+ 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/validation/cyc-pep-6-12mer-70M_04.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/validation/cyc-pep-6-12mer-70M_04.csv + 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 + gzip --best + schemist convert -f csv --column cysteine_to_N_cyclization --to id inchikey scaffold mwt clogp tpsa --prefix cyclic_ --options prefix=SCB- ++ 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 [00:12, 12.57s/it] 2it [00:25, 12.56s/it] 3it [00:37, 12.54s/it] 4it [00:50, 12.51s/it] 5it [01:02, 12.54s/it] 6it [01:15, 12.53s/it] 7it 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[3:07:36, 6.58s/it] 922it [3:07:42, 6.59s/it] 923it [3:07:49, 6.59s/it] 924it [3:07:56, 6.70s/it] 925it [3:08:03, 6.67s/it] 926it [3:08:09, 6.58s/it] 927it [3:08:15, 6.51s/it] 928it [3:08:22, 6.58s/it] 929it [3:08:29, 6.53s/it] 930it [3:08:35, 6.49s/it] 931it [3:08:41, 6.46s/it] 932it [3:08:48, 6.56s/it] 933it [3:08:55, 6.54s/it] 934it [3:09:01, 6.48s/it] 935it [3:09:07, 6.42s/it] 936it [3:09:14, 6.51s/it] 937it [3:09:20, 6.50s/it] 938it [3:09:27, 6.46s/it] 939it [3:09:33, 6.42s/it] 940it [3:09:40, 6.54s/it] 941it [3:09:46, 6.53s/it] 942it [3:09:53, 6.40s/it] 943it [3:09:59, 6.29s/it] 944it [3:10:05, 6.36s/it] 945it [3:10:11, 6.32s/it] 946it [3:10:17, 6.27s/it] 947it [3:10:24, 6.22s/it] 948it [3:10:30, 6.32s/it] 949it [3:10:36, 6.32s/it] 950it [3:10:43, 6.36s/it] 951it [3:10:49, 6.39s/it] 952it [3:10:56, 6.55s/it] 953it [3:11:03, 6.57s/it] 954it [3:11:09, 6.52s/it] 955it [3:11:16, 6.48s/it] 956it [3:11:22, 6.57s/it] 957it [3:11:29, 6.59s/it] 958it [3:11:35, 6.51s/it] 959it [3:11:42, 6.47s/it] 960it [3:11:49, 6.55s/it] 961it [3:11:55, 6.55s/it] 962it [3:12:01, 6.47s/it] 963it [3:12:08, 6.43s/it] 964it [3:12:14, 6.49s/it] 965it [3:12:21, 6.49s/it] 966it [3:12:27, 6.41s/it] 967it [3:12:33, 6.35s/it] 968it [3:12:40, 6.40s/it] 969it [3:12:46, 6.41s/it] 970it [3:12:52, 6.36s/it] 971it [3:12:59, 6.36s/it] 972it [3:13:05, 6.42s/it] 973it [3:13:12, 6.48s/it] 974it [3:13:18, 6.39s/it] 975it [3:13:24, 6.31s/it] 976it [3:13:31, 6.31s/it] 977it [3:13:37, 6.31s/it] 978it [3:13:43, 6.27s/it] 979it [3:13:49, 6.31s/it] 980it [3:13:56, 6.38s/it] 981it [3:14:03, 6.46s/it] 982it [3:14:09, 6.48s/it] 983it [3:14:16, 6.58s/it] 984it [3:14:23, 6.70s/it] 985it [3:14:30, 6.83s/it] 986it [3:14:37, 6.84s/it] 987it [3:14:44, 6.86s/it] 988it [3:14:51, 6.92s/it] 989it [3:14:58, 7.01s/it] 990it [3:15:05, 6.99s/it] 991it [3:15:12, 7.02s/it] 992it [3:15:19, 7.06s/it] 993it [3:15:27, 7.15s/it] 994it [3:15:34, 7.08s/it] 995it [3:15:40, 6.95s/it] 996it [3:15:47, 6.90s/it] 997it [3:15:54, 6.93s/it] 998it [3:16:01, 6.84s/it] 999it [3:16:07, 6.72s/it] 1000it [3:16:14, 6.66s/it] 1000it [3:16:14, 11.77s/it] Error counts: cyclic_id: 0 cyclic_inchikey: 0 cyclic_scaffold: 0 cyclic_mwt: 0 cyclic_clogp: 0 cyclic_tpsa: 0 ⏰ Completed process in 3:16:36.739137 + rm /nemo/lab/johnsone/home/users/johnsoe/data/datasets/cyc-pep-6-12mer-70M-2024/validation/cyc-pep-6-12mer-70M_04.csv