+ 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_24.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_24.csv + awk -F, -v OFS=, '1 { print $8, $1, $2, $10, $3 }' + schemist convert -f csv --column cysteine_to_N_cyclization --to id inchikey scaffold mwt clogp tpsa --prefix cyclic_ --options prefix=SCB- ++ zcat /nemo/lab/johnsone/home/users/johnsoe/data/datasets/rapid_6-12b/240425_rapid_6-12.tsv.gz + gzip --best ++ tr ' ' , ++ head -n1 🚀 Converting between string representations with the following parameters: subcommand: convert output: <_io.TextIOWrapper name='' mode='w' encoding='utf-8'> format: csv input: <_io.TextIOWrapper name='' 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: 0it [00:00, ?it/s] 1it [00:07, 7.48s/it] 2it [00:14, 7.47s/it] 3it [00:22, 7.46s/it] 4it [00:30, 7.67s/it] 5it [00:38, 7.84s/it] 6it [00:46, 7.92s/it] 7it [00:54, 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51it [06:23, 7.44s/it] 52it [06:30, 7.45s/it] 53it [06:37, 7.38s/it] 54it [06:45, 7.45s/it] 55it [06:53, 7.61s/it] 56it [07:01, 7.82s/it] 57it [07:09, 7.86s/it] 58it [07:17, 7.79s/it] 59it [07:24, 7.77s/it] 60it [07:32, 7.71s/it] 61it [07:40, 7.69s/it] 62it [07:47, 7.64s/it] 63it [07:54, 7.41s/it] 64it [08:01, 7.28s/it] 65it [08:08, 7.28s/it] 66it [08:16, 7.27s/it] 67it [08:23, 7.22s/it] 68it [08:30, 7.14s/it] 69it [08:37, 7.11s/it] 70it [08:44, 7.07s/it] 71it [08:51, 7.17s/it] 72it [08:59, 7.29s/it] 73it [09:06, 7.44s/it] 74it [09:14, 7.39s/it] 75it [09:21, 7.33s/it] 76it [09:28, 7.31s/it] 77it [09:35, 7.28s/it] 78it [09:42, 7.22s/it] 79it [09:49, 7.17s/it] 80it [09:57, 7.13s/it] 81it [10:04, 7.18s/it] 82it [10:11, 7.29s/it] 83it [10:19, 7.33s/it] 84it [10:26, 7.31s/it] 85it [10:33, 7.29s/it] 86it [10:41, 7.28s/it] 87it [10:48, 7.27s/it] 88it [10:56, 7.41s/it] 89it [11:03, 7.56s/it] 90it [11:12, 7.71s/it] 91it [11:19, 7.70s/it] 92it [11:27, 7.65s/it] 93it [11:34, 7.66s/it] 94it 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[1:57:13, 7.61s/it] 890it [1:57:20, 7.61s/it] 891it [1:57:28, 7.64s/it] 892it [1:57:36, 7.73s/it] 893it [1:57:44, 7.81s/it] 894it [1:57:52, 7.81s/it] 895it [1:57:59, 7.70s/it] 896it [1:58:07, 7.83s/it] 897it [1:58:15, 7.92s/it] 898it [1:58:24, 8.03s/it] 899it [1:58:32, 8.00s/it] 900it [1:58:40, 7.97s/it] 901it [1:58:48, 8.07s/it] 902it [1:58:56, 8.08s/it] 903it [1:59:04, 7.98s/it] 904it [1:59:11, 7.87s/it] 905it [1:59:19, 7.80s/it] 906it [1:59:26, 7.68s/it] 907it [1:59:34, 7.66s/it] 908it [1:59:42, 7.71s/it] 909it [1:59:50, 7.71s/it] 910it [1:59:57, 7.69s/it] 911it [2:00:05, 7.67s/it] 912it [2:00:12, 7.58s/it] 913it [2:00:20, 7.73s/it] 914it [2:00:28, 7.82s/it] 915it [2:00:37, 7.98s/it] 916it [2:00:44, 7.91s/it] 917it [2:00:52, 7.80s/it] 918it [2:00:59, 7.73s/it] 919it [2:01:07, 7.67s/it] 920it [2:01:15, 7.62s/it] 921it [2:01:22, 7.64s/it] 922it [2:01:29, 7.50s/it] 923it [2:01:37, 7.50s/it] 924it [2:01:45, 7.58s/it] 925it [2:01:52, 7.57s/it] 926it [2:01:59, 7.49s/it] 927it [2:02:07, 7.41s/it] 928it [2:02:14, 7.42s/it] 929it [2:02:22, 7.54s/it] 930it [2:02:30, 7.63s/it] 931it [2:02:38, 7.76s/it] 932it [2:02:46, 7.94s/it] 933it [2:02:54, 7.88s/it] 934it [2:03:02, 7.77s/it] 935it [2:03:09, 7.72s/it] 936it [2:03:17, 7.69s/it] 937it [2:03:25, 7.77s/it] 938it [2:03:32, 7.67s/it] 939it [2:03:39, 7.34s/it] 940it [2:03:46, 7.21s/it] 941it [2:03:53, 7.19s/it] 942it [2:04:00, 7.10s/it] 943it [2:04:06, 6.97s/it] 944it [2:04:13, 6.87s/it] 945it [2:04:20, 6.82s/it] 946it [2:04:26, 6.75s/it] 947it [2:04:34, 7.05s/it] 948it [2:04:41, 7.14s/it] 949it [2:04:49, 7.26s/it] 950it [2:04:56, 7.24s/it] 951it [2:05:03, 7.19s/it] 952it [2:05:10, 7.15s/it] 953it [2:05:17, 7.09s/it] 954it [2:05:24, 6.97s/it] 955it [2:05:31, 6.90s/it] 956it [2:05:38, 6.93s/it] 957it [2:05:44, 6.92s/it] 958it [2:05:52, 6.98s/it] 959it [2:05:59, 6.99s/it] 960it [2:06:06, 6.97s/it] 961it [2:06:13, 6.99s/it] 962it [2:06:19, 6.93s/it] 963it [2:06:26, 6.90s/it] 964it [2:06:34, 7.09s/it] 965it [2:06:41, 7.17s/it] 966it [2:06:48, 7.25s/it] 967it [2:06:56, 7.22s/it] 968it [2:07:03, 7.24s/it] 969it [2:07:10, 7.22s/it] 970it [2:07:17, 7.21s/it] 971it [2:07:24, 7.16s/it] 972it [2:07:31, 7.06s/it] 973it [2:07:38, 7.12s/it] 974it [2:07:46, 7.12s/it] 975it [2:07:53, 7.14s/it] 976it [2:08:00, 7.22s/it] 977it [2:08:07, 7.22s/it] 978it [2:08:15, 7.32s/it] 979it [2:08:22, 7.31s/it] 980it [2:08:30, 7.36s/it] 981it [2:08:37, 7.46s/it] 982it [2:08:46, 7.67s/it] 983it [2:08:53, 7.71s/it] 984it [2:09:01, 7.66s/it] 985it [2:09:09, 7.73s/it] 986it [2:09:17, 7.74s/it] 987it [2:09:24, 7.76s/it] 988it [2:09:32, 7.75s/it] 989it [2:09:39, 7.61s/it] 990it [2:09:46, 7.42s/it] 991it [2:09:54, 7.47s/it] 992it [2:10:01, 7.36s/it] 993it [2:10:08, 7.33s/it] 994it [2:10:16, 7.34s/it] 995it [2:10:23, 7.42s/it] 996it [2:10:31, 7.37s/it] 997it [2:10:38, 7.45s/it] 998it [2:10:46, 7.59s/it] 999it [2:10:54, 7.68s/it] 1000it [2:11:02, 7.65s/it] 1000it [2:11:02, 7.86s/it] Error counts: cyclic_id: 0 cyclic_inchikey: 0 cyclic_scaffold: 0 cyclic_mwt: 0 cyclic_clogp: 0 cyclic_tpsa: 0 ⏰ Completed process in 2:11:19.188644 + rm /nemo/lab/johnsone/home/users/johnsoe/data/datasets/cyc-pep-6-12mer-70M-2024/train/cyc-pep-6-12mer-70M_24.csv