+ 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/test/cyc-pep-6-12mer-70M_08.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/test/cyc-pep-6-12mer-70M_08.csv + schemist convert -f csv --column cysteine_to_N_cyclization --to id inchikey scaffold mwt clogp tpsa --prefix cyclic_ --options prefix=SCB- ++ head -n1 + gzip --best ++ tr ' ' , ++ zcat /nemo/lab/johnsone/home/users/johnsoe/data/datasets/rapid_6-12b/240425_rapid_6-12.tsv.gz 🚀 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 [00:08, 8.17s/it] 2it [00:16, 8.30s/it] 3it [00:24, 8.36s/it] 4it [00:33, 8.30s/it] 5it [00:41, 8.30s/it] 6it [00:50, 8.38s/it] 7it [00:58, 8.45s/it] 8it [01:06, 8.36s/it] 9it [01:14, 8.27s/it] 10it 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8.70s/it] 852it [1:59:35, 8.69s/it] 853it [1:59:44, 8.71s/it] 854it [1:59:53, 8.71s/it] 855it [2:00:01, 8.70s/it] 856it [2:00:10, 8.69s/it] 857it [2:00:19, 8.70s/it] 858it [2:00:27, 8.69s/it] 859it [2:00:36, 8.70s/it] 860it [2:00:45, 8.70s/it] 861it [2:00:54, 8.72s/it] 862it [2:01:02, 8.70s/it] 863it [2:01:11, 8.71s/it] 864it [2:01:20, 8.71s/it] 865it [2:01:28, 8.70s/it] 866it [2:01:37, 8.69s/it] 867it [2:01:46, 8.67s/it] 868it [2:01:54, 8.67s/it] 869it [2:02:03, 8.68s/it] 870it [2:02:12, 8.67s/it] 871it [2:02:20, 8.68s/it] 872it [2:02:29, 8.70s/it] 873it [2:02:38, 8.69s/it] 874it [2:02:47, 8.70s/it] 875it [2:02:55, 8.69s/it] 876it [2:03:04, 8.70s/it] 877it [2:03:13, 8.70s/it] 878it [2:03:21, 8.71s/it] 879it [2:03:30, 8.70s/it] 880it [2:03:39, 8.71s/it] 881it [2:03:47, 8.69s/it] 882it [2:03:56, 8.70s/it] 883it [2:04:05, 8.69s/it] 884it [2:04:13, 8.69s/it] 885it [2:04:22, 8.68s/it] 886it [2:04:31, 8.70s/it] 887it [2:04:40, 8.71s/it] 888it [2:04:48, 8.72s/it] 889it [2:04:57, 8.71s/it] 890it [2:05:06, 8.69s/it] 891it [2:05:14, 8.69s/it] 892it [2:05:23, 8.68s/it] 893it [2:05:32, 8.68s/it] 894it [2:05:40, 8.67s/it] 895it [2:05:49, 8.65s/it] 896it [2:05:58, 8.65s/it] 897it [2:06:06, 8.66s/it] 898it [2:06:15, 8.65s/it] 899it [2:06:24, 8.65s/it] 900it [2:06:32, 8.65s/it] 901it [2:06:41, 8.64s/it] 902it [2:06:50, 8.65s/it] 903it [2:06:58, 8.65s/it] 904it [2:07:07, 8.64s/it] 905it [2:07:15, 8.63s/it] 906it [2:07:24, 8.64s/it] 907it [2:07:33, 8.66s/it] 908it [2:07:41, 8.63s/it] 909it [2:07:50, 8.64s/it] 910it [2:07:59, 8.64s/it] 911it [2:08:07, 8.66s/it] 912it [2:08:16, 8.65s/it] 913it [2:08:25, 8.65s/it] 914it [2:08:33, 8.65s/it] 915it [2:08:42, 8.64s/it] 916it [2:08:50, 8.63s/it] 917it [2:08:59, 8.63s/it] 918it [2:09:08, 8.64s/it] 919it [2:09:16, 8.62s/it] 920it [2:09:25, 8.63s/it] 921it [2:09:34, 8.62s/it] 922it [2:09:42, 8.63s/it] 923it [2:09:51, 8.62s/it] 924it [2:09:59, 8.63s/it] 925it [2:10:08, 8.63s/it] 926it [2:10:17, 8.64s/it] 927it [2:10:25, 8.62s/it] 928it [2:10:34, 8.62s/it] 929it [2:10:43, 8.63s/it] 930it [2:10:51, 8.64s/it] 931it [2:11:00, 8.61s/it] 932it [2:11:09, 8.62s/it] 933it [2:11:17, 8.64s/it] 934it [2:11:26, 8.65s/it] 935it [2:11:35, 8.65s/it] 936it [2:11:43, 8.66s/it] 937it [2:11:52, 8.65s/it] 938it [2:12:00, 8.64s/it] 939it [2:12:09, 8.62s/it] 940it [2:12:18, 8.63s/it] 941it [2:12:26, 8.64s/it] 942it [2:12:35, 8.65s/it] 943it [2:12:44, 8.66s/it] 944it [2:12:52, 8.65s/it] 945it [2:13:01, 8.66s/it] 946it [2:13:10, 8.67s/it] 947it [2:13:18, 8.68s/it] 948it [2:13:27, 8.68s/it] 949it [2:13:36, 8.67s/it] 950it [2:13:44, 8.67s/it] 951it [2:13:53, 8.67s/it] 952it [2:14:02, 8.67s/it] 953it [2:14:10, 8.66s/it] 954it [2:14:19, 8.67s/it] 955it [2:14:28, 8.67s/it] 956it [2:14:36, 8.65s/it] 957it [2:14:45, 8.65s/it] 958it [2:14:54, 8.65s/it] 959it [2:15:02, 8.67s/it] 960it [2:15:11, 8.66s/it] 961it [2:15:20, 8.66s/it] 962it [2:15:28, 8.65s/it] 963it [2:15:37, 8.67s/it] 964it [2:15:46, 8.69s/it] 965it [2:15:54, 8.68s/it] 966it [2:16:03, 8.67s/it] 967it [2:16:12, 8.67s/it] 968it [2:16:20, 8.64s/it] 969it [2:16:29, 8.66s/it] 970it [2:16:38, 8.67s/it] 971it [2:16:46, 8.66s/it] 972it [2:16:55, 8.66s/it] 973it [2:17:04, 8.65s/it] 974it [2:17:12, 8.68s/it] 975it [2:17:21, 8.67s/it] 976it [2:17:30, 8.66s/it] 977it [2:17:38, 8.66s/it] 978it [2:17:47, 8.65s/it] 979it [2:17:56, 8.66s/it] 980it [2:18:04, 8.64s/it] 981it [2:18:13, 8.64s/it] 982it [2:18:21, 8.64s/it] 983it [2:18:30, 8.63s/it] 984it [2:18:39, 8.64s/it] 985it [2:18:47, 8.64s/it] 986it [2:18:56, 8.64s/it] 987it [2:19:05, 8.64s/it] 988it [2:19:13, 8.64s/it] 989it [2:19:22, 8.65s/it] 990it [2:19:31, 8.66s/it] 991it [2:19:39, 8.64s/it] 992it [2:19:48, 8.64s/it] 993it [2:19:56, 8.64s/it] 994it [2:20:05, 8.65s/it] 995it [2:20:14, 8.66s/it] 996it [2:20:23, 8.67s/it] 997it [2:20:31, 8.68s/it] 998it [2:20:40, 8.67s/it] 999it [2:20:49, 8.67s/it] 1000it [2:20:57, 8.69s/it] 1000it [2:20:57, 8.46s/it] Error counts: cyclic_id: 0 cyclic_inchikey: 0 cyclic_scaffold: 0 cyclic_mwt: 0 cyclic_clogp: 0 cyclic_tpsa: 0 ⏰ Completed process in 2:21:16.221649 + rm /nemo/lab/johnsone/home/users/johnsoe/data/datasets/cyc-pep-6-12mer-70M-2024/test/cyc-pep-6-12mer-70M_08.csv