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cyc-pep-6-12mer-70M-2024

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cyc-pep-6-12mer-70M-2024 / train /cyc-pep-6-12mer-70M_21.log
Eachan Johnson
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+ module purge
+ '[' -z '' ']'
+ case "$-" in
+ __lmod_sh_dbg=x
+ '[' -n x ']'
+ set +x
Shell debugging temporarily silenced: export LMOD_SH_DBG_ON=1 for Lmod's output
Shell debugging restarted
+ unset __lmod_sh_dbg
+ return 0
+ module load Anaconda3/2023.03
+ '[' -z '' ']'
+ case "$-" in
+ __lmod_sh_dbg=x
+ '[' -n x ']'
+ set +x
Shell debugging temporarily silenced: export LMOD_SH_DBG_ON=1 for Lmod's output
Shell debugging restarted
+ unset __lmod_sh_dbg
+ return 0
+ source /camp/home/johnsoe/.bashrc
++ '[' '' = yes ']'
++ PS1='${debian_chroot:+($debian_chroot)}\u@\h:\W\$ '
+++ /camp/apps/eb/software/Anaconda3/2023.09-0/bin/conda shell.bash hook
++ __conda_setup='export CONDA_EXE='\''/camp/apps/eb/software/Anaconda3/2023.09-0/bin/conda'\''
export _CE_M='\'''\''
export _CE_CONDA='\'''\''
export CONDA_PYTHON_EXE='\''/camp/apps/eb/software/Anaconda3/2023.09-0/bin/python'\''
# Copyright (C) 2012 Anaconda, Inc
# SPDX-License-Identifier: BSD-3-Clause
__conda_exe() (
"$CONDA_EXE" $_CE_M $_CE_CONDA "$@"
)
__conda_hashr() {
if [ -n "${ZSH_VERSION:+x}" ]; then
\rehash
elif [ -n "${POSH_VERSION:+x}" ]; then
: # pass
else
\hash -r
fi
}
__conda_activate() {
if [ -n "${CONDA_PS1_BACKUP:+x}" ]; then
# Handle transition from shell activated with conda <= 4.3 to a subsequent activation
# after conda updated to >= 4.4. See issue #6173.
PS1="$CONDA_PS1_BACKUP"
\unset CONDA_PS1_BACKUP
fi
\local ask_conda
ask_conda="$(PS1="${PS1:-}" __conda_exe shell.posix "$@")" || \return
\eval "$ask_conda"
__conda_hashr
}
__conda_reactivate() {
\local ask_conda
ask_conda="$(PS1="${PS1:-}" __conda_exe shell.posix reactivate)" || \return
\eval "$ask_conda"
__conda_hashr
}
conda() {
\local cmd="${1-__missing__}"
case "$cmd" in
activate|deactivate)
__conda_activate "$@"
;;
install|update|upgrade|remove|uninstall)
__conda_exe "$@" || \return
__conda_reactivate
;;
*)
__conda_exe "$@"
;;
esac
}
if [ -z "${CONDA_SHLVL+x}" ]; then
\export CONDA_SHLVL=0
# In dev-mode CONDA_EXE is python.exe and on Windows
# it is in a different relative location to condabin.
if [ -n "${_CE_CONDA:+x}" ] && [ -n "${WINDIR+x}" ]; then
PATH="$(\dirname "$CONDA_EXE")/condabin${PATH:+":${PATH}"}"
else
PATH="$(\dirname "$(\dirname "$CONDA_EXE")")/condabin${PATH:+":${PATH}"}"
fi
\export PATH
# We'\''re not allowing PS1 to be unbound. It must at least be set.
# However, we'\''re not exporting it, which can cause problems when starting a second shell
# via a first shell (i.e. starting zsh from bash).
if [ -z "${PS1+x}" ]; then
PS1=
fi
fi
conda activate base'
++ '[' 0 -eq 0 ']'
++ eval 'export CONDA_EXE='\''/camp/apps/eb/software/Anaconda3/2023.09-0/bin/conda'\''
export _CE_M='\'''\''
export _CE_CONDA='\'''\''
export CONDA_PYTHON_EXE='\''/camp/apps/eb/software/Anaconda3/2023.09-0/bin/python'\''
# Copyright (C) 2012 Anaconda, Inc
# SPDX-License-Identifier: BSD-3-Clause
__conda_exe() (
"$CONDA_EXE" $_CE_M $_CE_CONDA "$@"
)
__conda_hashr() {
if [ -n "${ZSH_VERSION:+x}" ]; then
\rehash
elif [ -n "${POSH_VERSION:+x}" ]; then
: # pass
else
\hash -r
fi
}
__conda_activate() {
if [ -n "${CONDA_PS1_BACKUP:+x}" ]; then
# Handle transition from shell activated with conda <= 4.3 to a subsequent activation
# after conda updated to >= 4.4. See issue #6173.
PS1="$CONDA_PS1_BACKUP"
\unset CONDA_PS1_BACKUP
fi
\local ask_conda
ask_conda="$(PS1="${PS1:-}" __conda_exe shell.posix "$@")" || \return
\eval "$ask_conda"
__conda_hashr
}
__conda_reactivate() {
\local ask_conda
ask_conda="$(PS1="${PS1:-}" __conda_exe shell.posix reactivate)" || \return
\eval "$ask_conda"
__conda_hashr
}
conda() {
\local cmd="${1-__missing__}"
case "$cmd" in
activate|deactivate)
__conda_activate "$@"
;;
install|update|upgrade|remove|uninstall)
__conda_exe "$@" || \return
__conda_reactivate
;;
*)
__conda_exe "$@"
;;
esac
}
if [ -z "${CONDA_SHLVL+x}" ]; then
\export CONDA_SHLVL=0
# In dev-mode CONDA_EXE is python.exe and on Windows
# it is in a different relative location to condabin.
if [ -n "${_CE_CONDA:+x}" ] && [ -n "${WINDIR+x}" ]; then
PATH="$(\dirname "$CONDA_EXE")/condabin${PATH:+":${PATH}"}"
else
PATH="$(\dirname "$(\dirname "$CONDA_EXE")")/condabin${PATH:+":${PATH}"}"
fi
\export PATH
# We'\''re not allowing PS1 to be unbound. It must at least be set.
# However, we'\''re not exporting it, which can cause problems when starting a second shell
# via a first shell (i.e. starting zsh from bash).
if [ -z "${PS1+x}" ]; then
PS1=
fi
fi
conda activate base'
+++ export CONDA_EXE=/camp/apps/eb/software/Anaconda3/2023.09-0/bin/conda
+++ CONDA_EXE=/camp/apps/eb/software/Anaconda3/2023.09-0/bin/conda
+++ export _CE_M=
+++ _CE_M=
+++ export _CE_CONDA=
+++ _CE_CONDA=
+++ export CONDA_PYTHON_EXE=/camp/apps/eb/software/Anaconda3/2023.09-0/bin/python
+++ CONDA_PYTHON_EXE=/camp/apps/eb/software/Anaconda3/2023.09-0/bin/python
+++ '[' -z x ']'
+++ conda activate base
+++ local cmd=activate
+++ case "$cmd" in
+++ __conda_activate activate base
+++ '[' -n '' ']'
+++ local ask_conda
++++ PS1='${debian_chroot:+($debian_chroot)}\u@\h:\W\$ '
++++ __conda_exe shell.posix activate base
++++ /camp/apps/eb/software/Anaconda3/2023.09-0/bin/conda shell.posix activate base
+++ ask_conda='PS1='\''(base) ${debian_chroot:+($debian_chroot)}\u@\h:\W\$ '\''
export PATH='\''/camp/apps/eb/software/Anaconda3/2023.03:/camp/apps/eb/software/Anaconda3/2023.03/sbin:/camp/apps/eb/software/Anaconda3/2023.03/bin:/nemo/lab/johnsone/home/users/johnsoe/.vscode-server/cli/servers/Stable-384ff7382de624fb94dbaf6da11977bba1ecd427/server/bin/remote-cli:/camp/apps/eb/software/Anaconda3/2023.09-0/bin:/camp/apps/eb/software/Anaconda3/2023.09-0/condabin:/usr/local/bin:/usr/bin:/usr/local/sbin:/usr/sbin:/usr/lpp/mmfs/bin:/camp/home/johnsoe/.local/bin:/camp/home/johnsoe/bin:/camp/apps/eb/software/Anaconda3/2023.09-0/bin'\''
export CONDA_PREFIX='\''/camp/apps/eb/software/Anaconda3/2023.09-0'\''
export CONDA_SHLVL='\''6'\''
export CONDA_DEFAULT_ENV='\''base'\''
export CONDA_PROMPT_MODIFIER='\''(base) '\''
export CONDA_PREFIX_5='\''/camp/home/johnsoe/.conda/envs/schemist-dev'\''
export CONDA_EXE='\''/camp/apps/eb/software/Anaconda3/2023.09-0/bin/conda'\''
export _CE_M='\'''\''
export _CE_CONDA='\'''\''
export CONDA_PYTHON_EXE='\''/camp/apps/eb/software/Anaconda3/2023.09-0/bin/python'\'''
+++ eval 'PS1='\''(base) ${debian_chroot:+($debian_chroot)}\u@\h:\W\$ '\''
export PATH='\''/camp/apps/eb/software/Anaconda3/2023.03:/camp/apps/eb/software/Anaconda3/2023.03/sbin:/camp/apps/eb/software/Anaconda3/2023.03/bin:/nemo/lab/johnsone/home/users/johnsoe/.vscode-server/cli/servers/Stable-384ff7382de624fb94dbaf6da11977bba1ecd427/server/bin/remote-cli:/camp/apps/eb/software/Anaconda3/2023.09-0/bin:/camp/apps/eb/software/Anaconda3/2023.09-0/condabin:/usr/local/bin:/usr/bin:/usr/local/sbin:/usr/sbin:/usr/lpp/mmfs/bin:/camp/home/johnsoe/.local/bin:/camp/home/johnsoe/bin:/camp/apps/eb/software/Anaconda3/2023.09-0/bin'\''
export CONDA_PREFIX='\''/camp/apps/eb/software/Anaconda3/2023.09-0'\''
export CONDA_SHLVL='\''6'\''
export CONDA_DEFAULT_ENV='\''base'\''
export CONDA_PROMPT_MODIFIER='\''(base) '\''
export CONDA_PREFIX_5='\''/camp/home/johnsoe/.conda/envs/schemist-dev'\''
export CONDA_EXE='\''/camp/apps/eb/software/Anaconda3/2023.09-0/bin/conda'\''
export _CE_M='\'''\''
export _CE_CONDA='\'''\''
export CONDA_PYTHON_EXE='\''/camp/apps/eb/software/Anaconda3/2023.09-0/bin/python'\'''
++++ PS1='(base) ${debian_chroot:+($debian_chroot)}\u@\h:\W\$ '
++++ export PATH=/camp/apps/eb/software/Anaconda3/2023.03:/camp/apps/eb/software/Anaconda3/2023.03/sbin:/camp/apps/eb/software/Anaconda3/2023.03/bin:/nemo/lab/johnsone/home/users/johnsoe/.vscode-server/cli/servers/Stable-384ff7382de624fb94dbaf6da11977bba1ecd427/server/bin/remote-cli:/camp/apps/eb/software/Anaconda3/2023.09-0/bin:/camp/apps/eb/software/Anaconda3/2023.09-0/condabin:/usr/local/bin:/usr/bin:/usr/local/sbin:/usr/sbin:/usr/lpp/mmfs/bin:/camp/home/johnsoe/.local/bin:/camp/home/johnsoe/bin:/camp/apps/eb/software/Anaconda3/2023.09-0/bin
++++ PATH=/camp/apps/eb/software/Anaconda3/2023.03:/camp/apps/eb/software/Anaconda3/2023.03/sbin:/camp/apps/eb/software/Anaconda3/2023.03/bin:/nemo/lab/johnsone/home/users/johnsoe/.vscode-server/cli/servers/Stable-384ff7382de624fb94dbaf6da11977bba1ecd427/server/bin/remote-cli:/camp/apps/eb/software/Anaconda3/2023.09-0/bin:/camp/apps/eb/software/Anaconda3/2023.09-0/condabin:/usr/local/bin:/usr/bin:/usr/local/sbin:/usr/sbin:/usr/lpp/mmfs/bin:/camp/home/johnsoe/.local/bin:/camp/home/johnsoe/bin:/camp/apps/eb/software/Anaconda3/2023.09-0/bin
++++ export CONDA_PREFIX=/camp/apps/eb/software/Anaconda3/2023.09-0
++++ CONDA_PREFIX=/camp/apps/eb/software/Anaconda3/2023.09-0
++++ export CONDA_SHLVL=6
++++ CONDA_SHLVL=6
++++ export CONDA_DEFAULT_ENV=base
++++ CONDA_DEFAULT_ENV=base
++++ export 'CONDA_PROMPT_MODIFIER=(base) '
++++ CONDA_PROMPT_MODIFIER='(base) '
++++ export CONDA_PREFIX_5=/camp/home/johnsoe/.conda/envs/schemist-dev
++++ CONDA_PREFIX_5=/camp/home/johnsoe/.conda/envs/schemist-dev
++++ export CONDA_EXE=/camp/apps/eb/software/Anaconda3/2023.09-0/bin/conda
++++ CONDA_EXE=/camp/apps/eb/software/Anaconda3/2023.09-0/bin/conda
++++ export _CE_M=
++++ _CE_M=
++++ export _CE_CONDA=
++++ _CE_CONDA=
++++ export CONDA_PYTHON_EXE=/camp/apps/eb/software/Anaconda3/2023.09-0/bin/python
++++ CONDA_PYTHON_EXE=/camp/apps/eb/software/Anaconda3/2023.09-0/bin/python
+++ __conda_hashr
+++ '[' -n '' ']'
+++ '[' -n '' ']'
+++ hash -r
++ unset __conda_setup
+ conda activate schemist-dev
+ local cmd=activate
+ case "$cmd" in
+ __conda_activate activate schemist-dev
+ '[' -n '' ']'
+ local ask_conda
++ PS1='(base) ${debian_chroot:+($debian_chroot)}\u@\h:\W\$ '
++ __conda_exe shell.posix activate schemist-dev
++ /camp/apps/eb/software/Anaconda3/2023.09-0/bin/conda shell.posix activate schemist-dev
+ ask_conda='PS1='\''(schemist-dev) ${debian_chroot:+($debian_chroot)}\u@\h:\W\$ '\''
export PATH='\''/camp/apps/eb/software/Anaconda3/2023.03:/camp/apps/eb/software/Anaconda3/2023.03/sbin:/camp/apps/eb/software/Anaconda3/2023.03/bin:/nemo/lab/johnsone/home/users/johnsoe/.vscode-server/cli/servers/Stable-384ff7382de624fb94dbaf6da11977bba1ecd427/server/bin/remote-cli:/camp/home/johnsoe/.conda/envs/schemist-dev/bin:/camp/apps/eb/software/Anaconda3/2023.09-0/condabin:/usr/local/bin:/usr/bin:/usr/local/sbin:/usr/sbin:/usr/lpp/mmfs/bin:/camp/home/johnsoe/.local/bin:/camp/home/johnsoe/bin:/camp/apps/eb/software/Anaconda3/2023.09-0/bin'\''
export CONDA_PREFIX='\''/camp/home/johnsoe/.conda/envs/schemist-dev'\''
export CONDA_SHLVL='\''7'\''
export CONDA_DEFAULT_ENV='\''schemist-dev'\''
export CONDA_PROMPT_MODIFIER='\''(schemist-dev) '\''
export CONDA_PREFIX_6='\''/camp/apps/eb/software/Anaconda3/2023.09-0'\''
export CONDA_EXE='\''/camp/apps/eb/software/Anaconda3/2023.09-0/bin/conda'\''
export _CE_M='\'''\''
export _CE_CONDA='\'''\''
export CONDA_PYTHON_EXE='\''/camp/apps/eb/software/Anaconda3/2023.09-0/bin/python'\'''
+ eval 'PS1='\''(schemist-dev) ${debian_chroot:+($debian_chroot)}\u@\h:\W\$ '\''
export PATH='\''/camp/apps/eb/software/Anaconda3/2023.03:/camp/apps/eb/software/Anaconda3/2023.03/sbin:/camp/apps/eb/software/Anaconda3/2023.03/bin:/nemo/lab/johnsone/home/users/johnsoe/.vscode-server/cli/servers/Stable-384ff7382de624fb94dbaf6da11977bba1ecd427/server/bin/remote-cli:/camp/home/johnsoe/.conda/envs/schemist-dev/bin:/camp/apps/eb/software/Anaconda3/2023.09-0/condabin:/usr/local/bin:/usr/bin:/usr/local/sbin:/usr/sbin:/usr/lpp/mmfs/bin:/camp/home/johnsoe/.local/bin:/camp/home/johnsoe/bin:/camp/apps/eb/software/Anaconda3/2023.09-0/bin'\''
export CONDA_PREFIX='\''/camp/home/johnsoe/.conda/envs/schemist-dev'\''
export CONDA_SHLVL='\''7'\''
export CONDA_DEFAULT_ENV='\''schemist-dev'\''
export CONDA_PROMPT_MODIFIER='\''(schemist-dev) '\''
export CONDA_PREFIX_6='\''/camp/apps/eb/software/Anaconda3/2023.09-0'\''
export CONDA_EXE='\''/camp/apps/eb/software/Anaconda3/2023.09-0/bin/conda'\''
export _CE_M='\'''\''
export _CE_CONDA='\'''\''
export CONDA_PYTHON_EXE='\''/camp/apps/eb/software/Anaconda3/2023.09-0/bin/python'\'''
++ PS1='(schemist-dev) ${debian_chroot:+($debian_chroot)}\u@\h:\W\$ '
++ export PATH=/camp/apps/eb/software/Anaconda3/2023.03:/camp/apps/eb/software/Anaconda3/2023.03/sbin:/camp/apps/eb/software/Anaconda3/2023.03/bin:/nemo/lab/johnsone/home/users/johnsoe/.vscode-server/cli/servers/Stable-384ff7382de624fb94dbaf6da11977bba1ecd427/server/bin/remote-cli:/camp/home/johnsoe/.conda/envs/schemist-dev/bin:/camp/apps/eb/software/Anaconda3/2023.09-0/condabin:/usr/local/bin:/usr/bin:/usr/local/sbin:/usr/sbin:/usr/lpp/mmfs/bin:/camp/home/johnsoe/.local/bin:/camp/home/johnsoe/bin:/camp/apps/eb/software/Anaconda3/2023.09-0/bin
++ PATH=/camp/apps/eb/software/Anaconda3/2023.03:/camp/apps/eb/software/Anaconda3/2023.03/sbin:/camp/apps/eb/software/Anaconda3/2023.03/bin:/nemo/lab/johnsone/home/users/johnsoe/.vscode-server/cli/servers/Stable-384ff7382de624fb94dbaf6da11977bba1ecd427/server/bin/remote-cli:/camp/home/johnsoe/.conda/envs/schemist-dev/bin:/camp/apps/eb/software/Anaconda3/2023.09-0/condabin:/usr/local/bin:/usr/bin:/usr/local/sbin:/usr/sbin:/usr/lpp/mmfs/bin:/camp/home/johnsoe/.local/bin:/camp/home/johnsoe/bin:/camp/apps/eb/software/Anaconda3/2023.09-0/bin
++ export CONDA_PREFIX=/camp/home/johnsoe/.conda/envs/schemist-dev
++ CONDA_PREFIX=/camp/home/johnsoe/.conda/envs/schemist-dev
++ export CONDA_SHLVL=7
++ CONDA_SHLVL=7
++ export CONDA_DEFAULT_ENV=schemist-dev
++ CONDA_DEFAULT_ENV=schemist-dev
++ export 'CONDA_PROMPT_MODIFIER=(schemist-dev) '
++ CONDA_PROMPT_MODIFIER='(schemist-dev) '
++ export CONDA_PREFIX_6=/camp/apps/eb/software/Anaconda3/2023.09-0
++ CONDA_PREFIX_6=/camp/apps/eb/software/Anaconda3/2023.09-0
++ export CONDA_EXE=/camp/apps/eb/software/Anaconda3/2023.09-0/bin/conda
++ CONDA_EXE=/camp/apps/eb/software/Anaconda3/2023.09-0/bin/conda
++ export _CE_M=
++ _CE_M=
++ export _CE_CONDA=
++ _CE_CONDA=
++ export CONDA_PYTHON_EXE=/camp/apps/eb/software/Anaconda3/2023.09-0/bin/python
++ CONDA_PYTHON_EXE=/camp/apps/eb/software/Anaconda3/2023.09-0/bin/python
+ __conda_hashr
+ '[' -n '' ']'
+ '[' -n '' ']'
+ hash -r
+ CHUNK_HEAD_FILE=/nemo/lab/johnsone/home/users/johnsoe/data/datasets/rapid_6-12b/240425_rapid_6-12.tsv.gz
+ INPUT=/nemo/lab/johnsone/home/users/johnsoe/data/datasets/cyc-pep-6-12mer-70M-2024/train/cyc-pep-6-12mer-70M_21.csv
+ COLUMN=cysteine_to_N_cyclization
+ PREFIX=cyclic_
+ AWK='1 { print $8, $1, $2, $10, $3 }'
+ '[' -z cysteine_to_N_cyclization ']'
+ '[' -z cyclic_ ']'
+ '[' -z '1 { print $8, $1, $2, $10, $3 }' ']'
+ cat /dev/fd/63 /nemo/lab/johnsone/home/users/johnsoe/data/datasets/cyc-pep-6-12mer-70M-2024/train/cyc-pep-6-12mer-70M_21.csv
+ schemist convert -f csv --column cysteine_to_N_cyclization --to id inchikey scaffold mwt clogp tpsa --prefix cyclic_ --options prefix=SCB-
+ gzip --best
+ awk -F, -v OFS=, '1 { print $8, $1, $2, $10, $3 }'
++ zcat /nemo/lab/johnsone/home/users/johnsoe/data/datasets/rapid_6-12b/240425_rapid_6-12.tsv.gz
++ tr ' ' ,
++ head -n1
🚀 Converting between string representations with the following parameters:
subcommand: convert
output: <_io.TextIOWrapper name='<stdout>' mode='w' encoding='utf-8'>
format: csv
input: <_io.TextIOWrapper name='<stdin>' mode='r' encoding='utf-8'>
representation: SMILES
column: cysteine_to_N_cyclization
prefix: cyclic_
to: ['id', 'inchikey', 'scaffold', 'mwt', 'clogp', 'tpsa']
options: ['prefix=SCB-']
func: <function _convert at 0x7fb955ddf240>
0it [00:00, ?it/s] 1it [00:06, 6.83s/it] 2it [00:13, 6.80s/it] 3it [00:20, 6.66s/it] 4it [00:26, 6.72s/it] 5it [00:34, 6.91s/it] 6it [00:41, 7.11s/it] 7it [00:48, 7.14s/it] 8it [00:55, 7.05s/it] 9it [01:02, 7.02s/it] 10it [01:09, 6.95s/it] 11it [01:16, 6.95s/it] 12it [01:23, 6.92s/it] 13it [01:29, 6.82s/it] 14it [01:36, 6.80s/it] 15it [01:43, 6.85s/it] 16it [01:50, 6.88s/it] 17it [01:57, 6.89s/it] 18it [02:04, 6.86s/it] 19it [02:11, 6.85s/it] 20it [02:17, 6.83s/it] 21it [02:25, 6.95s/it] 22it [02:32, 7.11s/it] 23it [02:40, 7.26s/it] 24it [02:47, 7.23s/it] 25it [02:54, 7.19s/it] 26it [03:01, 7.17s/it] 27it [03:08, 7.12s/it] 28it [03:15, 7.09s/it] 29it [03:22, 7.00s/it] 30it [03:28, 6.80s/it] 31it [03:35, 6.73s/it] 32it [03:41, 6.72s/it] 33it [03:48, 6.69s/it] 34it [03:55, 6.63s/it] 35it [04:01, 6.58s/it] 36it [04:08, 6.56s/it] 37it [04:14, 6.57s/it] 38it [04:21, 6.70s/it] 39it [04:28, 6.84s/it] 40it [04:35, 6.94s/it] 41it [04:42, 6.90s/it] 42it [04:49, 6.88s/it] 43it [04:56, 6.85s/it] 44it [05:03, 6.80s/it] 45it [05:09, 6.74s/it] 46it [05:16, 6.72s/it] 47it [05:23, 6.71s/it] 48it [05:29, 6.77s/it] 49it [05:36, 6.80s/it] 50it [05:43, 6.82s/it] 51it [05:50, 6.82s/it] 52it [05:57, 6.83s/it] 53it [06:04, 6.78s/it] 54it [06:10, 6.81s/it] 55it [06:18, 6.99s/it] 56it [06:25, 7.15s/it] 57it [06:33, 7.22s/it] 58it [06:40, 7.17s/it] 59it [06:47, 7.15s/it] 60it [06:54, 7.09s/it] 61it [07:01, 7.05s/it] 62it [07:08, 7.02s/it] 63it [07:15, 7.04s/it] 64it [07:22, 7.06s/it] 65it [07:29, 7.16s/it] 66it [07:37, 7.22s/it] 67it [07:44, 7.25s/it] 68it [07:51, 7.27s/it] 69it [07:59, 7.29s/it] 70it [08:06, 7.24s/it] 71it [08:13, 7.30s/it] 72it [08:21, 7.48s/it] 73it [08:29, 7.67s/it] 74it [08:37, 7.72s/it] 75it [08:45, 7.65s/it] 76it [08:52, 7.64s/it] 77it [09:00, 7.57s/it] 78it [09:07, 7.54s/it] 79it [09:15, 7.52s/it] 80it [09:22, 7.44s/it] 81it [09:29, 7.38s/it] 82it [09:37, 7.42s/it] 83it [09:44, 7.43s/it] 84it [09:51, 7.44s/it] 85it [09:59, 7.41s/it] 86it [10:06, 7.41s/it] 87it [10:13, 7.36s/it] 88it [10:21, 7.44s/it] 89it [10:29, 7.63s/it] 90it [10:37, 7.81s/it] 91it [10:45, 7.79s/it] 92it [10:53, 7.74s/it] 93it [11:00, 7.72s/it] 94it [11:08, 7.70s/it] 95it [11:16, 7.67s/it] 96it [11:23, 7.64s/it] 97it [11:31, 7.55s/it] 98it [11:38, 7.51s/it] 99it [11:46, 7.55s/it] 100it [11:53, 7.59s/it] 101it [12:01, 7.58s/it] 102it [12:08, 7.56s/it] 103it [12:16, 7.55s/it] 104it [12:23, 7.51s/it] 105it [12:31, 7.61s/it] 106it [12:39, 7.79s/it] 107it [12:48, 7.97s/it] 108it [12:56, 7.92s/it] 109it [13:03, 7.88s/it] 110it [13:11, 7.84s/it] 111it [13:19, 7.82s/it] 112it [13:27, 7.80s/it] 113it [13:34, 7.74s/it] 114it [13:41, 7.49s/it] 115it [13:48, 7.36s/it] 116it [13:56, 7.34s/it] 117it [14:03, 7.31s/it] 118it [14:10, 7.26s/it] 119it [14:17, 7.20s/it] 120it [14:24, 7.17s/it] 121it [14:31, 7.16s/it] 122it [14:39, 7.28s/it] 123it [14:47, 7.43s/it] 124it [14:54, 7.57s/it] 125it [15:02, 7.53s/it] 126it [15:09, 7.47s/it] 127it [15:17, 7.47s/it] 128it [15:24, 7.43s/it] 129it [15:31, 7.38s/it] 130it [15:38, 7.32s/it] 131it [15:45, 7.12s/it] 132it [15:52, 7.06s/it] 133it [15:59, 7.07s/it] 134it [16:06, 7.04s/it] 135it [16:13, 6.98s/it] 136it [16:20, 6.94s/it] 137it [16:27, 6.93s/it] 138it [16:34, 6.94s/it] 139it [16:41, 7.07s/it] 140it [16:49, 7.23s/it] 141it [16:56, 7.32s/it] 142it [17:03, 7.30s/it] 143it [17:11, 7.28s/it] 144it [17:18, 7.22s/it] 145it [17:25, 7.18s/it] 146it [17:32, 7.13s/it] 147it [17:39, 7.11s/it] 148it [17:46, 7.07s/it] 149it [17:53, 7.14s/it] 150it [18:00, 7.15s/it] 151it [18:08, 7.15s/it] 152it [18:15, 7.14s/it] 153it [18:22, 7.17s/it] 154it [18:29, 7.14s/it] 155it [18:36, 7.15s/it] 156it [18:44, 7.31s/it] 157it [18:52, 7.46s/it] 158it [18:59, 7.55s/it] 159it [19:07, 7.50s/it] 160it [19:14, 7.50s/it] 161it [19:22, 7.44s/it] 162it [19:29, 7.39s/it] 163it [19:36, 7.36s/it] 164it [19:43, 7.25s/it] 165it [19:50, 7.08s/it] 166it [19:57, 7.08s/it] 167it [20:04, 7.06s/it] 168it [20:11, 7.01s/it] 169it [20:18, 6.98s/it] 170it [20:25, 7.02s/it] 171it [20:32, 6.96s/it] 172it [20:39, 6.98s/it] 173it [20:46, 7.16s/it] 174it [20:54, 7.33s/it] 175it [21:01, 7.34s/it] 176it [21:08, 7.26s/it] 177it [21:16, 7.23s/it] 178it [21:23, 7.17s/it] 179it [21:30, 7.13s/it] 180it [21:37, 7.11s/it] 181it [21:44, 7.04s/it] 182it [21:50, 6.97s/it] 183it [21:57, 7.00s/it] 184it [22:05, 7.02s/it] 185it [22:12, 7.03s/it] 186it [22:18, 6.99s/it] 187it [22:25, 7.00s/it] 188it [22:32, 6.94s/it] 189it [22:39, 7.01s/it] 190it [22:47, 7.20s/it] 191it [22:55, 7.36s/it] 192it [23:02, 7.37s/it] 193it [23:09, 7.29s/it] 194it [23:17, 7.28s/it] 195it [23:24, 7.25s/it] 196it [23:31, 7.20s/it] 197it [23:38, 7.18s/it] 198it [23:45, 7.02s/it] 199it [23:51, 6.94s/it] 200it [23:58, 6.96s/it] 201it [24:05, 6.96s/it] 202it [24:12, 6.94s/it] 203it [24:19, 6.88s/it] 204it [24:26, 6.89s/it] 205it [24:33, 6.84s/it] 206it [24:40, 6.97s/it] 207it [24:47, 7.14s/it] 208it [24:55, 7.28s/it] 209it [25:02, 7.25s/it] 210it [25:09, 7.19s/it] 211it [25:16, 7.16s/it] 212it [25:23, 7.13s/it] 213it [25:30, 7.09s/it] 214it [25:37, 7.04s/it] 215it [25:44, 6.94s/it] 216it [25:51, 6.94s/it] 217it [25:58, 6.97s/it] 218it [26:05, 6.98s/it] 219it [26:12, 6.96s/it] 220it [26:19, 6.93s/it] 221it [26:26, 6.91s/it] 222it [26:33, 6.93s/it] 223it [26:40, 7.05s/it] 224it [26:48, 7.20s/it] 225it [26:55, 7.33s/it] 226it [27:02, 7.30s/it] 227it [27:10, 7.26s/it] 228it [27:17, 7.24s/it] 229it [27:24, 7.22s/it] 230it [27:31, 7.16s/it] 231it [27:38, 7.09s/it] 232it [27:44, 6.85s/it] 233it [27:51, 6.73s/it] 234it [27:57, 6.70s/it] 235it [28:04, 6.66s/it] 236it [28:10, 6.58s/it] 237it [28:17, 6.52s/it] 238it [28:23, 6.50s/it] 239it [28:30, 6.50s/it] 240it [28:36, 6.62s/it] 241it [28:43, 6.76s/it] 242it [28:51, 6.87s/it] 243it [28:57, 6.82s/it] 244it [29:04, 6.82s/it] 245it [29:11, 6.78s/it] 246it [29:17, 6.73s/it] 247it [29:24, 6.68s/it] 248it [29:31, 6.63s/it] 249it [29:37, 6.54s/it] 250it [29:44, 6.57s/it] 251it [29:50, 6.60s/it] 252it [29:57, 6.59s/it] 253it [30:03, 6.58s/it] 254it [30:10, 6.56s/it] 255it [30:16, 6.54s/it] 256it [30:23, 6.55s/it] 257it [30:30, 6.70s/it] 258it [30:37, 6.84s/it] 259it [30:44, 6.93s/it] 260it [30:51, 6.91s/it] 261it [30:58, 6.89s/it] 262it [31:05, 6.83s/it] 263it [31:11, 6.79s/it] 264it [31:18, 6.74s/it] 265it [31:25, 6.75s/it] 266it [31:31, 6.75s/it] 267it [31:38, 6.79s/it] 268it [31:45, 6.83s/it] 269it [31:52, 6.84s/it] 270it [31:59, 6.84s/it] 271it [32:06, 6.86s/it] 272it [32:13, 6.80s/it] 273it [32:20, 6.86s/it] 274it [32:27, 7.02s/it] 275it [32:35, 7.20s/it] 276it [32:42, 7.25s/it] 277it [32:49, 7.18s/it] 278it [32:56, 7.17s/it] 279it [33:03, 7.12s/it] 280it [33:10, 7.08s/it] 281it [33:17, 7.06s/it] 282it [33:24, 6.95s/it] 283it [33:30, 6.84s/it] 284it [33:37, 6.84s/it] 285it [33:44, 6.85s/it] 286it [33:51, 6.84s/it] 287it [33:58, 6.79s/it] 288it [34:04, 6.79s/it] 289it [34:11, 6.73s/it] 290it [34:18, 6.84s/it] 291it [34:25, 7.01s/it] 292it [34:33, 7.16s/it] 293it [34:40, 7.14s/it] 294it [34:47, 7.09s/it] 295it [34:54, 7.05s/it] 296it [35:01, 7.03s/it] 297it [35:08, 6.97s/it] 298it [35:15, 6.93s/it] 299it [35:21, 6.81s/it] 300it [35:28, 6.75s/it] 301it [35:35, 6.78s/it] 302it [35:42, 6.82s/it] 303it [35:48, 6.80s/it] 304it [35:55, 6.76s/it] 305it [36:02, 6.76s/it] 306it [36:08, 6.70s/it] 307it [36:15, 6.80s/it] 308it [36:23, 6.98s/it] 309it [36:30, 7.14s/it] 310it [36:37, 7.13s/it] 311it [36:44, 7.07s/it] 312it [36:51, 7.03s/it] 313it [36:58, 7.01s/it] 314it [37:05, 6.97s/it] 315it [37:12, 6.94s/it] 316it [37:18, 6.78s/it] 317it [37:25, 6.73s/it] 318it [37:32, 6.75s/it] 319it [37:38, 6.76s/it] 320it [37:45, 6.75s/it] 321it [37:52, 6.70s/it] 322it [37:58, 6.68s/it] 323it [38:05, 6.65s/it] 324it [38:12, 6.75s/it] 325it [38:19, 6.92s/it] 326it [38:27, 7.08s/it] 327it [38:34, 7.05s/it] 328it [38:41, 7.00s/it] 329it [38:48, 6.97s/it] 330it [38:54, 6.94s/it] 331it [39:01, 6.91s/it] 332it [39:08, 6.88s/it] 333it [39:14, 6.73s/it] 334it [39:21, 6.66s/it] 335it [39:28, 6.68s/it] 336it [39:34, 6.70s/it] 337it [39:41, 6.68s/it] 338it [39:48, 6.63s/it] 339it [39:54, 6.62s/it] 340it [40:01, 6.59s/it] 341it [40:08, 6.68s/it] 342it [40:15, 6.85s/it] 343it [40:22, 7.00s/it] 344it [40:29, 6.98s/it] 345it [40:36, 6.93s/it] 346it [40:43, 6.90s/it] 347it [40:50, 6.88s/it] 348it [40:56, 6.84s/it] 349it [41:03, 6.80s/it] 350it [41:09, 6.70s/it] 351it [41:16, 6.70s/it] 352it [41:23, 6.76s/it] 353it [41:30, 6.78s/it] 354it [41:37, 6.78s/it] 355it [41:43, 6.74s/it] 356it [41:50, 6.73s/it] 357it [41:57, 6.74s/it] 358it [42:04, 6.86s/it] 359it [42:11, 7.02s/it] 360it [42:19, 7.15s/it] 361it [42:26, 7.13s/it] 362it [42:33, 7.08s/it] 363it [42:40, 7.07s/it] 364it [42:47, 7.04s/it] 365it [42:54, 6.99s/it] 366it [43:01, 6.94s/it] 367it [43:07, 6.73s/it] 368it [43:13, 6.63s/it] 369it [43:20, 6.62s/it] 370it [43:26, 6.59s/it] 371it [43:33, 6.55s/it] 372it [43:39, 6.50s/it] 373it [43:46, 6.48s/it] 374it [43:52, 6.49s/it] 375it [43:59, 6.60s/it] 376it [44:06, 6.75s/it] 377it [44:13, 6.85s/it] 378it [44:20, 6.83s/it] 379it [44:27, 6.79s/it] 380it [44:33, 6.77s/it] 381it [44:40, 6.74s/it] 382it [44:47, 6.68s/it] 383it [44:53, 6.66s/it] 384it [45:00, 6.62s/it] 385it [45:06, 6.66s/it] 386it [45:13, 6.74s/it] 387it [45:20, 6.75s/it] 388it [45:27, 6.75s/it] 389it [45:34, 6.74s/it] 390it [45:40, 6.72s/it] 391it [45:47, 6.73s/it] 392it [45:54, 6.87s/it] 393it [46:02, 7.01s/it] 394it [46:09, 7.14s/it] 395it [46:16, 7.10s/it] 396it [46:23, 7.08s/it] 397it [46:30, 7.06s/it] 398it [46:37, 7.01s/it] 399it [46:44, 6.95s/it] 400it [46:51, 6.94s/it] 401it [46:58, 6.95s/it] 402it [47:05, 7.06s/it] 403it [47:12, 7.14s/it] 404it [47:20, 7.18s/it] 405it [47:27, 7.19s/it] 406it [47:34, 7.18s/it] 407it [47:41, 7.17s/it] 408it [47:48, 7.20s/it] 409it [47:56, 7.34s/it] 410it [48:04, 7.49s/it] 411it [48:12, 7.62s/it] 412it [48:19, 7.56s/it] 413it [48:27, 7.57s/it] 414it [48:34, 7.52s/it] 415it [48:42, 7.48s/it] 416it [48:49, 7.43s/it] 417it [48:56, 7.37s/it] 418it [49:03, 7.33s/it] 419it [49:11, 7.35s/it] 420it [49:18, 7.37s/it] 421it [49:26, 7.37s/it] 422it [49:33, 7.33s/it] 423it [49:40, 7.35s/it] 424it [49:47, 7.31s/it] 425it [49:55, 7.34s/it] 426it [50:03, 7.49s/it] 427it [50:11, 7.64s/it] 428it [50:19, 7.74s/it] 429it [50:26, 7.70s/it] 430it [50:34, 7.69s/it] 431it [50:41, 7.61s/it] 432it [50:49, 7.56s/it] 433it [50:56, 7.52s/it] 434it [51:04, 7.48s/it] 435it [51:11, 7.44s/it] 436it [51:19, 7.49s/it] 437it [51:26, 7.50s/it] 438it [51:34, 7.50s/it] 439it [51:41, 7.48s/it] 440it [51:49, 7.49s/it] 441it [51:56, 7.44s/it] 442it [52:03, 7.48s/it] 443it [52:11, 7.66s/it] 444it [52:20, 7.81s/it] 445it [52:28, 7.91s/it] 446it [52:36, 7.85s/it] 447it [52:43, 7.84s/it] 448it [52:51, 7.76s/it] 449it [52:59, 7.72s/it] 450it [53:06, 7.67s/it] 451it [53:13, 7.56s/it] 452it [53:20, 7.35s/it] 453it [53:27, 7.29s/it] 454it [53:35, 7.24s/it] 455it [53:42, 7.18s/it] 456it [53:49, 7.14s/it] 457it [53:56, 7.14s/it] 458it [54:03, 7.07s/it] 459it [54:10, 7.10s/it] 460it [54:17, 7.25s/it] 461it [54:25, 7.41s/it] 462it [54:33, 7.48s/it] 463it [54:40, 7.40s/it] 464it [54:47, 7.39s/it] 465it [54:55, 7.35s/it] 466it [55:02, 7.30s/it] 467it [55:09, 7.27s/it] 468it [55:16, 7.15s/it] 469it [55:23, 7.00s/it] 470it [55:29, 6.98s/it] 471it [55:36, 6.95s/it] 472it [55:43, 6.92s/it] 473it [55:50, 6.89s/it] 474it [55:57, 6.89s/it] 475it [56:04, 6.82s/it] 476it [56:11, 6.87s/it] 477it [56:18, 7.02s/it] 478it [56:26, 7.18s/it] 479it [56:33, 7.25s/it] 480it [56:40, 7.18s/it] 481it [56:47, 7.17s/it] 482it [56:54, 7.10s/it] 483it [57:01, 7.05s/it] 484it [57:08, 7.05s/it] 485it [57:15, 7.00s/it] 486it [57:22, 6.96s/it] 487it [57:29, 7.03s/it] 488it [57:36, 7.07s/it] 489it [57:43, 7.09s/it] 490it [57:50, 7.09s/it] 491it [57:57, 7.09s/it] 492it [58:04, 7.03s/it] 493it [58:12, 7.09s/it] 494it [58:19, 7.25s/it] 495it [58:27, 7.45s/it] 496it [58:35, 7.47s/it] 497it [58:42, 7.40s/it] 498it [58:49, 7.38s/it] 499it [58:56, 7.32s/it] 500it [59:04, 7.31s/it] 501it [59:11, 7.27s/it] 502it [59:17, 7.08s/it] 503it [59:24, 6.97s/it] 504it [59:31, 6.95s/it] 505it [59:38, 6.96s/it] 506it [59:45, 6.93s/it] 507it [59:52, 6.86s/it] 508it [59:58, 6.84s/it] 509it [1:00:05, 6.81s/it] 510it [1:00:12, 6.93s/it] 511it [1:00:20, 7.10s/it] 512it [1:00:27, 7.23s/it] 513it [1:00:35, 7.21s/it] 514it [1:00:42, 7.16s/it] 515it [1:00:49, 7.15s/it] 516it [1:00:56, 7.10s/it] 517it [1:01:03, 7.04s/it] 518it [1:01:09, 6.99s/it] 519it [1:01:16, 6.89s/it] 520it [1:01:23, 6.90s/it] 521it [1:01:30, 6.95s/it] 522it [1:01:37, 6.96s/it] 523it [1:01:44, 6.94s/it] 524it [1:01:51, 6.92s/it] 525it [1:01:58, 6.90s/it] 526it [1:02:05, 6.90s/it] 527it [1:02:12, 7.08s/it] 528it [1:02:20, 7.28s/it] 529it [1:02:28, 7.42s/it] 530it [1:02:35, 7.35s/it] 531it [1:02:42, 7.31s/it] 532it [1:02:49, 7.25s/it] 533it [1:02:56, 7.21s/it] 534it [1:03:03, 7.13s/it] 535it [1:03:10, 7.06s/it] 536it [1:03:17, 6.95s/it] 537it [1:03:24, 6.93s/it] 538it [1:03:31, 6.93s/it] 539it [1:03:37, 6.90s/it] 540it [1:03:44, 6.84s/it] 541it 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6.50s/it] 925it [1:48:32, 6.52s/it] 926it [1:48:39, 6.53s/it] 927it [1:48:45, 6.50s/it] 928it [1:48:52, 6.49s/it] 929it [1:48:58, 6.48s/it] 930it [1:49:05, 6.47s/it] 931it [1:49:11, 6.60s/it] 932it [1:49:18, 6.75s/it] 933it [1:49:26, 6.82s/it] 934it [1:49:32, 6.80s/it] 935it [1:49:39, 6.79s/it] 936it [1:49:46, 6.72s/it] 937it [1:49:52, 6.70s/it] 938it [1:49:59, 6.65s/it] 939it [1:50:05, 6.65s/it] 940it [1:50:12, 6.65s/it] 941it [1:50:19, 6.72s/it] 942it [1:50:26, 6.76s/it] 943it [1:50:33, 6.78s/it] 944it [1:50:39, 6.78s/it] 945it [1:50:46, 6.79s/it] 946it [1:50:53, 6.75s/it] 947it [1:51:00, 6.79s/it] 948it [1:51:07, 6.96s/it] 949it [1:51:15, 7.15s/it] 950it [1:51:22, 7.21s/it] 951it [1:51:29, 7.16s/it] 952it [1:51:36, 7.16s/it] 953it [1:51:43, 7.09s/it] 954it [1:51:50, 7.04s/it] 955it [1:51:57, 7.02s/it] 956it [1:52:04, 6.89s/it] 957it [1:52:10, 6.80s/it] 958it [1:52:17, 6.82s/it] 959it [1:52:24, 6.81s/it] 960it [1:52:31, 6.82s/it] 961it [1:52:37, 6.79s/it] 962it [1:52:44, 6.80s/it] 963it [1:52:51, 6.73s/it] 964it [1:52:58, 6.78s/it] 965it [1:53:05, 6.94s/it] 966it [1:53:13, 7.11s/it] 967it [1:53:20, 7.15s/it] 968it [1:53:27, 7.06s/it] 969it [1:53:34, 7.04s/it] 970it [1:53:41, 6.99s/it] 971it [1:53:47, 6.98s/it] 972it [1:53:54, 6.96s/it] 973it [1:54:01, 6.81s/it] 974it [1:54:07, 6.75s/it] 975it [1:54:14, 6.79s/it] 976it [1:54:21, 6.80s/it] 977it [1:54:28, 6.76s/it] 978it [1:54:34, 6.72s/it] 979it [1:54:41, 6.68s/it] 980it [1:54:48, 6.67s/it] 981it [1:54:55, 6.80s/it] 982it [1:55:02, 6.94s/it] 983it [1:55:09, 7.07s/it] 984it [1:55:16, 7.02s/it] 985it [1:55:23, 6.98s/it] 986it [1:55:30, 6.96s/it] 987it [1:55:37, 6.92s/it] 988it [1:55:44, 6.87s/it] 989it [1:55:50, 6.82s/it] 990it [1:55:57, 6.69s/it] 991it [1:56:04, 6.70s/it] 992it [1:56:10, 6.70s/it] 993it [1:56:17, 6.68s/it] 994it [1:56:23, 6.66s/it] 995it [1:56:30, 6.64s/it] 996it [1:56:37, 6.61s/it] 997it [1:56:43, 6.61s/it] 998it [1:56:50, 6.73s/it] 999it [1:56:57, 6.85s/it] 1000it [1:57:05, 6.97s/it] 1000it [1:57:05, 7.03s/it]
Error counts:
cyclic_id: 0
cyclic_inchikey: 0
cyclic_scaffold: 0
cyclic_mwt: 0
cyclic_clogp: 0
cyclic_tpsa: 0
⏰ Completed process in 1:57:22.750854
+ rm /nemo/lab/johnsone/home/users/johnsoe/data/datasets/cyc-pep-6-12mer-70M-2024/train/cyc-pep-6-12mer-70M_21.csv