+ 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_06.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 }' ']' + awk -F, -v OFS=, '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_06.csv + schemist convert -f csv --column cysteine_to_N_cyclization --to id inchikey scaffold mwt clogp tpsa --prefix cyclic_ --options prefix=SCB- + gzip --best ++ zcat /nemo/lab/johnsone/home/users/johnsoe/data/datasets/rapid_6-12b/240425_rapid_6-12.tsv.gz ++ head -n1 ++ tr ' ' , 🚀 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 [00:11, 11.89s/it] 2it [00:23, 11.67s/it] 3it [00:34, 11.61s/it] 4it [00:46, 11.63s/it] 5it [00:58, 11.65s/it] 6it [01:09, 11.63s/it] 7it [01:21, 11.68s/it] 8it [01:33, 11.69s/it] 9it [01:44, 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[10:12, 12.07s/it] 52it [10:24, 12.06s/it] 53it [10:36, 12.03s/it] 54it [10:48, 12.04s/it] 55it [11:00, 12.02s/it] 56it [11:12, 12.01s/it] 57it [11:24, 11.98s/it] 58it [11:36, 11.98s/it] 59it [11:48, 11.96s/it] 60it [12:00, 11.95s/it] 61it [12:12, 11.98s/it] 62it [12:24, 11.94s/it] 63it [12:36, 11.97s/it] 64it [12:48, 11.98s/it] 65it [13:00, 12.01s/it] 66it [13:12, 11.95s/it] 67it [13:24, 11.97s/it] 68it [13:36, 11.98s/it] 69it [13:48, 12.01s/it] 70it [14:00, 11.99s/it] 71it [14:12, 11.99s/it] 72it [14:24, 12.00s/it] 73it [14:36, 11.96s/it] 74it [14:48, 11.97s/it] 75it [15:00, 12.01s/it] 76it [15:12, 11.91s/it] 77it [15:23, 11.87s/it] 78it [15:35, 11.86s/it] 79it [15:47, 11.83s/it] 80it [15:59, 11.85s/it] 81it [16:11, 11.88s/it] 82it [16:23, 11.83s/it] 83it [16:34, 11.83s/it] 84it [16:46, 11.80s/it] 85it [16:58, 11.73s/it] 86it [17:09, 11.72s/it] 87it [17:21, 11.70s/it] 88it [17:33, 11.82s/it] 89it [17:45, 11.87s/it] 90it [17:57, 11.93s/it] 91it [18:09, 11.96s/it] 92it [18:21, 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959it [3:16:04, 13.16s/it] 960it [3:16:17, 13.18s/it] 961it [3:16:30, 13.19s/it] 962it [3:16:44, 13.25s/it] 963it [3:16:57, 13.30s/it] 964it [3:17:10, 13.26s/it] 965it [3:17:23, 13.23s/it] 966it [3:17:36, 13.14s/it] 967it [3:17:49, 13.16s/it] 968it [3:18:03, 13.20s/it] 969it [3:18:16, 13.20s/it] 970it [3:18:29, 13.27s/it] 971it [3:18:43, 13.24s/it] 972it [3:18:56, 13.25s/it] 973it [3:19:09, 13.30s/it] 974it [3:19:22, 13.28s/it] 975it [3:19:36, 13.27s/it] 976it [3:19:49, 13.30s/it] 977it [3:20:02, 13.32s/it] 978it [3:20:16, 13.30s/it] 979it [3:20:29, 13.30s/it] 980it [3:20:42, 13.28s/it] 981it [3:20:56, 13.28s/it] 982it [3:21:09, 13.25s/it] 983it [3:21:22, 13.21s/it] 984it [3:21:35, 13.22s/it] 985it [3:21:48, 13.22s/it] 986it [3:22:01, 13.19s/it] 987it [3:22:15, 13.20s/it] 988it [3:22:28, 13.20s/it] 989it [3:22:41, 13.20s/it] 990it [3:22:54, 13.19s/it] 991it [3:23:07, 13.17s/it] 992it [3:23:21, 13.19s/it] 993it [3:23:34, 13.18s/it] 994it [3:23:47, 13.24s/it] 995it [3:24:00, 13.21s/it] 996it [3:24:14, 13.24s/it] 997it [3:24:27, 13.26s/it] 998it [3:24:40, 13.20s/it] 999it [3:24:53, 13.19s/it] 1000it [3:25:06, 13.23s/it] 1000it [3:25:06, 12.31s/it] Error counts: cyclic_id: 0 cyclic_inchikey: 0 cyclic_scaffold: 0 cyclic_mwt: 0 cyclic_clogp: 0 cyclic_tpsa: 0 ⏰ Completed process in 3:25:30.156492 + rm /nemo/lab/johnsone/home/users/johnsoe/data/datasets/cyc-pep-6-12mer-70M-2024/train/cyc-pep-6-12mer-70M_06.csv