + + Returns + ------- + chi1 : pytorch tensor of shape [batch, templ, nres, 2] + stores cos and sin chi1 angle + ''' + B, T, L = xyz_t.shape[:3] + xyz_t = xyz_t.reshape(B*T, L, 14, 3) + + # chi1 angle: N, CA, CB, CG + chi1 = get_dih(xyz_t[:,:,0], xyz_t[:,:,1], xyz_t[:,:,4], xyz_t[:,:,5]) # (B*T, L) + cos_chi1 = torch.cos(chi1) + sin_chi1 = torch.sin(chi1) + mask_chi1 = ~torch.isnan(chi1) + chi1 = torch.stack((cos_chi1, sin_chi1, mask_chi1), dim=-1) # (B*T, L, 3) + chi1[torch.isnan(chi1)] = 0.0 + chi1 = chi1.reshape(B, T, L, 3) + return chi1 + +def xyz_to_bbtor(xyz, params=PARAMS): + batch = xyz.shape[0] + nres = xyz.shape[1] + + # three anchor atoms + N = xyz[:,:,0] + Ca = xyz[:,:,1] + C = xyz[:,:,2] + + # recreate Cb given N,Ca,C + next_N = torch.roll(N, -1, dims=1) + prev_C = torch.roll(C, 1, dims=1) + phi = get_dih(prev_C, N, Ca, C) + psi = get_dih(N, Ca, C, next_N) + # + phi[:,0] = 0.0 + psi[:,-1] = 0.0 + # + astep = 2.0*np.pi / params['ABINS'] + phi_bin = torch.round((phi+np.pi-astep/2)/astep) + psi_bin = torch.round((psi+np.pi-astep/2)/astep) + return torch.stack([phi_bin, psi_bin], axis=-1).long() + +# ============================================================ +def dist_to_onehot(dist, params=PARAMS): + dist[torch.isnan(dist)] = 999.9 + dstep = (params['DMAX'] - params['DMIN']) / params['DBINS'] + dbins = torch.linspace(params['DMIN']+dstep, params['DMAX'], params['DBINS'],dtype=dist.dtype,device=dist.device) + db = torch.bucketize(dist.contiguous(),dbins).long() + dist = torch.nn.functional.one_hot(db, num_classes=params['DBINS']+1).float() + return dist + +def c6d_to_bins(c6d,params=PARAMS): + """bin 2d distance and orientation maps + """ + + dstep = (params['DMAX'] - params['DMIN']) / params['DBINS'] + astep = 2.0*np.pi / params['ABINS'] + + dbins = torch.linspace(params['DMIN']+dstep, params['DMAX'], params['DBINS'],dtype=c6d.dtype,device=c6d.device) + ab360 = torch.linspace(-np.pi+astep, np.pi, params['ABINS'],dtype=c6d.dtype,device=c6d.device) + ab180 = torch.linspace(astep, np.pi, params['ABINS']//2,dtype=c6d.dtype,device=c6d.device) + + db = torch.bucketize(c6d[...,0].contiguous(),dbins) + ob = torch.bucketize(c6d[...,1].contiguous(),ab360) + tb = torch.bucketize(c6d[...,2].contiguous(),ab360) + pb = torch.bucketize(c6d[...,3].contiguous(),ab180) + + ob[db==params['DBINS']] = params['ABINS'] + tb[db==params['DBINS']] = params['ABINS'] + pb[db==params['DBINS']] = params['ABINS']//2 + + return torch.stack([db,ob,tb,pb],axis=-1).to(torch.uint8) + + +# ============================================================ +def dist_to_bins(dist,params=PARAMS): + """bin 2d distance maps + """ + + dstep = (params['DMAX'] - params['DMIN']) / params['DBINS'] + db = torch.round((dist-params['DMIN']-dstep/2)/dstep) + + db[db<0] = 0 + db[db>params['DBINS']] = params['DBINS'] + + return db.long() + + +# ============================================================ +def c6d_to_bins2(c6d, same_chain, negative=False, params=PARAMS): + """bin 2d distance and orientation maps + """ + + dstep = (params['DMAX'] - params['DMIN']) / params['DBINS'] + astep = 2.0*np.pi / params['ABINS'] + + db = torch.round((c6d[...,0]-params['DMIN']-dstep/2)/dstep) + ob = torch.round((c6d[...,1]+np.pi-astep/2)/astep) + tb = torch.round((c6d[...,2]+np.pi-astep/2)/astep) + pb = torch.round((c6d[...,3]-astep/2)/astep) + + # put all dparams['DBINS']] = params['DBINS'] + ob[db==params['DBINS']] = params['ABINS'] + tb[db==params['DBINS']] = params['ABINS'] + pb[db==params['DBINS']] = params['ABINS']//2 + + if negative: + db = torch.where(same_chain.bool(), db.long(), params['DBINS']) + ob = torch.where(same_chain.bool(), ob.long(), params['ABINS']) + tb = torch.where(same_chain.bool(), tb.long(), params['ABINS']) + pb = torch.where(same_chain.bool(), pb.long(), params['ABINS']//2) + + return torch.stack([db,ob,tb,pb],axis=-1).long() + +def get_init_xyz(xyz_t): + # input: xyz_t (B, T, L, 14, 3) + # ouput: xyz (B, T, L, 14, 3) + B, T, L = xyz_t.shape[:3] + init = INIT_CRDS.to(xyz_t.device).reshape(1,1,1,27,3).repeat(B,T,L,1,1) + if torch.isnan(xyz_t).all(): + return init + + mask = torch.isnan(xyz_t[:,:,:,:3]).any(dim=-1).any(dim=-1) # (B, T, L) + # + center_CA = ((~mask[:,:,:,None]) * torch.nan_to_num(xyz_t[:,:,:,1,:])).sum(dim=2) / ((~mask[:,:,:,None]).sum(dim=2)+1e-4) # (B, T, 3) + xyz_t = xyz_t - center_CA.view(B,T,1,1,3) + # + idx_s = list() + for i_b in range(B): + for i_T in range(T): + if mask[i_b, i_T].all(): + continue + exist_in_templ = torch.where(~mask[i_b, i_T])[0] # (L_sub) + seqmap = (torch.arange(L, device=xyz_t.device)[:,None] - exist_in_templ[None,:]).abs() # (L, L_sub) + seqmap = torch.argmin(seqmap, dim=-1) # (L) + idx = torch.gather(exist_in_templ, -1, seqmap) # (L) + offset_CA = torch.gather(xyz_t[i_b, i_T, :, 1, :], 0, idx.reshape(L,1).expand(-1,3)) + init[i_b,i_T] += offset_CA.reshape(L,1,3) + # + xyz = torch.where(mask.view(B, T, L, 1, 1), init, xyz_t) + return xyz diff --git a/RFdiffusion/rfdiffusion/model_input_logger.py b/RFdiffusion/rfdiffusion/model_input_logger.py new file mode 100644 index 0000000000000000000000000000000000000000..bb41433252913c7cc6e7f289d18453fbc665be6e --- /dev/null +++ b/RFdiffusion/rfdiffusion/model_input_logger.py @@ -0,0 +1,71 @@ +import traceback +import os +from inspect import signature +import pickle +import datetime + +def pickle_function_call_wrapper(func, output_dir='pickled_inputs'): + i = 0 + os.makedirs(output_dir) + # pickle.dump({'args': args, 'kwargs': kwargs}, fh) + def wrapper(*args, **kwargs): + """ + Wrap the original function call to print the arguments before + calling the intended function + """ + nonlocal i + i += 1 + func_sig = signature(func) + # Create the argument binding so we can determine what + # parameters are given what values + argument_binding = func_sig.bind(*args, **kwargs) + argument_map = argument_binding.arguments + + # Perform the print so that it shows the function name + # and arguments as a dictionary + path = os.path.join(output_dir, f'{i:05d}.pkl') + print(f"logging {func.__name__} arguments: {[k for k in argument_map]} to {path}") + argument_map['stack'] = traceback.format_stack() + + for k, v in argument_map.items(): + if hasattr(v, 'detach'): + argument_map[k] = v.cpu().detach() + with open(path, 'wb') as fh: + pickle.dump(argument_map, fh) + + return func(*args, **kwargs) + + return wrapper + +def wrap_it(wrapper, instance, method, **kwargs): + class_method = getattr(instance, method) + wrapped_method = wrapper(class_method, **kwargs) + setattr(instance, method, wrapped_method) + + + +def pickle_function_call(instance, method, subdir): + output_dir = os.path.join(os.getcwd(), 'pickled_inputs', subdir, datetime.datetime.now().strftime("%Y-%m-%d-%H-%M-%S")) + wrap_it(pickle_function_call_wrapper, instance, method, output_dir=output_dir) + return output_dir + +# For testing +if __name__=='__main__': + import glob + class Dog: + def __init__(self, name): + self.name = name + def bark(self, arg, kwarg=None): + print(f'{self.name}:{arg}:{kwarg}') + + dog = Dog('fido') + dog.bark('ruff') + + output_dir = pickle_function_call(dog, 'bark', 'debugging') + + dog.bark('ruff', kwarg='wooof') + + for p in glob.glob(os.path.join(output_dir, '*')): + print(p) + with open(p, 'rb') as fh: + print(pickle.load(fh)) diff --git a/RFdiffusion/rfdiffusion/potentials/__init__.py b/RFdiffusion/rfdiffusion/potentials/__init__.py new file mode 100644 index 0000000000000000000000000000000000000000..e69de29bb2d1d6434b8b29ae775ad8c2e48c5391 diff --git a/RFdiffusion/rfdiffusion/potentials/__pycache__/__init__.cpython-311.pyc b/RFdiffusion/rfdiffusion/potentials/__pycache__/__init__.cpython-311.pyc new file mode 100644 index 0000000000000000000000000000000000000000..0b66d02b1932e009cdfccae16de7e18021a6fb2e Binary files /dev/null and b/RFdiffusion/rfdiffusion/potentials/__pycache__/__init__.cpython-311.pyc differ diff --git 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a/RFdiffusion/rfdiffusion/potentials/manager.py b/RFdiffusion/rfdiffusion/potentials/manager.py new file mode 100644 index 0000000000000000000000000000000000000000..98b0d5eb7dc8f17298edc0a869e1694558019e55 --- /dev/null +++ b/RFdiffusion/rfdiffusion/potentials/manager.py @@ -0,0 +1,208 @@ +import torch +from rfdiffusion.potentials import potentials as potentials +import numpy as np + + +def make_contact_matrix(nchain, intra_all=False, inter_all=False, contact_string=None): + """ + Calculate a matrix of inter/intra chain contact indicators + + Parameters: + nchain (int, required): How many chains are in this design + + contact_str (str, optional): String denoting how to define contacts, comma delimited between pairs of chains + '!' denotes repulsive, '&' denotes attractive + """ + alphabet = [a for a in 'ABCDEFGHIJKLMNOPQRSTUVWXYZ'] + letter2num = {a:i for i,a in enumerate(alphabet)} + + contacts = np.zeros((nchain,nchain)) + written = np.zeros((nchain,nchain)) + + + # intra_all - everything on the diagonal has contact potential + if intra_all: + contacts[np.arange(nchain),np.arange(nchain)] = 1 + + # inter all - everything off the diagonal has contact potential + if inter_all: + mask2d = np.full_like(contacts,False) + for i in range(len(contacts)): + for j in range(len(contacts)): + if i!=j: + mask2d[i,j] = True + + contacts[mask2d.astype(bool)] = 1 + + + # custom contacts/repulsions from user + if contact_string != None: + contact_list = contact_string.split(',') + for c in contact_list: + assert len(c) == 3 + i,j = letter2num[c[0]],letter2num[c[2]] + + symbol = c[1] + + assert symbol in ['!','&'] + if symbol == '!': + contacts[i,j] = -1 + contacts[j,i] = -1 + else: + contacts[i,j] = 1 + contacts[j,i] = 1 + + return contacts + + +def calc_nchains(symbol, components=1): + """ + Calculates number of chains for given symmetry + """ + S = symbol.lower() + + if S.startswith('c'): + return int(S[1:])*components + elif S.startswith('d'): + return 2*int(S[1:])*components + elif S.startswith('o'): + raise NotImplementedError() + elif S.startswith('t'): + return 12*components + else: + raise RuntimeError('Unknown symmetry symbol ',S) + + +class PotentialManager: + ''' + Class to define a set of potentials from the given config object and to apply all of the specified potentials + during each cycle of the inference loop. + + Author: NRB + ''' + + def __init__(self, + potentials_config, + ppi_config, + diffuser_config, + inference_config, + hotspot_0idx, + binderlen, + ): + + self.potentials_config = potentials_config + self.ppi_config = ppi_config + self.inference_config = inference_config + + self.guide_scale = potentials_config.guide_scale + self.guide_decay = potentials_config.guide_decay + + if potentials_config.guiding_potentials is None: + setting_list = [] + else: + setting_list = [self.parse_potential_string(potstr) for potstr in potentials_config.guiding_potentials] + + + # PPI potentials require knowledge about the binderlen which may be detected at runtime + # This is a mechanism to still allow this info to be used in potentials - NRB + if binderlen > 0: + binderlen_update = { 'binderlen': binderlen } + hotspot_res_update = { 'hotspot_res': hotspot_0idx } + + for setting in setting_list: + if setting['type'] in potentials.require_binderlen: + setting.update(binderlen_update) + + self.potentials_to_apply = self.initialize_all_potentials(setting_list) + self.T = diffuser_config.T + + def is_empty(self): + ''' + Check whether this instance of PotentialManager actually contains any potentials + ''' + + return len(self.potentials_to_apply) == 0 + + def parse_potential_string(self, potstr): + ''' + Parse a single entry in the list of potentials to be run to a dictionary of settings for that potential. + + An example of how this parsing is done: + 'setting1:val1,setting2:val2,setting3:val3' -> {setting1:val1,setting2:val2,setting3:val3} + ''' + + setting_dict = {entry.split(':')[0]:entry.split(':')[1] for entry in potstr.split(',')} + + for key in setting_dict: + if not key == 'type': setting_dict[key] = float(setting_dict[key]) + + return setting_dict + + def initialize_all_potentials(self, setting_list): + ''' + Given a list of potential dictionaries where each dictionary defines the configurations for a single potential, + initialize all potentials and add to the list of potentials to be applies + ''' + + to_apply = [] + + for potential_dict in setting_list: + assert(potential_dict['type'] in potentials.implemented_potentials), f'potential with name: {potential_dict["type"]} is not one of the implemented potentials: {potentials.implemented_potentials.keys()}' + + kwargs = {k: potential_dict[k] for k in potential_dict.keys() - {'type'}} + + # symmetric oligomer contact potential args + if self.inference_config.symmetry: + + num_chains = calc_nchains(symbol=self.inference_config.symmetry, components=1) # hard code 1 for now + contact_kwargs={'nchain':num_chains, + 'intra_all':self.potentials_config.olig_intra_all, + 'inter_all':self.potentials_config.olig_inter_all, + 'contact_string':self.potentials_config.olig_custom_contact } + contact_matrix = make_contact_matrix(**contact_kwargs) + kwargs.update({'contact_matrix':contact_matrix}) + + + to_apply.append(potentials.implemented_potentials[potential_dict['type']](**kwargs)) + + return to_apply + + def compute_all_potentials(self, xyz): + ''' + This is the money call. Take the current sequence and structure information and get the sum of all of the potentials that are being used + ''' + + potential_list = [potential.compute(xyz) for potential in self.potentials_to_apply] + potential_stack = torch.stack(potential_list, dim=0) + + return torch.sum(potential_stack, dim=0) + + def get_guide_scale(self, t): + ''' + Given a timestep and a decay type, get the appropriate scale factor to use for applying guiding potentials + + Inputs: + + t (int, required): The current timestep + + Output: + + scale (int): The scale factor to use for applying guiding potentials + + ''' + + implemented_decay_types = { + 'constant': lambda t: self.guide_scale, + # Linear interpolation with y2: 0, y1: guide_scale, x2: 0, x1: T, x: t + 'linear' : lambda t: t/self.T * self.guide_scale, + 'quadratic' : lambda t: t**2/self.T**2 * self.guide_scale, + 'cubic' : lambda t: t**3/self.T**3 * self.guide_scale + } + + if self.guide_decay not in implemented_decay_types: + sys.exit(f'decay_type must be one of {implemented_decay_types.keys()}. Received decay_type={self.guide_decay}. Exiting.') + + return implemented_decay_types[self.guide_decay](t) + + + diff --git a/RFdiffusion/rfdiffusion/potentials/potentials.py b/RFdiffusion/rfdiffusion/potentials/potentials.py new file mode 100644 index 0000000000000000000000000000000000000000..b43a2a6b5425e51f0da8c5e233216412ad32ab8d --- /dev/null +++ b/RFdiffusion/rfdiffusion/potentials/potentials.py @@ -0,0 +1,475 @@ +import torch +import numpy as np +from rfdiffusion.util import generate_Cbeta + +class Potential: + ''' + Interface class that defines the functions a potential must implement + ''' + + def compute(self, xyz): + ''' + Given the current structure of the model prediction, return the current + potential as a PyTorch tensor with a single entry + + Args: + xyz (torch.tensor, size: [L,27,3]: The current coordinates of the sample + + Returns: + potential (torch.tensor, size: [1]): A potential whose value will be MAXIMIZED + by taking a step along it's gradient + ''' + raise NotImplementedError('Potential compute function was not overwritten') + +class monomer_ROG(Potential): + ''' + Radius of Gyration potential for encouraging monomer compactness + + Written by DJ and refactored into a class by NRB + ''' + + def __init__(self, weight=1, min_dist=15): + + self.weight = weight + self.min_dist = min_dist + + def compute(self, xyz): + Ca = xyz[:,1] # [L,3] + + centroid = torch.mean(Ca, dim=0, keepdim=True) # [1,3] + + dgram = torch.cdist(Ca[None,...].contiguous(), centroid[None,...].contiguous(), p=2) # [1,L,1,3] + + dgram = torch.maximum(self.min_dist * torch.ones_like(dgram.squeeze(0)), dgram.squeeze(0)) # [L,1,3] + + rad_of_gyration = torch.sqrt( torch.sum(torch.square(dgram)) / Ca.shape[0] ) # [1] + + return -1 * self.weight * rad_of_gyration + +class binder_ROG(Potential): + ''' + Radius of Gyration potential for encouraging binder compactness + + Author: NRB + ''' + + def __init__(self, binderlen, weight=1, min_dist=15): + + self.binderlen = binderlen + self.min_dist = min_dist + self.weight = weight + + def compute(self, xyz): + + # Only look at binder residues + Ca = xyz[:self.binderlen,1] # [Lb,3] + + centroid = torch.mean(Ca, dim=0, keepdim=True) # [1,3] + + # cdist needs a batch dimension - NRB + dgram = torch.cdist(Ca[None,...].contiguous(), centroid[None,...].contiguous(), p=2) # [1,Lb,1,3] + + dgram = torch.maximum(self.min_dist * torch.ones_like(dgram.squeeze(0)), dgram.squeeze(0)) # [Lb,1,3] + + rad_of_gyration = torch.sqrt( torch.sum(torch.square(dgram)) / Ca.shape[0] ) # [1] + + return -1 * self.weight * rad_of_gyration + + +class dimer_ROG(Potential): + ''' + Radius of Gyration potential for encouraging compactness of both monomers when designing dimers + + Author: PV + ''' + + def __init__(self, binderlen, weight=1, min_dist=15): + + self.binderlen = binderlen + self.min_dist = min_dist + self.weight = weight + + def compute(self, xyz): + + # Only look at monomer 1 residues + Ca_m1 = xyz[:self.binderlen,1] # [Lb,3] + + # Only look at monomer 2 residues + Ca_m2 = xyz[self.binderlen:,1] # [Lb,3] + + centroid_m1 = torch.mean(Ca_m1, dim=0, keepdim=True) # [1,3] + centroid_m2 = torch.mean(Ca_m1, dim=0, keepdim=True) # [1,3] + + # cdist needs a batch dimension - NRB + #This calculates RoG for Monomer 1 + dgram_m1 = torch.cdist(Ca_m1[None,...].contiguous(), centroid_m1[None,...].contiguous(), p=2) # [1,Lb,1,3] + dgram_m1 = torch.maximum(self.min_dist * torch.ones_like(dgram_m1.squeeze(0)), dgram_m1.squeeze(0)) # [Lb,1,3] + rad_of_gyration_m1 = torch.sqrt( torch.sum(torch.square(dgram_m1)) / Ca_m1.shape[0] ) # [1] + + # cdist needs a batch dimension - NRB + #This calculates RoG for Monomer 2 + dgram_m2 = torch.cdist(Ca_m2[None,...].contiguous(), centroid_m2[None,...].contiguous(), p=2) # [1,Lb,1,3] + dgram_m2 = torch.maximum(self.min_dist * torch.ones_like(dgram_m2.squeeze(0)), dgram_m2.squeeze(0)) # [Lb,1,3] + rad_of_gyration_m2 = torch.sqrt( torch.sum(torch.square(dgram_m2)) / Ca_m2.shape[0] ) # [1] + + #Potential value is the average of both radii of gyration (is avg. the best way to do this?) + return -1 * self.weight * (rad_of_gyration_m1 + rad_of_gyration_m2)/2 + +class binder_ncontacts(Potential): + ''' + Differentiable way to maximise number of contacts within a protein + + Motivation is given here: https://www.plumed.org/doc-v2.7/user-doc/html/_c_o_o_r_d_i_n_a_t_i_o_n.html + + ''' + + def __init__(self, binderlen, weight=1, r_0=8, d_0=4): + + self.binderlen = binderlen + self.r_0 = r_0 + self.weight = weight + self.d_0 = d_0 + + def compute(self, xyz): + + # Only look at binder Ca residues + Ca = xyz[:self.binderlen,1] # [Lb,3] + + #cdist needs a batch dimension - NRB + dgram = torch.cdist(Ca[None,...].contiguous(), Ca[None,...].contiguous(), p=2) # [1,Lb,Lb] + divide_by_r_0 = (dgram - self.d_0) / self.r_0 + numerator = torch.pow(divide_by_r_0,6) + denominator = torch.pow(divide_by_r_0,12) + binder_ncontacts = (1 - numerator) / (1 - denominator) + + print("BINDER CONTACTS:", binder_ncontacts.sum()) + #Potential value is the average of both radii of gyration (is avg. the best way to do this?) + return self.weight * binder_ncontacts.sum() + +class interface_ncontacts(Potential): + + ''' + Differentiable way to maximise number of contacts between binder and target + + Motivation is given here: https://www.plumed.org/doc-v2.7/user-doc/html/_c_o_o_r_d_i_n_a_t_i_o_n.html + + Author: PV + ''' + + + def __init__(self, binderlen, weight=1, r_0=8, d_0=6): + + self.binderlen = binderlen + self.r_0 = r_0 + self.weight = weight + self.d_0 = d_0 + + def compute(self, xyz): + + # Extract binder Ca residues + Ca_b = xyz[:self.binderlen,1] # [Lb,3] + + # Extract target Ca residues + Ca_t = xyz[self.binderlen:,1] # [Lt,3] + + #cdist needs a batch dimension - NRB + dgram = torch.cdist(Ca_b[None,...].contiguous(), Ca_t[None,...].contiguous(), p=2) # [1,Lb,Lt] + divide_by_r_0 = (dgram - self.d_0) / self.r_0 + numerator = torch.pow(divide_by_r_0,6) + denominator = torch.pow(divide_by_r_0,12) + interface_ncontacts = (1 - numerator) / (1 - denominator) + #Potential is the sum of values in the tensor + interface_ncontacts = interface_ncontacts.sum() + + print("INTERFACE CONTACTS:", interface_ncontacts.sum()) + + return self.weight * interface_ncontacts + + +class monomer_contacts(Potential): + ''' + Differentiable way to maximise number of contacts within a protein + + Motivation is given here: https://www.plumed.org/doc-v2.7/user-doc/html/_c_o_o_r_d_i_n_a_t_i_o_n.html + Author: PV + + NOTE: This function sometimes produces NaN's -- added check in reverse diffusion for nan grads + ''' + + def __init__(self, weight=1, r_0=8, d_0=2, eps=1e-6): + + self.r_0 = r_0 + self.weight = weight + self.d_0 = d_0 + self.eps = eps + + def compute(self, xyz): + + Ca = xyz[:,1] # [L,3] + + #cdist needs a batch dimension - NRB + dgram = torch.cdist(Ca[None,...].contiguous(), Ca[None,...].contiguous(), p=2) # [1,Lb,Lb] + divide_by_r_0 = (dgram - self.d_0) / self.r_0 + numerator = torch.pow(divide_by_r_0,6) + denominator = torch.pow(divide_by_r_0,12) + + ncontacts = (1 - numerator) / ((1 - denominator)) + + + #Potential value is the average of both radii of gyration (is avg. the best way to do this?) + return self.weight * ncontacts.sum() + + +class olig_contacts(Potential): + """ + Applies PV's num contacts potential within/between chains in symmetric oligomers + + Author: DJ + """ + + def __init__(self, + contact_matrix, + weight_intra=1, + weight_inter=1, + r_0=8, d_0=2): + """ + Parameters: + chain_lengths (list, required): List of chain lengths, length is (Nchains) + + contact_matrix (torch.tensor/np.array, required): + square matrix of shape (Nchains,Nchains) whose (i,j) enry represents + attractive (1), repulsive (-1), or non-existent (0) contact potentials + between chains in the complex + + weight (int/float, optional): Scaling/weighting factor + """ + self.contact_matrix = contact_matrix + self.weight_intra = weight_intra + self.weight_inter = weight_inter + self.r_0 = r_0 + self.d_0 = d_0 + + # check contact matrix only contains valid entries + assert all([i in [-1,0,1] for i in contact_matrix.flatten()]), 'Contact matrix must contain only 0, 1, or -1 in entries' + # assert the matrix is square and symmetric + shape = contact_matrix.shape + assert len(shape) == 2 + assert shape[0] == shape[1] + for i in range(shape[0]): + for j in range(shape[1]): + assert contact_matrix[i,j] == contact_matrix[j,i] + self.nchain=shape[0] + + + def _get_idx(self,i,L): + """ + Returns the zero-indexed indices of the residues in chain i + """ + assert L%self.nchain == 0 + Lchain = L//self.nchain + return i*Lchain + torch.arange(Lchain) + + + def compute(self, xyz): + """ + Iterate through the contact matrix, compute contact potentials between chains that need it, + and negate contacts for any + """ + L = xyz.shape[0] + + all_contacts = 0 + start = 0 + for i in range(self.nchain): + for j in range(self.nchain): + # only compute for upper triangle, disregard zeros in contact matrix + if (i <= j) and (self.contact_matrix[i,j] != 0): + + # get the indices for these two chains + idx_i = self._get_idx(i,L) + idx_j = self._get_idx(j,L) + + Ca_i = xyz[idx_i,1] # slice out crds for this chain + Ca_j = xyz[idx_j,1] # slice out crds for that chain + dgram = torch.cdist(Ca_i[None,...].contiguous(), Ca_j[None,...].contiguous(), p=2) # [1,Lb,Lb] + + divide_by_r_0 = (dgram - self.d_0) / self.r_0 + numerator = torch.pow(divide_by_r_0,6) + denominator = torch.pow(divide_by_r_0,12) + ncontacts = (1 - numerator) / (1 - denominator) + + # weight, don't double count intra + scalar = (i==j)*self.weight_intra/2 + (i!=j)*self.weight_inter + + # contacts attr/repuls relative weights + all_contacts += ncontacts.sum() * self.contact_matrix[i,j] * scalar + + return all_contacts + +def get_damped_lj(r_min, r_lin,p1=6,p2=12): + + y_at_r_lin = lj(r_lin, r_min, p1, p2) + ydot_at_r_lin = lj_grad(r_lin, r_min,p1,p2) + + def inner(dgram): + return (dgram < r_lin) * (ydot_at_r_lin * (dgram - r_lin) + y_at_r_lin) + (dgram >= r_lin) * lj(dgram, r_min, p1, p2) + return inner + +def lj(dgram, r_min,p1=6, p2=12): + return 4 * ((r_min / (2**(1/p1) * dgram))**p2 - (r_min / (2**(1/p1) * dgram))**p1) + +def lj_grad(dgram, r_min,p1=6,p2=12): + return -p2 * r_min**p1*(r_min**p1-dgram**p1) / (dgram**(p2+1)) + +def mask_expand(mask, n=1): + mask_out = mask.clone() + assert mask.ndim == 1 + for i in torch.where(mask)[0]: + for j in range(i-n, i+n+1): + if j >= 0 and j < len(mask): + mask_out[j] = True + return mask_out + +def contact_energy(dgram, d_0, r_0): + divide_by_r_0 = (dgram - d_0) / r_0 + numerator = torch.pow(divide_by_r_0,6) + denominator = torch.pow(divide_by_r_0,12) + + ncontacts = (1 - numerator) / ((1 - denominator)).float() + return - ncontacts + +def poly_repulse(dgram, r, slope, p=1): + a = slope / (p * r**(p-1)) + + return (dgram < r) * a * torch.abs(r - dgram)**p * slope + +#def only_top_n(dgram + + +class substrate_contacts(Potential): + ''' + Implicitly models a ligand with an attractive-repulsive potential. + ''' + + def __init__(self, weight=1, r_0=8, d_0=2, s=1, eps=1e-6, rep_r_0=5, rep_s=2, rep_r_min=1): + + self.r_0 = r_0 + self.weight = weight + self.d_0 = d_0 + self.eps = eps + + # motif frame coordinates + # NOTE: these probably need to be set after sample_init() call, because the motif sequence position in design must be known + self.motif_frame = None # [4,3] xyz coordinates from 4 atoms of input motif + self.motif_mapping = None # list of tuples giving positions of above atoms in design [(resi, atom_idx)] + self.motif_substrate_atoms = None # xyz coordinates of substrate from input motif + r_min = 2 + self.energies = [] + self.energies.append(lambda dgram: s * contact_energy(torch.min(dgram, dim=-1)[0], d_0, r_0)) + if rep_r_min: + self.energies.append(lambda dgram: poly_repulse(torch.min(dgram, dim=-1)[0], rep_r_0, rep_s, p=1.5)) + else: + self.energies.append(lambda dgram: poly_repulse(dgram, rep_r_0, rep_s, p=1.5)) + + + def compute(self, xyz): + + # First, get random set of atoms + # This operates on self.xyz_motif, which is assigned to this class in the model runner (for horrible plumbing reasons) + self._grab_motif_residues(self.xyz_motif) + + # for checking affine transformation is corect + first_distance = torch.sqrt(torch.sqrt(torch.sum(torch.square(self.motif_substrate_atoms[0] - self.motif_frame[0]), dim=-1))) + + # grab the coordinates of the corresponding atoms in the new frame using mapping + res = torch.tensor([k[0] for k in self.motif_mapping]) + atoms = torch.tensor([k[1] for k in self.motif_mapping]) + new_frame = xyz[self.diffusion_mask][res,atoms,:] + # calculate affine transformation matrix and translation vector b/w new frame and motif frame + A, t = self._recover_affine(self.motif_frame, new_frame) + # apply affine transformation to substrate atoms + substrate_atoms = torch.mm(A, self.motif_substrate_atoms.transpose(0,1)).transpose(0,1) + t + second_distance = torch.sqrt(torch.sqrt(torch.sum(torch.square(new_frame[0] - substrate_atoms[0]), dim=-1))) + assert abs(first_distance - second_distance) < 0.01, "Alignment seems to be bad" + diffusion_mask = mask_expand(self.diffusion_mask, 1) + Ca = xyz[~diffusion_mask, 1] + + #cdist needs a batch dimension - NRB + dgram = torch.cdist(Ca[None,...].contiguous(), substrate_atoms.float()[None], p=2)[0] # [Lb,Lb] + + all_energies = [] + for i, energy_fn in enumerate(self.energies): + energy = energy_fn(dgram) + all_energies.append(energy.sum()) + return - self.weight * sum(all_energies) + + #Potential value is the average of both radii of gyration (is avg. the best way to do this?) + return self.weight * ncontacts.sum() + + def _recover_affine(self,frame1, frame2): + """ + Uses Simplex Affine Matrix (SAM) formula to recover affine transform between two sets of 4 xyz coordinates + See: https://www.researchgate.net/publication/332410209_Beginner%27s_guide_to_mapping_simplexes_affinely + + Args: + frame1 - 4 coordinates from starting frame [4,3] + frame2 - 4 coordinates from ending frame [4,3] + + Outputs: + A - affine transformation matrix from frame1->frame2 + t - affine translation vector from frame1->frame2 + """ + + l = len(frame1) + # construct SAM denominator matrix + B = torch.vstack([frame1.T, torch.ones(l)]) + D = 1.0 / torch.linalg.det(B) # SAM denominator + + M = torch.zeros((3,4), dtype=torch.float64) + for i, R in enumerate(frame2.T): + for j in range(l): + num = torch.vstack([R, B]) + # make SAM numerator matrix + num = torch.cat((num[:j+1],num[j+2:])) # make numerator matrix + # calculate SAM entry + M[i][j] = (-1)**j * D * torch.linalg.det(num) + + A, t = torch.hsplit(M, [l-1]) + t = t.transpose(0,1) + return A, t + + def _grab_motif_residues(self, xyz) -> None: + """ + Grabs 4 atoms in the motif. + Currently random subset of Ca atoms if the motif is >= 4 residues, or else 4 random atoms from a single residue + """ + idx = torch.arange(self.diffusion_mask.shape[0]) + idx = idx[self.diffusion_mask].float() + if torch.sum(self.diffusion_mask) >= 4: + rand_idx = torch.multinomial(idx, 4).long() + # get Ca atoms + self.motif_frame = xyz[rand_idx, 1] + self.motif_mapping = [(i,1) for i in rand_idx] + else: + rand_idx = torch.multinomial(idx, 1).long() + self.motif_frame = xyz[rand_idx[0],:4] + self.motif_mapping = [(rand_idx, i) for i in range(4)] + +# Dictionary of types of potentials indexed by name of potential. Used by PotentialManager. +# If you implement a new potential you must add it to this dictionary for it to be used by +# the PotentialManager +implemented_potentials = { 'monomer_ROG': monomer_ROG, + 'binder_ROG': binder_ROG, + 'dimer_ROG': dimer_ROG, + 'binder_ncontacts': binder_ncontacts, + 'interface_ncontacts': interface_ncontacts, + 'monomer_contacts': monomer_contacts, + 'olig_contacts': olig_contacts, + 'substrate_contacts': substrate_contacts} + +require_binderlen = { 'binder_ROG', + 'binder_distance_ReLU', + 'binder_any_ReLU', + 'dimer_ROG', + 'binder_ncontacts', + 'interface_ncontacts'} + diff --git a/RFdiffusion/rfdiffusion/scoring.py b/RFdiffusion/rfdiffusion/scoring.py new file mode 100644 index 0000000000000000000000000000000000000000..21377f66cec15b7b01c23031f9b5b5357cf38e38 --- /dev/null +++ b/RFdiffusion/rfdiffusion/scoring.py @@ -0,0 +1,300 @@ + +## +## lk and lk term +#(LJ_RADIUS LJ_WDEPTH LK_DGFREE LK_LAMBDA LK_VOLUME) +type2ljlk = { + "CNH2":(1.968297,0.094638,3.077030,3.5000,13.500000), + "COO":(1.916661,0.141799,-3.332648,3.5000,14.653000), + "CH0":(2.011760,0.062642,1.409284,3.5000,8.998000), + "CH1":(2.011760,0.062642,-3.538387,3.5000,10.686000), + "CH2":(2.011760,0.062642,-1.854658,3.5000,18.331000), + "CH3":(2.011760,0.062642,7.292929,3.5000,25.855000), + "aroC":(2.016441,0.068775,1.797950,3.5000,16.704000), + "Ntrp":(1.802452,0.161725,-8.413116,3.5000,9.522100), + "Nhis":(1.802452,0.161725,-9.739606,3.5000,9.317700), + "NtrR":(1.802452,0.161725,-5.158080,3.5000,9.779200), + "NH2O":(1.802452,0.161725,-8.101638,3.5000,15.689000), + "Nlys":(1.802452,0.161725,-20.864641,3.5000,16.514000), + "Narg":(1.802452,0.161725,-8.968351,3.5000,15.717000), + "Npro":(1.802452,0.161725,-0.984585,3.5000,3.718100), + "OH":(1.542743,0.161947,-8.133520,3.5000,10.722000), + "OHY":(1.542743,0.161947,-8.133520,3.5000,10.722000), + "ONH2":(1.548662,0.182924,-6.591644,3.5000,10.102000), + "OOC":(1.492871,0.099873,-9.239832,3.5000,9.995600), + "S":(1.975967,0.455970,-1.707229,3.5000,17.640000), + "SH1":(1.975967,0.455970,3.291643,3.5000,23.240000), + "Nbb":(1.802452,0.161725,-9.969494,3.5000,15.992000), + "CAbb":(2.011760,0.062642,2.533791,3.5000,12.137000), + "CObb":(1.916661,0.141799,3.104248,3.5000,13.221000), + "OCbb":(1.540580,0.142417,-8.006829,3.5000,12.196000), + "HNbb":(0.901681,0.005000,0.0000,3.5000,0.0000), + "Hapo":(1.421272,0.021808,0.0000,3.5000,0.0000), + "Haro":(1.374914,0.015909,0.0000,3.5000,0.0000), + "Hpol":(0.901681,0.005000,0.0000,3.5000,0.0000), + "HS":(0.363887,0.050836,0.0000,3.5000,0.0000), +} + +# hbond donor/acceptors +class HbAtom: + NO = 0 + DO = 1 # donor + AC = 2 # acceptor + DA = 3 # donor & acceptor + HP = 4 # polar H + +type2hb = { + "CNH2":HbAtom.NO, "COO":HbAtom.NO, "CH0":HbAtom.NO, "CH1":HbAtom.NO, + "CH2":HbAtom.NO, "CH3":HbAtom.NO, "aroC":HbAtom.NO, "Ntrp":HbAtom.DO, + "Nhis":HbAtom.AC, "NtrR":HbAtom.DO, "NH2O":HbAtom.DO, "Nlys":HbAtom.DO, + "Narg":HbAtom.DO, "Npro":HbAtom.NO, "OH":HbAtom.DA, "OHY":HbAtom.DA, + "ONH2":HbAtom.AC, "OOC":HbAtom.AC, "S":HbAtom.NO, "SH1":HbAtom.NO, + "Nbb":HbAtom.DO, "CAbb":HbAtom.NO, "CObb":HbAtom.NO, "OCbb":HbAtom.AC, + "HNbb":HbAtom.HP, "Hapo":HbAtom.NO, "Haro":HbAtom.NO, "Hpol":HbAtom.HP, + "HS":HbAtom.HP, # HP in rosetta(?) +} + +## +## hbond term +class HbDonType: + PBA = 0 + IND = 1 + IME = 2 + GDE = 3 + CXA = 4 + AMO = 5 + HXL = 6 + AHX = 7 + NTYPES = 8 + +class HbAccType: + PBA = 0 + CXA = 1 + CXL = 2 + HXL = 3 + AHX = 4 + IME = 5 + NTYPES = 6 + +class HbHybType: + SP2 = 0 + SP3 = 1 + RING = 2 + NTYPES = 3 + +type2dontype = { + "Nbb": HbDonType.PBA, + "Ntrp": HbDonType.IND, + "NtrR": HbDonType.GDE, + "Narg": HbDonType.GDE, + "NH2O": HbDonType.CXA, + "Nlys": HbDonType.AMO, + "OH": HbDonType.HXL, + "OHY": HbDonType.AHX, +} + +type2acctype = { + "OCbb": HbAccType.PBA, + "ONH2": HbAccType.CXA, + "OOC": HbAccType.CXL, + "OH": HbAccType.HXL, + "OHY": HbAccType.AHX, + "Nhis": HbAccType.IME, +} + +type2hybtype = { + "OCbb": HbHybType.SP2, + "ONH2": HbHybType.SP2, + "OOC": HbHybType.SP2, + "OHY": HbHybType.SP3, + "OH": HbHybType.SP3, + "Nhis": HbHybType.RING, +} + +dontype2wt = { + HbDonType.PBA: 1.45, + HbDonType.IND: 1.15, + HbDonType.IME: 1.42, + HbDonType.GDE: 1.11, + HbDonType.CXA: 1.29, + HbDonType.AMO: 1.17, + HbDonType.HXL: 0.99, + HbDonType.AHX: 1.00, +} + +acctype2wt = { + HbAccType.PBA: 1.19, + HbAccType.CXA: 1.21, + HbAccType.CXL: 1.10, + HbAccType.HXL: 1.15, + HbAccType.AHX: 1.15, + HbAccType.IME: 1.17, +} + +class HbPolyType: + ahdist_aASN_dARG = 0 + ahdist_aASN_dASN = 1 + ahdist_aASN_dGLY = 2 + ahdist_aASN_dHIS = 3 + ahdist_aASN_dLYS = 4 + ahdist_aASN_dSER = 5 + ahdist_aASN_dTRP = 6 + ahdist_aASN_dTYR = 7 + ahdist_aASP_dARG = 8 + ahdist_aASP_dASN = 9 + ahdist_aASP_dGLY = 10 + ahdist_aASP_dHIS = 11 + ahdist_aASP_dLYS = 12 + ahdist_aASP_dSER = 13 + ahdist_aASP_dTRP = 14 + ahdist_aASP_dTYR = 15 + ahdist_aGLY_dARG = 16 + ahdist_aGLY_dASN = 17 + ahdist_aGLY_dGLY = 18 + ahdist_aGLY_dHIS = 19 + ahdist_aGLY_dLYS = 20 + ahdist_aGLY_dSER = 21 + ahdist_aGLY_dTRP = 22 + ahdist_aGLY_dTYR = 23 + ahdist_aHIS_dARG = 24 + ahdist_aHIS_dASN = 25 + ahdist_aHIS_dGLY = 26 + ahdist_aHIS_dHIS = 27 + ahdist_aHIS_dLYS = 28 + ahdist_aHIS_dSER = 29 + ahdist_aHIS_dTRP = 30 + ahdist_aHIS_dTYR = 31 + ahdist_aSER_dARG = 32 + ahdist_aSER_dASN = 33 + ahdist_aSER_dGLY = 34 + ahdist_aSER_dHIS = 35 + ahdist_aSER_dLYS = 36 + ahdist_aSER_dSER = 37 + ahdist_aSER_dTRP = 38 + ahdist_aSER_dTYR = 39 + ahdist_aTYR_dARG = 40 + ahdist_aTYR_dASN = 41 + ahdist_aTYR_dGLY = 42 + ahdist_aTYR_dHIS = 43 + ahdist_aTYR_dLYS = 44 + ahdist_aTYR_dSER = 45 + ahdist_aTYR_dTRP = 46 + ahdist_aTYR_dTYR = 47 + cosBAH_off = 48 + cosBAH_7 = 49 + cosBAH_6i = 50 + AHD_1h = 51 + AHD_1i = 52 + AHD_1j = 53 + AHD_1k = 54 + +# map donor:acceptor pairs to polynomials +hbtypepair2poly = { + (HbDonType.PBA,HbAccType.PBA): (HbPolyType.ahdist_aGLY_dGLY,HbPolyType.cosBAH_off,HbPolyType.AHD_1j), + (HbDonType.CXA,HbAccType.PBA): (HbPolyType.ahdist_aGLY_dASN,HbPolyType.cosBAH_off,HbPolyType.AHD_1j), + (HbDonType.IME,HbAccType.PBA): (HbPolyType.ahdist_aGLY_dHIS,HbPolyType.cosBAH_off,HbPolyType.AHD_1j), + (HbDonType.IND,HbAccType.PBA): (HbPolyType.ahdist_aGLY_dTRP,HbPolyType.cosBAH_off,HbPolyType.AHD_1j), + (HbDonType.AMO,HbAccType.PBA): (HbPolyType.ahdist_aGLY_dLYS,HbPolyType.cosBAH_off,HbPolyType.AHD_1h), + (HbDonType.GDE,HbAccType.PBA): (HbPolyType.ahdist_aGLY_dARG,HbPolyType.cosBAH_off,HbPolyType.AHD_1j), + (HbDonType.AHX,HbAccType.PBA): (HbPolyType.ahdist_aGLY_dTYR,HbPolyType.cosBAH_off,HbPolyType.AHD_1k), + (HbDonType.HXL,HbAccType.PBA): (HbPolyType.ahdist_aGLY_dSER,HbPolyType.cosBAH_off,HbPolyType.AHD_1k), + (HbDonType.PBA,HbAccType.CXA): (HbPolyType.ahdist_aASN_dGLY,HbPolyType.cosBAH_off,HbPolyType.AHD_1k), + (HbDonType.CXA,HbAccType.CXA): (HbPolyType.ahdist_aASN_dASN,HbPolyType.cosBAH_off,HbPolyType.AHD_1k), + (HbDonType.IME,HbAccType.CXA): (HbPolyType.ahdist_aASN_dHIS,HbPolyType.cosBAH_off,HbPolyType.AHD_1k), + (HbDonType.IND,HbAccType.CXA): (HbPolyType.ahdist_aASN_dTRP,HbPolyType.cosBAH_off,HbPolyType.AHD_1k), + (HbDonType.AMO,HbAccType.CXA): (HbPolyType.ahdist_aASN_dLYS,HbPolyType.cosBAH_off,HbPolyType.AHD_1h), + (HbDonType.GDE,HbAccType.CXA): (HbPolyType.ahdist_aASN_dARG,HbPolyType.cosBAH_off,HbPolyType.AHD_1k), + (HbDonType.AHX,HbAccType.CXA): (HbPolyType.ahdist_aASN_dTYR,HbPolyType.cosBAH_off,HbPolyType.AHD_1k), + (HbDonType.HXL,HbAccType.CXA): (HbPolyType.ahdist_aASN_dSER,HbPolyType.cosBAH_off,HbPolyType.AHD_1k), + (HbDonType.PBA,HbAccType.CXL): (HbPolyType.ahdist_aASP_dGLY,HbPolyType.cosBAH_off,HbPolyType.AHD_1k), + (HbDonType.CXA,HbAccType.CXL): (HbPolyType.ahdist_aASP_dASN,HbPolyType.cosBAH_off,HbPolyType.AHD_1k), + (HbDonType.IME,HbAccType.CXL): (HbPolyType.ahdist_aASP_dHIS,HbPolyType.cosBAH_off,HbPolyType.AHD_1k), + (HbDonType.IND,HbAccType.CXL): (HbPolyType.ahdist_aASP_dTRP,HbPolyType.cosBAH_off,HbPolyType.AHD_1k), + (HbDonType.AMO,HbAccType.CXL): (HbPolyType.ahdist_aASP_dLYS,HbPolyType.cosBAH_off,HbPolyType.AHD_1h), + (HbDonType.GDE,HbAccType.CXL): (HbPolyType.ahdist_aASP_dARG,HbPolyType.cosBAH_off,HbPolyType.AHD_1k), + (HbDonType.AHX,HbAccType.CXL): (HbPolyType.ahdist_aASP_dTYR,HbPolyType.cosBAH_off,HbPolyType.AHD_1k), + (HbDonType.HXL,HbAccType.CXL): (HbPolyType.ahdist_aASP_dSER,HbPolyType.cosBAH_off,HbPolyType.AHD_1k), + (HbDonType.PBA,HbAccType.IME): (HbPolyType.ahdist_aHIS_dGLY,HbPolyType.cosBAH_7,HbPolyType.AHD_1i), + (HbDonType.CXA,HbAccType.IME): (HbPolyType.ahdist_aHIS_dASN,HbPolyType.cosBAH_7,HbPolyType.AHD_1i), + (HbDonType.IME,HbAccType.IME): (HbPolyType.ahdist_aHIS_dHIS,HbPolyType.cosBAH_7,HbPolyType.AHD_1h), + (HbDonType.IND,HbAccType.IME): (HbPolyType.ahdist_aHIS_dTRP,HbPolyType.cosBAH_7,HbPolyType.AHD_1h), + (HbDonType.AMO,HbAccType.IME): (HbPolyType.ahdist_aHIS_dLYS,HbPolyType.cosBAH_7,HbPolyType.AHD_1i), + (HbDonType.GDE,HbAccType.IME): (HbPolyType.ahdist_aHIS_dARG,HbPolyType.cosBAH_7,HbPolyType.AHD_1h), + (HbDonType.AHX,HbAccType.IME): (HbPolyType.ahdist_aHIS_dTYR,HbPolyType.cosBAH_7,HbPolyType.AHD_1i), + (HbDonType.HXL,HbAccType.IME): (HbPolyType.ahdist_aHIS_dSER,HbPolyType.cosBAH_7,HbPolyType.AHD_1i), + (HbDonType.PBA,HbAccType.AHX): (HbPolyType.ahdist_aTYR_dGLY,HbPolyType.cosBAH_6i,HbPolyType.AHD_1i), + (HbDonType.CXA,HbAccType.AHX): (HbPolyType.ahdist_aTYR_dASN,HbPolyType.cosBAH_6i,HbPolyType.AHD_1i), + (HbDonType.IME,HbAccType.AHX): (HbPolyType.ahdist_aTYR_dHIS,HbPolyType.cosBAH_6i,HbPolyType.AHD_1i), + (HbDonType.IND,HbAccType.AHX): (HbPolyType.ahdist_aTYR_dTRP,HbPolyType.cosBAH_6i,HbPolyType.AHD_1h), + (HbDonType.AMO,HbAccType.AHX): (HbPolyType.ahdist_aTYR_dLYS,HbPolyType.cosBAH_6i,HbPolyType.AHD_1i), + (HbDonType.GDE,HbAccType.AHX): (HbPolyType.ahdist_aTYR_dARG,HbPolyType.cosBAH_6i,HbPolyType.AHD_1i), + (HbDonType.AHX,HbAccType.AHX): (HbPolyType.ahdist_aTYR_dTYR,HbPolyType.cosBAH_6i,HbPolyType.AHD_1i), + (HbDonType.HXL,HbAccType.AHX): (HbPolyType.ahdist_aTYR_dSER,HbPolyType.cosBAH_6i,HbPolyType.AHD_1i), + (HbDonType.PBA,HbAccType.HXL): (HbPolyType.ahdist_aSER_dGLY,HbPolyType.cosBAH_6i,HbPolyType.AHD_1i), + (HbDonType.CXA,HbAccType.HXL): (HbPolyType.ahdist_aSER_dASN,HbPolyType.cosBAH_6i,HbPolyType.AHD_1i), + (HbDonType.IME,HbAccType.HXL): (HbPolyType.ahdist_aSER_dHIS,HbPolyType.cosBAH_6i,HbPolyType.AHD_1i), + (HbDonType.IND,HbAccType.HXL): (HbPolyType.ahdist_aSER_dTRP,HbPolyType.cosBAH_6i,HbPolyType.AHD_1h), + (HbDonType.AMO,HbAccType.HXL): (HbPolyType.ahdist_aSER_dLYS,HbPolyType.cosBAH_6i,HbPolyType.AHD_1i), + (HbDonType.GDE,HbAccType.HXL): (HbPolyType.ahdist_aSER_dARG,HbPolyType.cosBAH_6i,HbPolyType.AHD_1i), + (HbDonType.AHX,HbAccType.HXL): (HbPolyType.ahdist_aSER_dTYR,HbPolyType.cosBAH_6i,HbPolyType.AHD_1i), + (HbDonType.HXL,HbAccType.HXL): (HbPolyType.ahdist_aSER_dSER,HbPolyType.cosBAH_6i,HbPolyType.AHD_1i), +} + + +# polynomials are triplets, (x_min, x_max), (y[xx_max]), (c_9,...,c_0) +hbpolytype2coeffs = { # Parameters imported from rosetta sp2_elec_params @v2017.48-dev59886 + HbPolyType.ahdist_aASN_dARG: ((0.7019094761929999, 2.86820307153,),(1.1, 1.1,),( 0.58376113, -9.29345473, 64.86270904, -260.3946711, 661.43138077, -1098.01378958, 1183.58371466, -790.82929582, 291.33125475, -43.01629727,)), + HbPolyType.ahdist_aASN_dASN: ((0.625841094801, 2.75107708444,),(1.1, 1.1,),( -1.31243015, 18.6745072, -112.63858313, 373.32878091, -734.99145504, 861.38324861, -556.21026097, 143.5626977, 20.03238394, -11.52167705,)), + HbPolyType.ahdist_aASN_dGLY: ((0.7477341047139999, 2.6796350782799996,),(1.1, 1.1,),( -1.61294554, 23.3150793, -144.11313069, 496.13575, -1037.83809166, 1348.76826073, -1065.14368678, 473.89008925, -100.41142701, 7.44453515,)), + HbPolyType.ahdist_aASN_dHIS: ((0.344789524346, 2.8303582266000005,),(1.1, 1.1,),( -0.2657122, 4.1073775, -26.9099632, 97.10486507, -209.96002602, 277.33057268, -218.74766996, 97.42852213, -24.07382402, 3.73962807,)), + HbPolyType.ahdist_aASN_dLYS: ((0.542905671869, 2.45259389314,),(1.1, 1.1,),( 1.38531754, -18.48733797, 106.14444613, -344.70585054, 698.91577956, -917.0879402, 775.32787908, -403.09588787, 113.65054778, -11.66516403,)), + HbPolyType.ahdist_aASN_dSER: ((1.0812774602500002, 2.6832123582599996,),(1.1, 1.1,),( -3.51524353, 47.54032873, -254.40168577, 617.84606386, -255.49935027, -2361.56230539, 6426.85797934, -7760.4403891, 4694.08106855, -1149.83549068,)), + HbPolyType.ahdist_aASN_dTRP: ((0.6689984999999999, 3.0704254,),(1.1, 1.1,),( -0.5284840422, 8.3510150838, -56.4100479414, 212.4884326254, -488.3178610608, 703.7762350506, -628.9936994633999, 331.4294356146, -93.265817571, 11.9691623698,)), + HbPolyType.ahdist_aASN_dTYR: ((1.08950268805, 2.6887046709400004,),(1.1, 1.1,),( -4.4488705, 63.27696281, -371.44187037, 1121.71921621, -1638.11394306, 142.99988401, 3436.65879147, -5496.07011787, 3709.30505237, -962.79669688,)), + HbPolyType.ahdist_aASP_dARG: ((0.8100404642229999, 2.9851230124799994,),(1.1, 1.1,),( -0.66430344, 10.41343145, -70.12656205, 265.12578414, -617.05849171, 911.39378582, -847.25013928, 472.09090981, -141.71513167, 18.57721132,)), + HbPolyType.ahdist_aASP_dASN: ((1.05401125073, 3.11129675908,),(1.1, 1.1,),( 0.02090728, -0.24144928, -0.19578075, 16.80904547, -117.70216251, 407.18551288, -809.95195924, 939.83137947, -593.94527692, 159.57610528,)), + HbPolyType.ahdist_aASP_dGLY: ((0.886260952629, 2.66843608743,),(1.1, 1.1,),( -7.00699267, 107.33021779, -713.45752385, 2694.43092298, -6353.05100287, 9667.94098394, -9461.9261027, 5721.0086877, -1933.97818198, 279.47763789,)), + HbPolyType.ahdist_aASP_dHIS: ((1.03597611139, 2.78208509117,),(1.1, 1.1,),( -1.34823406, 17.08925926, -78.75087193, 106.32795459, 400.18459698, -2041.04320193, 4033.83557387, -4239.60530204, 2324.00877252, -519.38410941,)), + HbPolyType.ahdist_aASP_dLYS: ((0.97789485082, 2.50496946108,),(1.1, 1.1,),( -0.41300315, 6.59243438, -44.44525308, 163.11796012, -351.2307798, 443.2463146, -297.84582856, 62.38600547, 33.77496227, -14.11652182,)), + HbPolyType.ahdist_aASP_dSER: ((0.542905671869, 2.45259389314,),(1.1, 1.1,),( 1.38531754, -18.48733797, 106.14444613, -344.70585054, 698.91577956, -917.0879402, 775.32787908, -403.09588787, 113.65054778, -11.66516403,)), + HbPolyType.ahdist_aASP_dTRP: ((0.419155746414, 3.0486938610500003,),(1.1, 1.1,),( -0.24563471, 3.85598551, -25.75176874, 95.36525025, -214.13175785, 299.76133553, -259.0691378, 132.06975835, -37.15612683, 5.60445773,)), + HbPolyType.ahdist_aASP_dTYR: ((1.01057521468, 2.7207545786900003,),(1.1, 1.1,),( -0.15808672, -10.21398871, 178.80080949, -1238.0583801, 4736.25248274, -11071.96777725, 16239.07550047, -14593.21092621, 7335.66765017, -1575.08145078,)), + HbPolyType.ahdist_aGLY_dARG: ((0.499016667857, 2.9377031027599996,),(1.1, 1.1,),( -0.15923533, 2.5526639, -17.38788803, 65.71046957, -151.13491186, 218.78048387, -199.15882919, 110.56568974, -35.95143745, 6.47580213,)), + HbPolyType.ahdist_aGLY_dASN: ((0.7194388032060001, 2.9303772333599998,),(1.1, 1.1,),( -1.40718342, 23.65929694, -172.97144348, 720.64417348, -1882.85420815, 3194.87197776, -3515.52467458, 2415.75238278, -941.47705161, 159.84784277,)), + HbPolyType.ahdist_aGLY_dGLY: ((1.38403812683, 2.9981039433,),(1.1, 1.1,),( -0.5307601, 6.47949946, -22.39522814, -55.14303544, 708.30945242, -2619.49318162, 5227.8805795, -6043.31211632, 3806.04676175, -1007.66024144,)), + HbPolyType.ahdist_aGLY_dHIS: ((0.47406840932899996, 2.9234200830400003,),(1.1, 1.1,),( -0.12881679, 1.933838, -12.03134888, 39.92691227, -75.41519959, 78.87968016, -37.82769801, -0.13178679, 4.50193019, 0.45408359,)), + HbPolyType.ahdist_aGLY_dLYS: ((0.545347533475, 2.42624380351,),(1.1, 1.1,),( -0.22921901, 2.07015714, -6.2947417, 0.66645697, 45.21805416, -130.26668981, 176.32401031, -126.68226346, 43.96744431, -4.40105281,)), + HbPolyType.ahdist_aGLY_dSER: ((1.2803349239700001, 2.2465996077400003,),(1.1, 1.1,),( 6.72508613, -86.98495585, 454.18518444, -1119.89141452, 715.624663, 3172.36852982, -9455.49113097, 11797.38766934, -7363.28302948, 1885.50119665,)), + HbPolyType.ahdist_aGLY_dTRP: ((0.686512740494, 3.02901351815,),(1.1, 1.1,),( -0.1051487, 1.41597708, -7.42149173, 17.31830704, -6.98293652, -54.76605063, 130.95272289, -132.77575305, 62.75460448, -9.89110842,)), + HbPolyType.ahdist_aGLY_dTYR: ((1.28894687639, 2.26335316892,),(1.1, 1.1,),( 13.84536925, -169.40579865, 893.79467505, -2670.60617561, 5016.46234701, -6293.79378818, 5585.1049063, -3683.50722701, 1709.48661405, -399.5712153,)), + HbPolyType.ahdist_aHIS_dARG: ((0.8967400957230001, 2.96809434226,),(1.1, 1.1,),( 0.43460495, -10.52727665, 103.16979807, -551.42887412, 1793.25378923, -3701.08304991, 4861.05155388, -3922.4285529, 1763.82137881, -335.43441944,)), + HbPolyType.ahdist_aHIS_dASN: ((0.887120931718, 2.59166903153,),(1.1, 1.1,),( -3.50289894, 54.42813924, -368.14395507, 1418.90186454, -3425.60485859, 5360.92334837, -5428.54462336, 3424.68800187, -1221.49631986, 189.27122436,)), + HbPolyType.ahdist_aHIS_dGLY: ((1.01629363411, 2.58523052904,),(1.1, 1.1,),( -1.68095217, 21.31894078, -107.72203494, 251.81021758, -134.07465831, -707.64527046, 1894.6282743, -2156.85951846, 1216.83585872, -275.48078944,)), + HbPolyType.ahdist_aHIS_dHIS: ((0.9773010778919999, 2.72533796329,),(1.1, 1.1,),( -2.33350626, 35.66072412, -233.98966111, 859.13714961, -1925.30958567, 2685.35293578, -2257.48067507, 1021.49796136, -169.36082523, -12.1348055,)), + HbPolyType.ahdist_aHIS_dLYS: ((0.7080936539849999, 2.47191718632,),(1.1, 1.1,),( -1.88479369, 28.38084382, -185.74039957, 690.81875917, -1605.11404391, 2414.83545623, -2355.9723201, 1442.24496229, -506.45880637, 79.47512505,)), + HbPolyType.ahdist_aHIS_dSER: ((0.90846809159, 2.5477956147,),(1.1, 1.1,),( -0.92004641, 15.91841533, -117.83979251, 488.22211296, -1244.13047376, 2017.43704053, -2076.04468019, 1302.42621488, -451.29138643, 67.15812575,)), + HbPolyType.ahdist_aHIS_dTRP: ((0.991999676806, 2.81296584506,),(1.1, 1.1,),( -1.29358587, 19.97152857, -131.89796017, 485.29199356, -1084.0466445, 1497.3352889, -1234.58042682, 535.8048197, -75.58951691, -9.91148332,)), + HbPolyType.ahdist_aHIS_dTYR: ((0.882661836357, 2.5469016429900004,),(1.1, 1.1,),( -6.94700143, 109.07997256, -747.64035726, 2929.83959536, -7220.15788571, 11583.34170519, -12078.443492, 7881.85479715, -2918.19482068, 468.23988622,)), + HbPolyType.ahdist_aSER_dARG: ((1.0204658147399999, 2.8899566041900004,),(1.1, 1.1,),( 0.33887327, -7.54511361, 70.87316645, -371.88263665, 1206.67454443, -2516.82084076, 3379.45432693, -2819.73384601, 1325.33307517, -265.54533008,)), + HbPolyType.ahdist_aSER_dASN: ((1.01393052233, 3.0024434159299997,),(1.1, 1.1,),( 0.37012361, -7.46486204, 64.85775924, -318.6047209, 974.66322243, -1924.37334018, 2451.63840629, -1943.1915675, 867.07870559, -163.83771761,)), + HbPolyType.ahdist_aSER_dGLY: ((1.3856562156299999, 2.74160605537,),(1.1, 1.1,),( -1.32847415, 22.67528654, -172.53450064, 770.79034865, -2233.48829652, 4354.38807288, -5697.35144236, 4803.38686157, -2361.48028857, 518.28202382,)), + HbPolyType.ahdist_aSER_dHIS: ((0.550992321207, 2.68549261999,),(1.1, 1.1,),( -1.98041793, 29.59668639, -190.36751773, 688.43324385, -1534.68894765, 2175.66568976, -1952.07622113, 1066.28943929, -324.23381388, 43.41006168,)), + HbPolyType.ahdist_aSER_dLYS: ((0.8603189393170001, 2.77729502744,),(1.1, 1.1,),( 0.90884741, -17.24690746, 141.78469099, -661.85989315, 1929.7674992, -3636.43392779, 4419.00727923, -3332.43482061, 1410.78913266, -253.53829424,)), + HbPolyType.ahdist_aSER_dSER: ((1.10866545921, 2.61727781204,),(1.1, 1.1,),( -0.38264308, 4.41779675, -10.7016645, -81.91314845, 668.91174735, -2187.50684758, 3983.56103269, -4213.32320546, 2418.41531442, -580.28918569,)), + HbPolyType.ahdist_aSER_dTRP: ((1.4092077245899999, 2.8066121197099996,),(1.1, 1.1,),( 0.73762477, -11.70741276, 73.05154232, -205.00144794, 89.58794368, 1082.94541375, -3343.98293188, 4601.70815729, -3178.53568678, 896.59487831,)), + HbPolyType.ahdist_aSER_dTYR: ((1.10773547919, 2.60403567341,),(1.1, 1.1,),( -1.13249925, 14.66643161, -69.01708791, 93.96846742, 380.56063898, -1984.56675689, 4074.08891127, -4492.76927139, 2613.13168054, -627.71933508,)), + HbPolyType.ahdist_aTYR_dARG: ((1.05581400627, 2.85499888099,),(1.1, 1.1,),( -0.30396592, 5.30288548, -39.75788579, 167.5416547, -435.15958911, 716.52357586, -735.95195083, 439.76284677, -130.00400085, 13.23827556,)), + HbPolyType.ahdist_aTYR_dASN: ((1.0994919065200002, 2.8400869077900004,),(1.1, 1.1,),( 0.33548259, -3.5890451, 8.97769025, 48.1492734, -400.5983616, 1269.89613211, -2238.03101675, 2298.33009115, -1290.42961162, 308.43185147,)), + HbPolyType.ahdist_aTYR_dGLY: ((1.36546155066, 2.7303075916400004,),(1.1, 1.1,),( -1.55312915, 18.62092487, -70.91365499, -41.83066505, 1248.88835245, -4719.81948329, 9186.09528168, -10266.11434548, 6266.21959533, -1622.19652457,)), + HbPolyType.ahdist_aTYR_dHIS: ((0.5955982461899999, 2.6643551317500003,),(1.1, 1.1,),( -0.47442788, 7.16629863, -46.71287553, 171.46128947, -388.17484011, 558.45202337, -506.35587481, 276.46237273, -83.52554392, 12.05709329,)), + HbPolyType.ahdist_aTYR_dLYS: ((0.7978598238760001, 2.7620933782,),(1.1, 1.1,),( -0.20201464, 1.69684984, 0.27677515, -55.05786347, 286.29918332, -725.92372531, 1054.771746, -889.33602341, 401.11342256, -73.02221189,)), + HbPolyType.ahdist_aTYR_dSER: ((0.7083554962559999, 2.7032011990599996,),(1.1, 1.1,),( -0.70764192, 11.67978065, -82.80447482, 329.83401367, -810.58976486, 1269.57613941, -1261.04047117, 761.72890446, -254.37526011, 37.24301861,)), + HbPolyType.ahdist_aTYR_dTRP: ((1.10934023051, 2.8819112108,),(1.1, 1.1,),( -11.58453967, 204.88308091, -1589.77384548, 7100.84791905, -20113.61354433, 37457.83646055, -45850.02969172, 35559.8805122, -15854.78726237, 3098.04931146,)), + HbPolyType.ahdist_aTYR_dTYR: ((1.1105954899400001, 2.60081798685,),(1.1, 1.1,),( -1.63120628, 19.48493187, -81.0332905, 56.80517706, 687.42717782, -2842.77799908, 5385.52231471, -5656.74159307, 3178.83470588, -744.70042777,)), + HbPolyType.AHD_1h: ((1.76555274367, 3.1416,),(1.1, 1.1,),( 0.62725838, -9.98558225, 59.39060071, -120.82930213, -333.26536028, 2603.13082592, -6895.51207142, 9651.25238056, -7127.13394872, 2194.77244026,)), + HbPolyType.AHD_1i: ((1.59914724347, 3.1416,),(1.1, 1.1,),( -0.18888801, 3.48241679, -25.65508662, 89.57085435, -95.91708218, -367.93452341, 1589.6904702, -2662.3582135, 2184.40194483, -723.28383545,)), + HbPolyType.AHD_1j: ((1.1435646388, 3.1416,),(1.1, 1.1,),( 0.47683259, -9.54524724, 83.62557693, -420.55867774, 1337.19354878, -2786.26265686, 3803.178227, -3278.62879901, 1619.04116204, -347.50157909,)), + HbPolyType.AHD_1k: ((1.15651981164, 3.1416,),(1.1, 1.1,),( -0.10757999, 2.0276542, -16.51949978, 75.83866839, -214.18025678, 380.55117567, -415.47847283, 255.66998474, -69.94662165, 3.21313428,)), + HbPolyType.cosBAH_off: ((-1234.0, 1.1,),(1.1, 1.1,),( 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0,)), + HbPolyType.cosBAH_6i: ((-0.23538144897100002, 1.1,),(1.1, 1.1,),( -0.822093, -3.75364636, 46.88852157, -129.5440564, 146.69151428, -67.60598792, 2.91683129, 9.26673173, -3.84488178, 0.05706659,)), + HbPolyType.cosBAH_7: ((-0.019373850666900002, 1.1,),(1.1, 1.1,),( 0.0, -27.942923450028, 136.039920253368, -268.06959056747, 275.400462507919, -153.502076215949, 39.741591385461, 0.693861510121, -3.885952320499, 1.024765090788892)), +} \ No newline at end of file diff --git a/RFdiffusion/rfdiffusion/util.py b/RFdiffusion/rfdiffusion/util.py new file mode 100644 index 0000000000000000000000000000000000000000..19c30f5f27532f7da592df723111f4bcf99c802f --- /dev/null +++ b/RFdiffusion/rfdiffusion/util.py @@ -0,0 +1,743 @@ +import scipy.sparse +from rfdiffusion.chemical import * +from rfdiffusion.scoring import * + + +def generate_Cbeta(N, Ca, C): + # recreate Cb given N,Ca,C + b = Ca - N + c = C - Ca + a = torch.cross(b, c, dim=-1) + # These are the values used during training + Cb = -0.58273431*a + 0.56802827*b - 0.54067466*c + Ca + # fd: below matches sidechain generator (=Rosetta params) + # Cb = -0.57910144 * a + 0.5689693 * b - 0.5441217 * c + Ca + + return Cb + + +def th_ang_v(ab, bc, eps: float = 1e-8): + def th_norm(x, eps: float = 1e-8): + return x.square().sum(-1, keepdim=True).add(eps).sqrt() + + def th_N(x, alpha: float = 0): + return x / th_norm(x).add(alpha) + + ab, bc = th_N(ab), th_N(bc) + cos_angle = torch.clamp((ab * bc).sum(-1), -1, 1) + sin_angle = torch.sqrt(1 - cos_angle.square() + eps) + dih = torch.stack((cos_angle, sin_angle), -1) + return dih + + +def th_dih_v(ab, bc, cd): + def th_cross(a, b): + a, b = torch.broadcast_tensors(a, b) + return torch.cross(a, b, dim=-1) + + def th_norm(x, eps: float = 1e-8): + return x.square().sum(-1, keepdim=True).add(eps).sqrt() + + def th_N(x, alpha: float = 0): + return x / th_norm(x).add(alpha) + + ab, bc, cd = th_N(ab), th_N(bc), th_N(cd) + n1 = th_N(th_cross(ab, bc)) + n2 = th_N(th_cross(bc, cd)) + sin_angle = (th_cross(n1, bc) * n2).sum(-1) + cos_angle = (n1 * n2).sum(-1) + dih = torch.stack((cos_angle, sin_angle), -1) + return dih + + +def th_dih(a, b, c, d): + return th_dih_v(a - b, b - c, c - d) + + +# More complicated version splits error in CA-N and CA-C (giving more accurate CB position) +# It returns the rigid transformation from local frame to global frame +def rigid_from_3_points(N, Ca, C, non_ideal=False, eps=1e-8): + # N, Ca, C - [B,L, 3] + # R - [B,L, 3, 3], det(R)=1, inv(R) = R.T, R is a rotation matrix + B, L = N.shape[:2] + + v1 = C - Ca + v2 = N - Ca + e1 = v1 / (torch.norm(v1, dim=-1, keepdim=True) + eps) + u2 = v2 - (torch.einsum("bli, bli -> bl", e1, v2)[..., None] * e1) + e2 = u2 / (torch.norm(u2, dim=-1, keepdim=True) + eps) + e3 = torch.cross(e1, e2, dim=-1) + R = torch.cat( + [e1[..., None], e2[..., None], e3[..., None]], axis=-1 + ) # [B,L,3,3] - rotation matrix + + if non_ideal: + v2 = v2 / (torch.norm(v2, dim=-1, keepdim=True) + eps) + cosref = torch.sum(e1 * v2, dim=-1) # cosine of current N-CA-C bond angle + costgt = cos_ideal_NCAC.item() + cos2del = torch.clamp( + cosref * costgt + + torch.sqrt((1 - cosref * cosref) * (1 - costgt * costgt) + eps), + min=-1.0, + max=1.0, + ) + cosdel = torch.sqrt(0.5 * (1 + cos2del) + eps) + sindel = torch.sign(costgt - cosref) * torch.sqrt(1 - 0.5 * (1 + cos2del) + eps) + Rp = torch.eye(3, device=N.device).repeat(B, L, 1, 1) + Rp[:, :, 0, 0] = cosdel + Rp[:, :, 0, 1] = -sindel + Rp[:, :, 1, 0] = sindel + Rp[:, :, 1, 1] = cosdel + + R = torch.einsum("blij,bljk->blik", R, Rp) + + return R, Ca + + +def get_tor_mask(seq, torsion_indices, mask_in=None): + B, L = seq.shape[:2] + tors_mask = torch.ones((B, L, 10), dtype=torch.bool, device=seq.device) + tors_mask[..., 3:7] = torsion_indices[seq, :, -1] > 0 + tors_mask[:, 0, 1] = False + tors_mask[:, -1, 0] = False + + # mask for additional angles + tors_mask[:, :, 7] = seq != aa2num["GLY"] + tors_mask[:, :, 8] = seq != aa2num["GLY"] + tors_mask[:, :, 9] = torch.logical_and(seq != aa2num["GLY"], seq != aa2num["ALA"]) + tors_mask[:, :, 9] = torch.logical_and(tors_mask[:, :, 9], seq != aa2num["UNK"]) + tors_mask[:, :, 9] = torch.logical_and(tors_mask[:, :, 9], seq != aa2num["MAS"]) + + if mask_in != None: + # mask for missing atoms + # chis + ti0 = torch.gather(mask_in, 2, torsion_indices[seq, :, 0]) + ti1 = torch.gather(mask_in, 2, torsion_indices[seq, :, 1]) + ti2 = torch.gather(mask_in, 2, torsion_indices[seq, :, 2]) + ti3 = torch.gather(mask_in, 2, torsion_indices[seq, :, 3]) + is_valid = torch.stack((ti0, ti1, ti2, ti3), dim=-2).all(dim=-1) + tors_mask[..., 3:7] = torch.logical_and(tors_mask[..., 3:7], is_valid) + tors_mask[:, :, 7] = torch.logical_and( + tors_mask[:, :, 7], mask_in[:, :, 4] + ) # CB exist? + tors_mask[:, :, 8] = torch.logical_and( + tors_mask[:, :, 8], mask_in[:, :, 4] + ) # CB exist? + tors_mask[:, :, 9] = torch.logical_and( + tors_mask[:, :, 9], mask_in[:, :, 5] + ) # XG exist? + + return tors_mask + + +def get_torsions( + xyz_in, seq, torsion_indices, torsion_can_flip, ref_angles, mask_in=None +): + B, L = xyz_in.shape[:2] + + tors_mask = get_tor_mask(seq, torsion_indices, mask_in) + + # torsions to restrain to 0 or 180degree + tors_planar = torch.zeros((B, L, 10), dtype=torch.bool, device=xyz_in.device) + tors_planar[:, :, 5] = seq == aa2num["TYR"] # TYR chi 3 should be planar + + # idealize given xyz coordinates before computing torsion angles + xyz = xyz_in.clone() + Rs, Ts = rigid_from_3_points(xyz[..., 0, :], xyz[..., 1, :], xyz[..., 2, :]) + Nideal = torch.tensor([-0.5272, 1.3593, 0.000], device=xyz_in.device) + Cideal = torch.tensor([1.5233, 0.000, 0.000], device=xyz_in.device) + xyz[..., 0, :] = torch.einsum("brij,j->bri", Rs, Nideal) + Ts + xyz[..., 2, :] = torch.einsum("brij,j->bri", Rs, Cideal) + Ts + + torsions = torch.zeros((B, L, 10, 2), device=xyz.device) + # avoid undefined angles for H generation + torsions[:, 0, 1, 0] = 1.0 + torsions[:, -1, 0, 0] = 1.0 + + # omega + torsions[:, :-1, 0, :] = th_dih( + xyz[:, :-1, 1, :], xyz[:, :-1, 2, :], xyz[:, 1:, 0, :], xyz[:, 1:, 1, :] + ) + # phi + torsions[:, 1:, 1, :] = th_dih( + xyz[:, :-1, 2, :], xyz[:, 1:, 0, :], xyz[:, 1:, 1, :], xyz[:, 1:, 2, :] + ) + # psi + torsions[:, :, 2, :] = -1 * th_dih( + xyz[:, :, 0, :], xyz[:, :, 1, :], xyz[:, :, 2, :], xyz[:, :, 3, :] + ) + + # chis + ti0 = torch.gather(xyz, 2, torsion_indices[seq, :, 0, None].repeat(1, 1, 1, 3)) + ti1 = torch.gather(xyz, 2, torsion_indices[seq, :, 1, None].repeat(1, 1, 1, 3)) + ti2 = torch.gather(xyz, 2, torsion_indices[seq, :, 2, None].repeat(1, 1, 1, 3)) + ti3 = torch.gather(xyz, 2, torsion_indices[seq, :, 3, None].repeat(1, 1, 1, 3)) + torsions[:, :, 3:7, :] = th_dih(ti0, ti1, ti2, ti3) + + # CB bend + NC = 0.5 * (xyz[:, :, 0, :3] + xyz[:, :, 2, :3]) + CA = xyz[:, :, 1, :3] + CB = xyz[:, :, 4, :3] + t = th_ang_v(CB - CA, NC - CA) + t0 = ref_angles[seq][..., 0, :] + torsions[:, :, 7, :] = torch.stack( + (torch.sum(t * t0, dim=-1), t[..., 0] * t0[..., 1] - t[..., 1] * t0[..., 0]), + dim=-1, + ) + + # CB twist + NCCA = NC - CA + NCp = xyz[:, :, 2, :3] - xyz[:, :, 0, :3] + NCpp = ( + NCp + - torch.sum(NCp * NCCA, dim=-1, keepdim=True) + / torch.sum(NCCA * NCCA, dim=-1, keepdim=True) + * NCCA + ) + t = th_ang_v(CB - CA, NCpp) + t0 = ref_angles[seq][..., 1, :] + torsions[:, :, 8, :] = torch.stack( + (torch.sum(t * t0, dim=-1), t[..., 0] * t0[..., 1] - t[..., 1] * t0[..., 0]), + dim=-1, + ) + + # CG bend + CG = xyz[:, :, 5, :3] + t = th_ang_v(CG - CB, CA - CB) + t0 = ref_angles[seq][..., 2, :] + torsions[:, :, 9, :] = torch.stack( + (torch.sum(t * t0, dim=-1), t[..., 0] * t0[..., 1] - t[..., 1] * t0[..., 0]), + dim=-1, + ) + + mask0 = torch.isnan(torsions[..., 0]).nonzero() + mask1 = torch.isnan(torsions[..., 1]).nonzero() + torsions[mask0[:, 0], mask0[:, 1], mask0[:, 2], 0] = 1.0 + torsions[mask1[:, 0], mask1[:, 1], mask1[:, 2], 1] = 0.0 + + # alt chis + torsions_alt = torsions.clone() + torsions_alt[torsion_can_flip[seq, :]] *= -1 + + return torsions, torsions_alt, tors_mask, tors_planar + + +def get_tips(xyz, seq): + B, L = xyz.shape[:2] + + xyz_tips = torch.gather( + xyz, 2, tip_indices.to(xyz.device)[seq][:, :, None, None].expand(-1, -1, -1, 3) + ).reshape(B, L, 3) + mask = ~(torch.isnan(xyz_tips[:, :, 0])) + if torch.isnan(xyz_tips).any(): # replace NaN tip atom with virtual Cb atom + # three anchor atoms + N = xyz[:, :, 0] + Ca = xyz[:, :, 1] + C = xyz[:, :, 2] + + # recreate Cb given N,Ca,C + b = Ca - N + c = C - Ca + a = torch.cross(b, c, dim=-1) + Cb = -0.58273431 * a + 0.56802827 * b - 0.54067466 * c + Ca + + xyz_tips = torch.where(torch.isnan(xyz_tips), Cb, xyz_tips) + return xyz_tips, mask + + +# process ideal frames +def make_frame(X, Y): + Xn = X / torch.linalg.norm(X) + Y = Y - torch.dot(Y, Xn) * Xn + Yn = Y / torch.linalg.norm(Y) + Z = torch.cross(Xn, Yn) + Zn = Z / torch.linalg.norm(Z) + + return torch.stack((Xn, Yn, Zn), dim=-1) + + +def cross_product_matrix(u): + B, L = u.shape[:2] + matrix = torch.zeros((B, L, 3, 3), device=u.device) + matrix[:, :, 0, 1] = -u[..., 2] + matrix[:, :, 0, 2] = u[..., 1] + matrix[:, :, 1, 0] = u[..., 2] + matrix[:, :, 1, 2] = -u[..., 0] + matrix[:, :, 2, 0] = -u[..., 1] + matrix[:, :, 2, 1] = u[..., 0] + return matrix + + +# writepdb +def writepdb( + filename, atoms, seq, binderlen=None, idx_pdb=None, bfacts=None, chain_idx=None +): + f = open(filename, "w") + ctr = 1 + scpu = seq.cpu().squeeze() + atomscpu = atoms.cpu().squeeze() + if bfacts is None: + bfacts = torch.zeros(atomscpu.shape[0]) + if idx_pdb is None: + idx_pdb = 1 + torch.arange(atomscpu.shape[0]) + + Bfacts = torch.clamp(bfacts.cpu(), 0, 1) + for i, s in enumerate(scpu): + if chain_idx is None: + if binderlen is not None: + if i < binderlen: + chain = "A" + else: + chain = "B" + elif binderlen is None: + chain = "A" + else: + chain = chain_idx[i] + if len(atomscpu.shape) == 2: + f.write( + "%-6s%5s %4s %3s %s%4d %8.3f%8.3f%8.3f%6.2f%6.2f\n" + % ( + "ATOM", + ctr, + " CA ", + num2aa[s], + chain, + idx_pdb[i], + atomscpu[i, 0], + atomscpu[i, 1], + atomscpu[i, 2], + 1.0, + Bfacts[i], + ) + ) + ctr += 1 + elif atomscpu.shape[1] == 3: + for j, atm_j in enumerate([" N ", " CA ", " C "]): + f.write( + "%-6s%5s %4s %3s %s%4d %8.3f%8.3f%8.3f%6.2f%6.2f\n" + % ( + "ATOM", + ctr, + atm_j, + num2aa[s], + chain, + idx_pdb[i], + atomscpu[i, j, 0], + atomscpu[i, j, 1], + atomscpu[i, j, 2], + 1.0, + Bfacts[i], + ) + ) + ctr += 1 + elif atomscpu.shape[1] == 4: + for j, atm_j in enumerate([" N ", " CA ", " C ", " O "]): + f.write( + "%-6s%5s %4s %3s %s%4d %8.3f%8.3f%8.3f%6.2f%6.2f\n" + % ( + "ATOM", + ctr, + atm_j, + num2aa[s], + chain, + idx_pdb[i], + atomscpu[i, j, 0], + atomscpu[i, j, 1], + atomscpu[i, j, 2], + 1.0, + Bfacts[i], + ) + ) + ctr += 1 + + else: + natoms = atomscpu.shape[1] + if natoms != 14 and natoms != 27: + print("bad size!", atoms.shape) + assert False + atms = aa2long[s] + # his prot hack + if ( + s == 8 + and torch.linalg.norm(atomscpu[i, 9, :] - atomscpu[i, 5, :]) < 1.7 + ): + atms = ( + " N ", + " CA ", + " C ", + " O ", + " CB ", + " CG ", + " NE2", + " CD2", + " CE1", + " ND1", + None, + None, + None, + None, + " H ", + " HA ", + "1HB ", + "2HB ", + " HD2", + " HE1", + " HD1", + None, + None, + None, + None, + None, + None, + ) # his_d + + for j, atm_j in enumerate(atms): + if ( + j < natoms and atm_j is not None + ): # and not torch.isnan(atomscpu[i,j,:]).any()): + f.write( + "%-6s%5s %4s %3s %s%4d %8.3f%8.3f%8.3f%6.2f%6.2f\n" + % ( + "ATOM", + ctr, + atm_j, + num2aa[s], + chain, + idx_pdb[i], + atomscpu[i, j, 0], + atomscpu[i, j, 1], + atomscpu[i, j, 2], + 1.0, + Bfacts[i], + ) + ) + ctr += 1 + + +# resolve tip atom indices +tip_indices = torch.full((22,), 0) +for i in range(22): + tip_atm = aa2tip[i] + atm_long = aa2long[i] + tip_indices[i] = atm_long.index(tip_atm) + +# resolve torsion indices +torsion_indices = torch.full((22, 4, 4), 0) +torsion_can_flip = torch.full((22, 10), False, dtype=torch.bool) +for i in range(22): + i_l, i_a = aa2long[i], aa2longalt[i] + for j in range(4): + if torsions[i][j] is None: + continue + for k in range(4): + a = torsions[i][j][k] + torsion_indices[i, j, k] = i_l.index(a) + if i_l.index(a) != i_a.index(a): + torsion_can_flip[i, 3 + j] = True ##bb tors never flip +# HIS is a special case +torsion_can_flip[8, 4] = False + +# build the mapping from atoms in the full rep (Nx27) to the "alternate" rep +allatom_mask = torch.zeros((22, 27), dtype=torch.bool) +long2alt = torch.zeros((22, 27), dtype=torch.long) +for i in range(22): + i_l, i_lalt = aa2long[i], aa2longalt[i] + for j, a in enumerate(i_l): + if a is None: + long2alt[i, j] = j + else: + long2alt[i, j] = i_lalt.index(a) + allatom_mask[i, j] = True + +# bond graph traversal +num_bonds = torch.zeros((22, 27, 27), dtype=torch.long) +for i in range(22): + num_bonds_i = np.zeros((27, 27)) + for bnamei, bnamej in aabonds[i]: + bi, bj = aa2long[i].index(bnamei), aa2long[i].index(bnamej) + num_bonds_i[bi, bj] = 1 + num_bonds_i = scipy.sparse.csgraph.shortest_path(num_bonds_i, directed=False) + num_bonds_i[num_bonds_i >= 4] = 4 + num_bonds[i, ...] = torch.tensor(num_bonds_i) + + +# LJ/LK scoring parameters +ljlk_parameters = torch.zeros((22, 27, 5), dtype=torch.float) +lj_correction_parameters = torch.zeros( + (22, 27, 4), dtype=bool +) # donor/acceptor/hpol/disulf +for i in range(22): + for j, a in enumerate(aa2type[i]): + if a is not None: + ljlk_parameters[i, j, :] = torch.tensor(type2ljlk[a]) + lj_correction_parameters[i, j, 0] = (type2hb[a] == HbAtom.DO) + ( + type2hb[a] == HbAtom.DA + ) + lj_correction_parameters[i, j, 1] = (type2hb[a] == HbAtom.AC) + ( + type2hb[a] == HbAtom.DA + ) + lj_correction_parameters[i, j, 2] = type2hb[a] == HbAtom.HP + lj_correction_parameters[i, j, 3] = a == "SH1" or a == "HS" + + +# hbond scoring parameters +def donorHs(D, bonds, atoms): + dHs = [] + for i, j in bonds: + if i == D: + idx_j = atoms.index(j) + if idx_j >= 14: # if atom j is a hydrogen + dHs.append(idx_j) + if j == D: + idx_i = atoms.index(i) + if idx_i >= 14: # if atom j is a hydrogen + dHs.append(idx_i) + assert len(dHs) > 0 + return dHs + + +def acceptorBB0(A, hyb, bonds, atoms): + if hyb == HbHybType.SP2: + for i, j in bonds: + if i == A: + B = atoms.index(j) + if B < 14: + break + if j == A: + B = atoms.index(i) + if B < 14: + break + for i, j in bonds: + if i == atoms[B]: + B0 = atoms.index(j) + if B0 < 14: + break + if j == atoms[B]: + B0 = atoms.index(i) + if B0 < 14: + break + elif hyb == HbHybType.SP3 or hyb == HbHybType.RING: + for i, j in bonds: + if i == A: + B = atoms.index(j) + if B < 14: + break + if j == A: + B = atoms.index(i) + if B < 14: + break + for i, j in bonds: + if i == A and j != atoms[B]: + B0 = atoms.index(j) + break + if j == A and i != atoms[B]: + B0 = atoms.index(i) + break + + return B, B0 + + +hbtypes = torch.full( + (22, 27, 3), -1, dtype=torch.long +) # (donortype, acceptortype, acchybtype) +hbbaseatoms = torch.full( + (22, 27, 2), -1, dtype=torch.long +) # (B,B0) for acc; (D,-1) for don +hbpolys = torch.zeros( + (HbDonType.NTYPES, HbAccType.NTYPES, 3, 15) +) # weight,xmin,xmax,ymin,ymax,c9,...,c0 + +for i in range(22): + for j, a in enumerate(aa2type[i]): + if a in type2dontype: + j_hs = donorHs(aa2long[i][j], aabonds[i], aa2long[i]) + for j_h in j_hs: + hbtypes[i, j_h, 0] = type2dontype[a] + hbbaseatoms[i, j_h, 0] = j + if a in type2acctype: + j_b, j_b0 = acceptorBB0( + aa2long[i][j], type2hybtype[a], aabonds[i], aa2long[i] + ) + hbtypes[i, j, 1] = type2acctype[a] + hbtypes[i, j, 2] = type2hybtype[a] + hbbaseatoms[i, j, 0] = j_b + hbbaseatoms[i, j, 1] = j_b0 + +for i in range(HbDonType.NTYPES): + for j in range(HbAccType.NTYPES): + weight = dontype2wt[i] * acctype2wt[j] + + pdist, pbah, pahd = hbtypepair2poly[(i, j)] + xrange, yrange, coeffs = hbpolytype2coeffs[pdist] + hbpolys[i, j, 0, 0] = weight + hbpolys[i, j, 0, 1:3] = torch.tensor(xrange) + hbpolys[i, j, 0, 3:5] = torch.tensor(yrange) + hbpolys[i, j, 0, 5:] = torch.tensor(coeffs) + xrange, yrange, coeffs = hbpolytype2coeffs[pahd] + hbpolys[i, j, 1, 0] = weight + hbpolys[i, j, 1, 1:3] = torch.tensor(xrange) + hbpolys[i, j, 1, 3:5] = torch.tensor(yrange) + hbpolys[i, j, 1, 5:] = torch.tensor(coeffs) + xrange, yrange, coeffs = hbpolytype2coeffs[pbah] + hbpolys[i, j, 2, 0] = weight + hbpolys[i, j, 2, 1:3] = torch.tensor(xrange) + hbpolys[i, j, 2, 3:5] = torch.tensor(yrange) + hbpolys[i, j, 2, 5:] = torch.tensor(coeffs) + +# kinematic parameters +base_indices = torch.full((22, 27), 0, dtype=torch.long) +xyzs_in_base_frame = torch.ones((22, 27, 4)) +RTs_by_torsion = torch.eye(4).repeat(22, 7, 1, 1) +reference_angles = torch.ones((22, 3, 2)) + +for i in range(22): + i_l = aa2long[i] + for name, base, coords in ideal_coords[i]: + idx = i_l.index(name) + base_indices[i, idx] = base + xyzs_in_base_frame[i, idx, :3] = torch.tensor(coords) + + # omega frame + RTs_by_torsion[i, 0, :3, :3] = torch.eye(3) + RTs_by_torsion[i, 0, :3, 3] = torch.zeros(3) + + # phi frame + RTs_by_torsion[i, 1, :3, :3] = make_frame( + xyzs_in_base_frame[i, 0, :3] - xyzs_in_base_frame[i, 1, :3], + torch.tensor([1.0, 0.0, 0.0]), + ) + RTs_by_torsion[i, 1, :3, 3] = xyzs_in_base_frame[i, 0, :3] + + # psi frame + RTs_by_torsion[i, 2, :3, :3] = make_frame( + xyzs_in_base_frame[i, 2, :3] - xyzs_in_base_frame[i, 1, :3], + xyzs_in_base_frame[i, 1, :3] - xyzs_in_base_frame[i, 0, :3], + ) + RTs_by_torsion[i, 2, :3, 3] = xyzs_in_base_frame[i, 2, :3] + + # chi1 frame + if torsions[i][0] is not None: + a0, a1, a2 = torsion_indices[i, 0, 0:3] + RTs_by_torsion[i, 3, :3, :3] = make_frame( + xyzs_in_base_frame[i, a2, :3] - xyzs_in_base_frame[i, a1, :3], + xyzs_in_base_frame[i, a0, :3] - xyzs_in_base_frame[i, a1, :3], + ) + RTs_by_torsion[i, 3, :3, 3] = xyzs_in_base_frame[i, a2, :3] + + # chi2~4 frame + for j in range(1, 4): + if torsions[i][j] is not None: + a2 = torsion_indices[i, j, 2] + if (i == 18 and j == 2) or ( + i == 8 and j == 2 + ): # TYR CZ-OH & HIS CE1-HE1 a special case + a0, a1 = torsion_indices[i, j, 0:2] + RTs_by_torsion[i, 3 + j, :3, :3] = make_frame( + xyzs_in_base_frame[i, a2, :3] - xyzs_in_base_frame[i, a1, :3], + xyzs_in_base_frame[i, a0, :3] - xyzs_in_base_frame[i, a1, :3], + ) + else: + RTs_by_torsion[i, 3 + j, :3, :3] = make_frame( + xyzs_in_base_frame[i, a2, :3], + torch.tensor([-1.0, 0.0, 0.0]), + ) + RTs_by_torsion[i, 3 + j, :3, 3] = xyzs_in_base_frame[i, a2, :3] + + # CB/CG angles + NCr = 0.5 * (xyzs_in_base_frame[i, 0, :3] + xyzs_in_base_frame[i, 2, :3]) + CAr = xyzs_in_base_frame[i, 1, :3] + CBr = xyzs_in_base_frame[i, 4, :3] + CGr = xyzs_in_base_frame[i, 5, :3] + reference_angles[i, 0, :] = th_ang_v(CBr - CAr, NCr - CAr) + NCp = xyzs_in_base_frame[i, 2, :3] - xyzs_in_base_frame[i, 0, :3] + NCpp = NCp - torch.dot(NCp, NCr) / torch.dot(NCr, NCr) * NCr + reference_angles[i, 1, :] = th_ang_v(CBr - CAr, NCpp) + reference_angles[i, 2, :] = th_ang_v(CGr, torch.tensor([-1.0, 0.0, 0.0])) + +N_BACKBONE_ATOMS = 3 +N_HEAVY = 14 + + +def writepdb_multi( + filename, + atoms_stack, + bfacts, + seq_stack, + backbone_only=False, + chain_ids=None, + use_hydrogens=True, +): + """ + Function for writing multiple structural states of the same sequence into a single + pdb file. + """ + + f = open(filename, "w") + + if seq_stack.ndim != 2: + T = atoms_stack.shape[0] + seq_stack = torch.tile(seq_stack, (T, 1)) + seq_stack = seq_stack.cpu() + for atoms, scpu in zip(atoms_stack, seq_stack): + ctr = 1 + atomscpu = atoms.cpu() + Bfacts = torch.clamp(bfacts.cpu(), 0, 1) + for i, s in enumerate(scpu): + atms = aa2long[s] + for j, atm_j in enumerate(atms): + if backbone_only and j >= N_BACKBONE_ATOMS: + break + if not use_hydrogens and j >= N_HEAVY: + break + if (atm_j is None) or (torch.all(torch.isnan(atomscpu[i, j]))): + continue + chain_id = "A" + if chain_ids is not None: + chain_id = chain_ids[i] + f.write( + "%-6s%5s %4s %3s %s%4d %8.3f%8.3f%8.3f%6.2f%6.2f\n" + % ( + "ATOM", + ctr, + atm_j, + num2aa[s], + chain_id, + i + 1, + atomscpu[i, j, 0], + atomscpu[i, j, 1], + atomscpu[i, j, 2], + 1.0, + Bfacts[i], + ) + ) + ctr += 1 + + f.write("ENDMDL\n") + +def calc_rmsd(xyz1, xyz2, eps=1e-6): + """ + Calculates RMSD between two sets of atoms (L, 3) + """ + # center to CA centroid + xyz1 = xyz1 - xyz1.mean(0) + xyz2 = xyz2 - xyz2.mean(0) + + # Computation of the covariance matrix + C = xyz2.T @ xyz1 + + # Compute otimal rotation matrix using SVD + V, S, W = np.linalg.svd(C) + + # get sign to ensure right-handedness + d = np.ones([3,3]) + d[:,-1] = np.sign(np.linalg.det(V)*np.linalg.det(W)) + + # Rotation matrix U + U = (d*V) @ W + + # Rotate xyz2 + xyz2_ = xyz2 @ U + L = xyz2_.shape[0] + rmsd = np.sqrt(np.sum((xyz2_-xyz1)*(xyz2_-xyz1), axis=(0,1)) / L + eps) + + return rmsd, U diff --git a/RFdiffusion/rfdiffusion/util_module.py b/RFdiffusion/rfdiffusion/util_module.py new file mode 100644 index 0000000000000000000000000000000000000000..20ba2dc447a358b707507ee398881ace4e6f4ca6 --- /dev/null +++ b/RFdiffusion/rfdiffusion/util_module.py @@ -0,0 +1,310 @@ +import numpy as np +import torch +import torch.nn as nn +import torch.nn.functional as F +from opt_einsum import contract as einsum +import copy +import dgl +from rfdiffusion.util import base_indices, RTs_by_torsion, xyzs_in_base_frame, rigid_from_3_points + +def init_lecun_normal(module): + def truncated_normal(uniform, mu=0.0, sigma=1.0, a=-2, b=2): + normal = torch.distributions.normal.Normal(0, 1) + + alpha = (a - mu) / sigma + beta = (b - mu) / sigma + + alpha_normal_cdf = normal.cdf(torch.tensor(alpha)) + p = alpha_normal_cdf + (normal.cdf(torch.tensor(beta)) - alpha_normal_cdf) * uniform + + v = torch.clamp(2 * p - 1, -1 + 1e-8, 1 - 1e-8) + x = mu + sigma * np.sqrt(2) * torch.erfinv(v) + x = torch.clamp(x, a, b) + + return x + + def sample_truncated_normal(shape): + stddev = np.sqrt(1.0/shape[-1])/.87962566103423978 # shape[-1] = fan_in + return stddev * truncated_normal(torch.rand(shape)) + + module.weight = torch.nn.Parameter( (sample_truncated_normal(module.weight.shape)) ) + return module + +def init_lecun_normal_param(weight): + def truncated_normal(uniform, mu=0.0, sigma=1.0, a=-2, b=2): + normal = torch.distributions.normal.Normal(0, 1) + + alpha = (a - mu) / sigma + beta = (b - mu) / sigma + + alpha_normal_cdf = normal.cdf(torch.tensor(alpha)) + p = alpha_normal_cdf + (normal.cdf(torch.tensor(beta)) - alpha_normal_cdf) * uniform + + v = torch.clamp(2 * p - 1, -1 + 1e-8, 1 - 1e-8) + x = mu + sigma * np.sqrt(2) * torch.erfinv(v) + x = torch.clamp(x, a, b) + + return x + + def sample_truncated_normal(shape): + stddev = np.sqrt(1.0/shape[-1])/.87962566103423978 # shape[-1] = fan_in + return stddev * truncated_normal(torch.rand(shape)) + + weight = torch.nn.Parameter( (sample_truncated_normal(weight.shape)) ) + return weight + +# for gradient checkpointing +def create_custom_forward(module, **kwargs): + def custom_forward(*inputs): + return module(*inputs, **kwargs) + return custom_forward + +def get_clones(module, N): + return nn.ModuleList([copy.deepcopy(module) for i in range(N)]) + +class Dropout(nn.Module): + # Dropout entire row or column + def __init__(self, broadcast_dim=None, p_drop=0.15): + super(Dropout, self).__init__() + # give ones with probability of 1-p_drop / zeros with p_drop + self.sampler = torch.distributions.bernoulli.Bernoulli(torch.tensor([1-p_drop])) + self.broadcast_dim=broadcast_dim + self.p_drop=p_drop + def forward(self, x): + if not self.training: # no drophead during evaluation mode + return x + shape = list(x.shape) + if not self.broadcast_dim == None: + shape[self.broadcast_dim] = 1 + mask = self.sampler.sample(shape).to(x.device).view(shape) + + x = mask * x / (1.0 - self.p_drop) + return x + +def rbf(D): + # Distance radial basis function + D_min, D_max, D_count = 0., 20., 36 + D_mu = torch.linspace(D_min, D_max, D_count).to(D.device) + D_mu = D_mu[None,:] + D_sigma = (D_max - D_min) / D_count + D_expand = torch.unsqueeze(D, -1) + RBF = torch.exp(-((D_expand - D_mu) / D_sigma)**2) + return RBF + +def get_seqsep(idx): + ''' + Input: + - idx: residue indices of given sequence (B,L) + Output: + - seqsep: sequence separation feature with sign (B, L, L, 1) + Sergey found that having sign in seqsep features helps a little + ''' + seqsep = idx[:,None,:] - idx[:,:,None] + sign = torch.sign(seqsep) + neigh = torch.abs(seqsep) + neigh[neigh > 1] = 0.0 # if bonded -- 1.0 / else 0.0 + neigh = sign * neigh + return neigh.unsqueeze(-1) + +def make_full_graph(xyz, pair, idx, top_k=64, kmin=9): + ''' + Input: + - xyz: current backbone cooordinates (B, L, 3, 3) + - pair: pair features from Trunk (B, L, L, E) + - idx: residue index from ground truth pdb + Output: + - G: defined graph + ''' + + B, L = xyz.shape[:2] + device = xyz.device + + # seq sep + sep = idx[:,None,:] - idx[:,:,None] + b,i,j = torch.where(sep.abs() > 0) + + src = b*L+i + tgt = b*L+j + G = dgl.graph((src, tgt), num_nodes=B*L).to(device) + G.edata['rel_pos'] = (xyz[b,j,:] - xyz[b,i,:]).detach() # no gradient through basis function + + return G, pair[b,i,j][...,None] + +def make_topk_graph(xyz, pair, idx, top_k=64, kmin=32, eps=1e-6): + ''' + Input: + - xyz: current backbone cooordinates (B, L, 3, 3) + - pair: pair features from Trunk (B, L, L, E) + - idx: residue index from ground truth pdb + Output: + - G: defined graph + ''' + + B, L = xyz.shape[:2] + device = xyz.device + + # distance map from current CA coordinates + D = torch.cdist(xyz, xyz) + torch.eye(L, device=device).unsqueeze(0)*999.9 # (B, L, L) + # seq sep + sep = idx[:,None,:] - idx[:,:,None] + sep = sep.abs() + torch.eye(L, device=device).unsqueeze(0)*999.9 + D = D + sep*eps + + # get top_k neighbors + D_neigh, E_idx = torch.topk(D, min(top_k, L), largest=False) # shape of E_idx: (B, L, top_k) + topk_matrix = torch.zeros((B, L, L), device=device) + topk_matrix.scatter_(2, E_idx, 1.0) + + # put an edge if any of the 3 conditions are met: + # 1) |i-j| <= kmin (connect sequentially adjacent residues) + # 2) top_k neighbors + cond = torch.logical_or(topk_matrix > 0.0, sep < kmin) + b,i,j = torch.where(cond) + + src = b*L+i + tgt = b*L+j + G = dgl.graph((src, tgt), num_nodes=B*L).to(device) + G.edata['rel_pos'] = (xyz[b,j,:] - xyz[b,i,:]).detach() # no gradient through basis function + + return G, pair[b,i,j][...,None] + +def make_rotX(angs, eps=1e-6): + B,L = angs.shape[:2] + NORM = torch.linalg.norm(angs, dim=-1) + eps + + RTs = torch.eye(4, device=angs.device).repeat(B,L,1,1) + + RTs[:,:,1,1] = angs[:,:,0]/NORM + RTs[:,:,1,2] = -angs[:,:,1]/NORM + RTs[:,:,2,1] = angs[:,:,1]/NORM + RTs[:,:,2,2] = angs[:,:,0]/NORM + return RTs + +# rotate about the z axis +def make_rotZ(angs, eps=1e-6): + B,L = angs.shape[:2] + NORM = torch.linalg.norm(angs, dim=-1) + eps + + RTs = torch.eye(4, device=angs.device).repeat(B,L,1,1) + + RTs[:,:,0,0] = angs[:,:,0]/NORM + RTs[:,:,0,1] = -angs[:,:,1]/NORM + RTs[:,:,1,0] = angs[:,:,1]/NORM + RTs[:,:,1,1] = angs[:,:,0]/NORM + return RTs + +# rotate about an arbitrary axis +def make_rot_axis(angs, u, eps=1e-6): + B,L = angs.shape[:2] + NORM = torch.linalg.norm(angs, dim=-1) + eps + + RTs = torch.eye(4, device=angs.device).repeat(B,L,1,1) + + ct = angs[:,:,0]/NORM + st = angs[:,:,1]/NORM + u0 = u[:,:,0] + u1 = u[:,:,1] + u2 = u[:,:,2] + + RTs[:,:,0,0] = ct+u0*u0*(1-ct) + RTs[:,:,0,1] = u0*u1*(1-ct)-u2*st + RTs[:,:,0,2] = u0*u2*(1-ct)+u1*st + RTs[:,:,1,0] = u0*u1*(1-ct)+u2*st + RTs[:,:,1,1] = ct+u1*u1*(1-ct) + RTs[:,:,1,2] = u1*u2*(1-ct)-u0*st + RTs[:,:,2,0] = u0*u2*(1-ct)-u1*st + RTs[:,:,2,1] = u1*u2*(1-ct)+u0*st + RTs[:,:,2,2] = ct+u2*u2*(1-ct) + return RTs + +class ComputeAllAtomCoords(nn.Module): + def __init__(self): + super(ComputeAllAtomCoords, self).__init__() + + self.base_indices = nn.Parameter(base_indices, requires_grad=False) + self.RTs_in_base_frame = nn.Parameter(RTs_by_torsion, requires_grad=False) + self.xyzs_in_base_frame = nn.Parameter(xyzs_in_base_frame, requires_grad=False) + + def forward(self, seq, xyz, alphas, non_ideal=False, use_H=True): + B,L = xyz.shape[:2] + + Rs, Ts = rigid_from_3_points(xyz[...,0,:],xyz[...,1,:],xyz[...,2,:], non_ideal=non_ideal) + + RTF0 = torch.eye(4).repeat(B,L,1,1).to(device=Rs.device) + + # bb + RTF0[:,:,:3,:3] = Rs + RTF0[:,:,:3,3] = Ts + + # omega + RTF1 = torch.einsum( + 'brij,brjk,brkl->bril', + RTF0, self.RTs_in_base_frame[seq,0,:], make_rotX(alphas[:,:,0,:])) + + # phi + RTF2 = torch.einsum( + 'brij,brjk,brkl->bril', + RTF0, self.RTs_in_base_frame[seq,1,:], make_rotX(alphas[:,:,1,:])) + + # psi + RTF3 = torch.einsum( + 'brij,brjk,brkl->bril', + RTF0, self.RTs_in_base_frame[seq,2,:], make_rotX(alphas[:,:,2,:])) + + # CB bend + basexyzs = self.xyzs_in_base_frame[seq] + NCr = 0.5*(basexyzs[:,:,2,:3]+basexyzs[:,:,0,:3]) + CAr = (basexyzs[:,:,1,:3]) + CBr = (basexyzs[:,:,4,:3]) + CBrotaxis1 = (CBr-CAr).cross(NCr-CAr) + CBrotaxis1 /= torch.linalg.norm(CBrotaxis1, dim=-1, keepdim=True)+1e-8 + + # CB twist + NCp = basexyzs[:,:,2,:3] - basexyzs[:,:,0,:3] + NCpp = NCp - torch.sum(NCp*NCr, dim=-1, keepdim=True)/ torch.sum(NCr*NCr, dim=-1, keepdim=True) * NCr + CBrotaxis2 = (CBr-CAr).cross(NCpp) + CBrotaxis2 /= torch.linalg.norm(CBrotaxis2, dim=-1, keepdim=True)+1e-8 + + CBrot1 = make_rot_axis(alphas[:,:,7,:], CBrotaxis1 ) + CBrot2 = make_rot_axis(alphas[:,:,8,:], CBrotaxis2 ) + + RTF8 = torch.einsum( + 'brij,brjk,brkl->bril', + RTF0, CBrot1,CBrot2) + + # chi1 + CG bend + RTF4 = torch.einsum( + 'brij,brjk,brkl,brlm->brim', + RTF8, + self.RTs_in_base_frame[seq,3,:], + make_rotX(alphas[:,:,3,:]), + make_rotZ(alphas[:,:,9,:])) + + # chi2 + RTF5 = torch.einsum( + 'brij,brjk,brkl->bril', + RTF4, self.RTs_in_base_frame[seq,4,:],make_rotX(alphas[:,:,4,:])) + + # chi3 + RTF6 = torch.einsum( + 'brij,brjk,brkl->bril', + RTF5,self.RTs_in_base_frame[seq,5,:],make_rotX(alphas[:,:,5,:])) + + # chi4 + RTF7 = torch.einsum( + 'brij,brjk,brkl->bril', + RTF6,self.RTs_in_base_frame[seq,6,:],make_rotX(alphas[:,:,6,:])) + + RTframes = torch.stack(( + RTF0,RTF1,RTF2,RTF3,RTF4,RTF5,RTF6,RTF7,RTF8 + ),dim=2) + + xyzs = torch.einsum( + 'brtij,brtj->brti', + RTframes.gather(2,self.base_indices[seq][...,None,None].repeat(1,1,1,4,4)), basexyzs + ) + + if use_H: + return RTframes, xyzs[...,:3] + else: + return RTframes, xyzs[...,:14,:3] diff --git a/RFdiffusion/run_inference.py b/RFdiffusion/run_inference.py new file mode 100644 index 0000000000000000000000000000000000000000..2a3bf3624a36c7ad143f9674a3c7106626bb97a5 --- /dev/null +++ b/RFdiffusion/run_inference.py @@ -0,0 +1,194 @@ +#!/usr/bin/env python +""" +Inference script. + +To run with base.yaml as the config, + +> python run_inference.py + +To specify a different config, + +> python run_inference.py --config-name symmetry + +where symmetry can be the filename of any other config (without .yaml extension) +See https://hydra.cc/docs/advanced/hydra-command-line-flags/ for more options. + +""" + +import re +import os, time, pickle +import torch +from omegaconf import OmegaConf +import hydra +import logging +from rfdiffusion.util import writepdb_multi, writepdb +from rfdiffusion.inference import utils as iu +from hydra.core.hydra_config import HydraConfig +import numpy as np +import random +import glob + + +def make_deterministic(seed=0): + torch.manual_seed(seed) + np.random.seed(seed) + random.seed(seed) + + +@hydra.main(version_base=None, config_path="../config/inference", config_name="base") +def main(conf: HydraConfig) -> None: + log = logging.getLogger(__name__) + if conf.inference.deterministic: + make_deterministic() + + # Check for available GPU and print result of check + if torch.cuda.is_available(): + device_name = torch.cuda.get_device_name(torch.cuda.current_device()) + log.info(f"Found GPU with device_name {device_name}. Will run RFdiffusion on {device_name}") + else: + log.info("////////////////////////////////////////////////") + log.info("///// NO GPU DETECTED! Falling back to CPU /////") + log.info("////////////////////////////////////////////////") + + # Initialize sampler and target/contig. + sampler = iu.sampler_selector(conf) + + # Loop over number of designs to sample. + design_startnum = sampler.inf_conf.design_startnum + if sampler.inf_conf.design_startnum == -1: + existing = glob.glob(sampler.inf_conf.output_prefix + "*.pdb") + indices = [-1] + for e in existing: + print(e) + m = re.match(".*_(\d+)\.pdb$", e) + print(m) + if not m: + continue + m = m.groups()[0] + indices.append(int(m)) + design_startnum = max(indices) + 1 + + for i_des in range(design_startnum, design_startnum + sampler.inf_conf.num_designs): + if conf.inference.deterministic: + make_deterministic(i_des) + + start_time = time.time() + out_prefix = f"{sampler.inf_conf.output_prefix}_{i_des}" + log.info(f"Making design {out_prefix}") + if sampler.inf_conf.cautious and os.path.exists(out_prefix + ".pdb"): + log.info( + f"(cautious mode) Skipping this design because {out_prefix}.pdb already exists." + ) + continue + + x_init, seq_init = sampler.sample_init() + denoised_xyz_stack = [] + px0_xyz_stack = [] + seq_stack = [] + plddt_stack = [] + + x_t = torch.clone(x_init) + seq_t = torch.clone(seq_init) + # Loop over number of reverse diffusion time steps. + for t in range(int(sampler.t_step_input), sampler.inf_conf.final_step - 1, -1): + px0, x_t, seq_t, plddt = sampler.sample_step( + t=t, x_t=x_t, seq_init=seq_t, final_step=sampler.inf_conf.final_step + ) + px0_xyz_stack.append(px0) + denoised_xyz_stack.append(x_t) + seq_stack.append(seq_t) + plddt_stack.append(plddt[0]) # remove singleton leading dimension + + # Flip order for better visualization in pymol + denoised_xyz_stack = torch.stack(denoised_xyz_stack) + denoised_xyz_stack = torch.flip( + denoised_xyz_stack, + [ + 0, + ], + ) + px0_xyz_stack = torch.stack(px0_xyz_stack) + px0_xyz_stack = torch.flip( + px0_xyz_stack, + [ + 0, + ], + ) + + # For logging -- don't flip + plddt_stack = torch.stack(plddt_stack) + + # Save outputs + os.makedirs(os.path.dirname(out_prefix), exist_ok=True) + final_seq = seq_stack[-1] + + # Output glycines, except for motif region + final_seq = torch.where( + torch.argmax(seq_init, dim=-1) == 21, 7, torch.argmax(seq_init, dim=-1) + ) # 7 is glycine + + bfacts = torch.ones_like(final_seq.squeeze()) + # make bfact=0 for diffused coordinates + bfacts[torch.where(torch.argmax(seq_init, dim=-1) == 21, True, False)] = 0 + # pX0 last step + out = f"{out_prefix}.pdb" + + # Now don't output sidechains + writepdb( + out, + denoised_xyz_stack[0, :, :4], + final_seq, + sampler.binderlen, + chain_idx=sampler.chain_idx, + bfacts=bfacts, + ) + + # run metadata + trb = dict( + config=OmegaConf.to_container(sampler._conf, resolve=True), + plddt=plddt_stack.cpu().numpy(), + device=torch.cuda.get_device_name(torch.cuda.current_device()) + if torch.cuda.is_available() + else "CPU", + time=time.time() - start_time, + ) + if hasattr(sampler, "contig_map"): + for key, value in sampler.contig_map.get_mappings().items(): + trb[key] = value + with open(f"{out_prefix}.trb", "wb") as f_out: + pickle.dump(trb, f_out) + + if sampler.inf_conf.write_trajectory: + # trajectory pdbs + traj_prefix = ( + os.path.dirname(out_prefix) + "/traj/" + os.path.basename(out_prefix) + ) + os.makedirs(os.path.dirname(traj_prefix), exist_ok=True) + + out = f"{traj_prefix}_Xt-1_traj.pdb" + writepdb_multi( + out, + denoised_xyz_stack, + bfacts, + final_seq.squeeze(), + use_hydrogens=False, + backbone_only=False, + chain_ids=sampler.chain_idx, + ) + + out = f"{traj_prefix}_pX0_traj.pdb" + writepdb_multi( + out, + px0_xyz_stack, + bfacts, + final_seq.squeeze(), + use_hydrogens=False, + backbone_only=False, + chain_ids=sampler.chain_idx, + ) + + log.info(f"Finished design in {(time.time()-start_time)/60:.2f} minutes") + + +if __name__ == "__main__": + main() diff --git a/RFdiffusion/schedules/T_50_omega_1000_min_sigma_0_02_min_b_1_5_max_b_2_5_schedule_linear.pkl b/RFdiffusion/schedules/T_50_omega_1000_min_sigma_0_02_min_b_1_5_max_b_2_5_schedule_linear.pkl new file mode 100644 index 0000000000000000000000000000000000000000..e113fd7b3a3253279e7b37d51c6005139ed30512 --- /dev/null +++ b/RFdiffusion/schedules/T_50_omega_1000_min_sigma_0_02_min_b_1_5_max_b_2_5_schedule_linear.pkl @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c96eb0d4be40ffe2489c3e41f6f4fc0fe92a0dea7f98410a1486dcf94b764217 +size 8016330 diff --git a/RFdiffusion/scripts/download_models.sh b/RFdiffusion/scripts/download_models.sh new file mode 100644 index 0000000000000000000000000000000000000000..2d9c4f32c5b4ab92f160c142abf2bce01c6d7478 --- /dev/null +++ b/RFdiffusion/scripts/download_models.sh @@ -0,0 +1,27 @@ +#!/bin/bash + +# Usage: bash download_models.sh /path/to/download/directory +set -e + +if [[ $# -eq 0 ]]; then + echo "Error: download directory must be provided as an input argument." + exit 1 +fi + +DOWNLOAD_DIR="$1" + +if ! command -v wget &> /dev/null +then + echo "Error: wget could not be found. Please install wget (sudo apt-get install wget)" + exit 1 +fi + +mkdir -p "${DOWNLOAD_DIR}" +wget -P "${DOWNLOAD_DIR}" \ + http://files.ipd.uw.edu/pub/RFdiffusion/6f5902ac237024bdd0c176cb93063dc4/Base_ckpt.pt \ + http://files.ipd.uw.edu/pub/RFdiffusion/e29311f6f1bf1af907f9ef9f44b8328b/Complex_base_ckpt.pt \ + http://files.ipd.uw.edu/pub/RFdiffusion/60f09a193fb5e5ccdc4980417708dbab/Complex_Fold_base_ckpt.pt \ + http://files.ipd.uw.edu/pub/RFdiffusion/74f51cfb8b440f50d70878e05361d8f0/InpaintSeq_ckpt.pt \ + http://files.ipd.uw.edu/pub/RFdiffusion/76d00716416567174cdb7ca96e208296/InpaintSeq_Fold_ckpt.pt \ + http://files.ipd.uw.edu/pub/RFdiffusion/5532d2e1f3a4738decd58b19d633b3c3/ActiveSite_ckpt.pt \ + http://files.ipd.uw.edu/pub/RFdiffusion/12fc204edeae5b57713c5ad7dcb97d39/Base_epoch8_ckpt.pt \ No newline at end of file diff --git a/RFdiffusion/scripts/run_inference.py b/RFdiffusion/scripts/run_inference.py new file mode 100644 index 0000000000000000000000000000000000000000..2a3bf3624a36c7ad143f9674a3c7106626bb97a5 --- /dev/null +++ b/RFdiffusion/scripts/run_inference.py @@ -0,0 +1,194 @@ +#!/usr/bin/env python +""" +Inference script. + +To run with base.yaml as the config, + +> python run_inference.py + +To specify a different config, + +> python run_inference.py --config-name symmetry + +where symmetry can be the filename of any other config (without .yaml extension) +See https://hydra.cc/docs/advanced/hydra-command-line-flags/ for more options. + +""" + +import re +import os, time, pickle +import torch +from omegaconf import OmegaConf +import hydra +import logging +from rfdiffusion.util import writepdb_multi, writepdb +from rfdiffusion.inference import utils as iu +from hydra.core.hydra_config import HydraConfig +import numpy as np +import random +import glob + + +def make_deterministic(seed=0): + torch.manual_seed(seed) + np.random.seed(seed) + random.seed(seed) + + +@hydra.main(version_base=None, config_path="../config/inference", config_name="base") +def main(conf: HydraConfig) -> None: + log = logging.getLogger(__name__) + if conf.inference.deterministic: + make_deterministic() + + # Check for available GPU and print result of check + if torch.cuda.is_available(): + device_name = torch.cuda.get_device_name(torch.cuda.current_device()) + log.info(f"Found GPU with device_name {device_name}. Will run RFdiffusion on {device_name}") + else: + log.info("////////////////////////////////////////////////") + log.info("///// NO GPU DETECTED! Falling back to CPU /////") + log.info("////////////////////////////////////////////////") + + # Initialize sampler and target/contig. + sampler = iu.sampler_selector(conf) + + # Loop over number of designs to sample. + design_startnum = sampler.inf_conf.design_startnum + if sampler.inf_conf.design_startnum == -1: + existing = glob.glob(sampler.inf_conf.output_prefix + "*.pdb") + indices = [-1] + for e in existing: + print(e) + m = re.match(".*_(\d+)\.pdb$", e) + print(m) + if not m: + continue + m = m.groups()[0] + indices.append(int(m)) + design_startnum = max(indices) + 1 + + for i_des in range(design_startnum, design_startnum + sampler.inf_conf.num_designs): + if conf.inference.deterministic: + make_deterministic(i_des) + + start_time = time.time() + out_prefix = f"{sampler.inf_conf.output_prefix}_{i_des}" + log.info(f"Making design {out_prefix}") + if sampler.inf_conf.cautious and os.path.exists(out_prefix + ".pdb"): + log.info( + f"(cautious mode) Skipping this design because {out_prefix}.pdb already exists." + ) + continue + + x_init, seq_init = sampler.sample_init() + denoised_xyz_stack = [] + px0_xyz_stack = [] + seq_stack = [] + plddt_stack = [] + + x_t = torch.clone(x_init) + seq_t = torch.clone(seq_init) + # Loop over number of reverse diffusion time steps. + for t in range(int(sampler.t_step_input), sampler.inf_conf.final_step - 1, -1): + px0, x_t, seq_t, plddt = sampler.sample_step( + t=t, x_t=x_t, seq_init=seq_t, final_step=sampler.inf_conf.final_step + ) + px0_xyz_stack.append(px0) + denoised_xyz_stack.append(x_t) + seq_stack.append(seq_t) + plddt_stack.append(plddt[0]) # remove singleton leading dimension + + # Flip order for better visualization in pymol + denoised_xyz_stack = torch.stack(denoised_xyz_stack) + denoised_xyz_stack = torch.flip( + denoised_xyz_stack, + [ + 0, + ], + ) + px0_xyz_stack = torch.stack(px0_xyz_stack) + px0_xyz_stack = torch.flip( + px0_xyz_stack, + [ + 0, + ], + ) + + # For logging -- don't flip + plddt_stack = torch.stack(plddt_stack) + + # Save outputs + os.makedirs(os.path.dirname(out_prefix), exist_ok=True) + final_seq = seq_stack[-1] + + # Output glycines, except for motif region + final_seq = torch.where( + torch.argmax(seq_init, dim=-1) == 21, 7, torch.argmax(seq_init, dim=-1) + ) # 7 is glycine + + bfacts = torch.ones_like(final_seq.squeeze()) + # make bfact=0 for diffused coordinates + bfacts[torch.where(torch.argmax(seq_init, dim=-1) == 21, True, False)] = 0 + # pX0 last step + out = f"{out_prefix}.pdb" + + # Now don't output sidechains + writepdb( + out, + denoised_xyz_stack[0, :, :4], + final_seq, + sampler.binderlen, + chain_idx=sampler.chain_idx, + bfacts=bfacts, + ) + + # run metadata + trb = dict( + config=OmegaConf.to_container(sampler._conf, resolve=True), + plddt=plddt_stack.cpu().numpy(), + device=torch.cuda.get_device_name(torch.cuda.current_device()) + if torch.cuda.is_available() + else "CPU", + time=time.time() - start_time, + ) + if hasattr(sampler, "contig_map"): + for key, value in sampler.contig_map.get_mappings().items(): + trb[key] = value + with open(f"{out_prefix}.trb", "wb") as f_out: + pickle.dump(trb, f_out) + + if sampler.inf_conf.write_trajectory: + # trajectory pdbs + traj_prefix = ( + os.path.dirname(out_prefix) + "/traj/" + os.path.basename(out_prefix) + ) + os.makedirs(os.path.dirname(traj_prefix), exist_ok=True) + + out = f"{traj_prefix}_Xt-1_traj.pdb" + writepdb_multi( + out, + denoised_xyz_stack, + bfacts, + final_seq.squeeze(), + use_hydrogens=False, + backbone_only=False, + chain_ids=sampler.chain_idx, + ) + + out = f"{traj_prefix}_pX0_traj.pdb" + writepdb_multi( + out, + px0_xyz_stack, + bfacts, + final_seq.squeeze(), + use_hydrogens=False, + backbone_only=False, + chain_ids=sampler.chain_idx, + ) + + log.info(f"Finished design in {(time.time()-start_time)/60:.2f} minutes") + + +if __name__ == "__main__": + main() diff --git a/RFdiffusion/setup.py b/RFdiffusion/setup.py new file mode 100644 index 0000000000000000000000000000000000000000..6eb62b6bc4753fbd9cd4e7f57fcf3ad2ae8d70f1 --- /dev/null +++ b/RFdiffusion/setup.py @@ -0,0 +1,10 @@ +from setuptools import setup, find_packages + +setup(name='rfdiffusion', + version='1.1.0', + description='RFdiffusion is an open source method for protein structure generation.', + author='Rosetta Commons', + url='https://github.com/RosettaCommons/RFdiffusion', + scripts=["scripts/run_inference.py"], + packages=find_packages(), + install_requires=['torch', 'se3-transformer']) diff --git a/RFdiffusion/tests/test_diffusion.py b/RFdiffusion/tests/test_diffusion.py new file mode 100644 index 0000000000000000000000000000000000000000..f3eaeccdcb98c1da9f1b2cbb080ec2016148a6a5 --- /dev/null +++ b/RFdiffusion/tests/test_diffusion.py @@ -0,0 +1,265 @@ +import unittest +import subprocess +import glob +import datetime +import os +import torch +from shutil import copyfile +from rfdiffusion.inference import utils as iu +from rfdiffusion.util import calc_rmsd +import sys, json + +script_dir = os.path.dirname(os.path.abspath(__file__)) + +class TestSubmissionCommands(unittest.TestCase): + """ + Test harness for checking that commands in the examples folder, + when run in deterministic mode, produce the same output as the + reference outputs. + Requirements: + - example command must be written on a single line + - outputs must be written to example_outputs folder + - needs to be run on the same hardware as the reference outputs (A100 GPU) + For speed, we only run the first 2 steps of diffusion, and set inference.num_designs=1 + This means that outputs DO NOT look like proteins, but we can still check that the + outputs are the same as the reference outputs. + """ + + def setUp(self): + """ + Grabs files from the examples folder + """ + submissions = glob.glob(f"{script_dir}/../examples/*.sh") + # get datetime for output folder, in YYYY_MM_DD_HH_MM_SS format + now = datetime.datetime.now() + now = now.strftime("%Y_%m_%d_%H_%M_%S") + self.out_f = f"{script_dir}/tests_{now}" + os.mkdir(self.out_f) + + # Make sure we have access to all the relevant files + exclude_dirs = ["outputs", "example_outputs"] + for filename in os.listdir(f"{script_dir}/../examples"): + if filename not in exclude_dirs and not os.path.islink(os.path.join(script_dir, filename)) and os.path.isdir(os.path.join(f'{script_dir}/../examples', filename)): + os.symlink(os.path.join(f'{script_dir}/../examples', filename), os.path.join(script_dir, filename)) + + for submission in submissions: + self._write_command(submission, self.out_f) + + print(f"Running commands in {self.out_f}, two steps of diffusion, deterministic=True") + + self.results = {} + + for bash_file in sorted( glob.glob(f"{self.out_f}/*.sh"), reverse=False): + test_name = os.path.basename(bash_file)[:-len('.sh')] + res, output = execute(f"Running {test_name}", f'bash {bash_file}', return_='tuple', add_message_and_command_line_to_output=True) + + self.results[test_name] = dict( + state = 'failed' if res else 'passed', + log = output, + ) + + #subprocess.run(["bash", bash_file], stdout=subprocess.DEVNULL, stderr=subprocess.DEVNULL) + #subprocess.run(["bash", bash_file]) + + + def test_commands(self): + """ + Runs all the commands in the test_f folder + """ + reference=f'{script_dir}/reference_outputs' + os.makedirs(reference, exist_ok=True) + test_files=glob.glob(f"{self.out_f}/example_outputs/*pdb") + print(f'{self.out_f=} {test_files=}') + + # first check that we have the right number of outputs + #self.assertEqual(len(test_files), len(glob.glob(f"{self.out_f}/*.sh"))), "One or more of the example commands didn't produce an output (check the example command is formatted correctly)" + + result = self.defaultTestResult() + for test_file in test_files: + with self.subTest(test_file=test_file): + test_pdb=iu.parse_pdb(test_file) + if not os.path.exists(f"{reference}/{os.path.basename(test_file)}"): + copyfile(test_file, f"{reference}/{os.path.basename(test_file)}") + print(f"Created reference file {reference}/{os.path.basename(test_file)}") + else: + ref_pdb=iu.parse_pdb(f"{reference}/{os.path.basename(test_file)}") + rmsd=calc_rmsd(test_pdb['xyz'][:,:3].reshape(-1,3), ref_pdb['xyz'][:,:3].reshape(-1,3))[0] + try: + self.assertAlmostEqual(rmsd, 0, 2) + result.addSuccess(self) + print(f"Subtest {test_file} passed") + + state = 'passed' + log = f'Subtest {test_file} passed' + + except AssertionError as e: + result.addFailure(self, e) + print(f"Subtest {test_file} failed") + + state = 'failed' + log = f'Subtest {test_file} failed:\n{e!r}' + + self.results[ 'pdb-diff.' + test_file.rpartition('/')[-1] ] = dict(state = state, log = log) + + with open('.results.json', 'w') as f: json.dump(self.results, f, sort_keys=True, indent=2) + + self.assertTrue(result.wasSuccessful(), "One or more subtests failed") + + + def _write_command(self, bash_file, test_f) -> None: + """ + Takes a bash file from the examples folder, and writes + a version of it to the test_f folder. + It appends to the python command the following arguments: + inference.deterministic=True + if partial_T is in the command, it grabs partial T and sets: + inference.final_step=partial_T-2 + else: + inference.final_step=48 + """ + out_lines=[] + with open(bash_file, "r") as f: + lines = f.readlines() + for line in lines: + if not (line.startswith("python") or line.startswith("../")): + out_lines.append(line) + else: + command = line.strip() + if not command.startswith("python"): + command = f'python {command}' + # get the partial_T + if "partial_T" in command: + final_step = int(command.split("partial_T=")[1].split(" ")[0]) - 2 + else: + final_step = 48 + + output_command = f"{command} inference.deterministic=True inference.final_step={final_step}" + # replace inference.num_designs with 1 + if "inference.num_designs=" in output_command: + output_command = f'{output_command.split("inference.num_designs=")[0]}inference.num_designs=1 {" ".join(output_command.split("inference.num_designs=")[1].split(" ")[1:])}' + else: + output_command = f'{output_command} inference.num_designs=1' + # replace 'example_outputs' with f'{self.out_f}/example_outputs' + output_command = f'{output_command.split("example_outputs")[0]}{self.out_f}/example_outputs{output_command.split("example_outputs")[1]}' + + + # write the new command + with open(f"{test_f}/{os.path.basename(bash_file)}", "w") as f: + for line in out_lines: + f.write(line) + f.write(output_command) + + + +def execute_through_pty(command_line): + import pty, select + + if sys.platform == "darwin": + + master, slave = pty.openpty() + p = subprocess.Popen(command_line, shell=True, stdout=slave, stdin=slave, + stderr=subprocess.STDOUT, close_fds=True) + + buffer = [] + while True: + try: + if select.select([master], [], [], 0.2)[0]: # has something to read + data = os.read(master, 1 << 22) + if data: buffer.append(data) + + elif (p.poll() is not None) and (not select.select([master], [], [], 0.2)[0] ): break # process is finished and output buffer if fully read + + except OSError: break # OSError will be raised when child process close PTY descriptior + + output = b''.join(buffer).decode(encoding='utf-8', errors='backslashreplace') + + os.close(master) + os.close(slave) + + p.wait() + exit_code = p.returncode + + ''' + buffer = [] + while True: + if select.select([master], [], [], 0.2)[0]: # has something to read + data = os.read(master, 1 << 22) + if data: buffer.append(data) + # else: break # # EOF - well, technically process _should_ be finished here... + + # elif time.sleep(1) or (p.poll() is not None): # process is finished (sleep here is intentional to trigger race condition, see solution for this on the next few lines) + # assert not select.select([master], [], [], 0.2)[0] # should be nothing left to read... + # break + + elif (p.poll() is not None) and (not select.select([master], [], [], 0.2)[0] ): break # process is finished and output buffer if fully read + + assert not select.select([master], [], [], 0.2)[0] # should be nothing left to read... + + os.close(slave) + os.close(master) + + output = b''.join(buffer).decode(encoding='utf-8', errors='backslashreplace') + exit_code = p.returncode + ''' + + else: + + master, slave = pty.openpty() + p = subprocess.Popen(command_line, shell=True, stdout=slave, stdin=slave, + stderr=subprocess.STDOUT, close_fds=True) + + os.close(slave) + + buffer = [] + while True: + try: + data = os.read(master, 1 << 22) + if data: buffer.append(data) + except OSError: break # OSError will be raised when child process close PTY descriptior + + output = b''.join(buffer).decode(encoding='utf-8', errors='backslashreplace') + + os.close(master) + + p.wait() + exit_code = p.returncode + + return exit_code, output + + + +def execute(message, command_line, return_='status', until_successes=False, terminate_on_failure=True, silent=False, silence_output=False, silence_output_on_errors=False, add_message_and_command_line_to_output=False): + if not silent: print(message); print(command_line); sys.stdout.flush(); + while True: + + #exit_code, output = execute_through_subprocess(command_line) + #exit_code, output = execute_through_pexpect(command_line) + exit_code, output = execute_through_pty(command_line) + + if (exit_code and not silence_output_on_errors) or not (silent or silence_output): print(output); sys.stdout.flush(); + + if exit_code and until_successes: pass # Thats right - redability COUNT! + else: break + + print( "Error while executing {}: {}\n".format(message, output) ) + print("Sleeping 60s... then I will retry...") + sys.stdout.flush(); + time.sleep(60) + + if add_message_and_command_line_to_output: output = message + '\nCommand line: ' + command_line + '\n' + output + + if return_ == 'tuple' or return_ == tuple: return(exit_code, output) + + if exit_code and terminate_on_failure: + print("\nEncounter error while executing: " + command_line) + if return_==True: return True + else: + print('\nEncounter error while executing: ' + command_line + '\n' + output); + raise BenchmarkError('\nEncounter error while executing: ' + command_line + '\n' + output) + + if return_ == 'output': return output + else: return exit_code + + +if __name__ == "__main__": + unittest.main() diff --git a/RFdiffusion/untitled.py b/RFdiffusion/untitled.py new file mode 100644 index 0000000000000000000000000000000000000000..e69de29bb2d1d6434b8b29ae775ad8c2e48c5391 diff --git a/RFdiffusion/vfcompat.dll b/RFdiffusion/vfcompat.dll new file mode 100644 index 0000000000000000000000000000000000000000..ce7345bf6bbba42b4dba0881a8cf3b0953052f73 Binary files /dev/null and b/RFdiffusion/vfcompat.dll differ