+ 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_11.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_11.csv ++ zcat /nemo/lab/johnsone/home/users/johnsoe/data/datasets/rapid_6-12b/240425_rapid_6-12.tsv.gz + schemist convert -f csv --column cysteine_to_N_cyclization --to id inchikey scaffold mwt clogp tpsa --prefix cyclic_ --options prefix=SCB- + 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 [00:10, 10.41s/it] 2it [00:20, 10.30s/it] 3it [00:31, 10.39s/it] 4it [00:41, 10.37s/it] 5it [00:51, 10.36s/it] 6it [01:02, 10.33s/it] 7it [01:12, 10.32s/it] 8it [01:22, 10.33s/it] 9it [01:33, 10.34s/it] 10it [01:43, 10.32s/it] 11it [01:53, 10.32s/it] 12it [02:03, 10.31s/it] 13it [02:14, 10.32s/it] 14it [02:24, 10.34s/it] 15it [02:34, 10.31s/it] 16it [02:45, 10.34s/it] 17it [02:55, 10.34s/it] 18it [03:06, 10.36s/it] 19it [03:16, 10.37s/it] 20it [03:26, 10.36s/it] 21it [03:37, 10.37s/it] 22it [03:47, 10.36s/it] 23it [03:57, 10.37s/it] 24it [04:08, 10.36s/it] 25it [04:18, 10.37s/it] 26it [04:29, 10.48s/it] 27it [04:39, 10.43s/it] 28it [04:50, 10.39s/it] 29it [05:00, 10.41s/it] 30it [05:10, 10.40s/it] 31it [05:21, 10.38s/it] 32it [05:31, 10.41s/it] 33it [05:42, 10.41s/it] 34it [05:52, 10.40s/it] 35it [06:02, 10.39s/it] 36it [06:13, 10.41s/it] 37it [06:23, 10.41s/it] 38it [06:34, 10.40s/it] 39it [06:44, 10.41s/it] 40it [06:54, 10.42s/it] 41it [07:05, 10.42s/it] 42it [07:15, 10.41s/it] 43it [07:26, 10.41s/it] 44it [07:36, 10.38s/it] 45it [07:46, 10.38s/it] 46it [07:57, 10.39s/it] 47it [08:07, 10.39s/it] 48it [08:17, 10.36s/it] 49it [08:28, 10.34s/it] 50it [08:38, 10.36s/it] 51it [08:49, 10.39s/it] 52it [08:59, 10.38s/it] 53it [09:09, 10.36s/it] 54it [09:20, 10.37s/it] 55it [09:30, 10.39s/it] 56it [09:41, 10.42s/it] 57it [09:51, 10.41s/it] 58it [10:01, 10.39s/it] 59it [10:12, 10.42s/it] 60it [10:22, 10.39s/it] 61it [10:32, 10.37s/it] 62it [10:43, 10.36s/it] 63it [10:53, 10.35s/it] 64it [11:03, 10.36s/it] 65it [11:14, 10.36s/it] 66it [11:24, 10.36s/it] 67it [11:35, 10.34s/it] 68it [11:45, 10.36s/it] 69it [11:55, 10.38s/it] 70it [12:06, 10.36s/it] 71it [12:16, 10.33s/it] 72it [12:26, 10.34s/it] 73it [12:37, 10.34s/it] 74it [12:47, 10.34s/it] 75it [12:57, 10.24s/it] 76it [13:07, 10.15s/it] 77it [13:17, 10.10s/it] 78it [13:27, 10.03s/it] 79it [13:37, 10.03s/it] 80it [13:47, 10.01s/it] 81it [13:57, 10.01s/it] 82it [14:07, 10.08s/it] 83it [14:17, 10.16s/it] 84it [14:27, 10.11s/it] 85it [14:37, 10.05s/it] 86it [14:47, 10.03s/it] 87it [14:57, 10.05s/it] 88it [15:07, 10.03s/it] 89it [15:17, 10.04s/it] 90it [15:27, 10.02s/it] 91it [15:37, 10.02s/it] 92it [15:47, 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[49:31, 10.10s/it] 294it [49:41, 10.11s/it] 295it [49:52, 10.11s/it] 296it [50:02, 10.11s/it] 297it [50:12, 10.11s/it] 298it [50:22, 10.09s/it] 299it [50:32, 10.07s/it] 300it [50:42, 10.08s/it] 301it [50:52, 10.09s/it] 302it [51:02, 10.09s/it] 303it [51:12, 10.08s/it] 304it [51:22, 10.10s/it] 305it [51:32, 10.09s/it] 306it [51:42, 10.07s/it] 307it [51:53, 10.08s/it] 308it [52:03, 10.06s/it] 309it [52:13, 10.07s/it] 310it [52:23, 10.05s/it] 311it [52:33, 10.05s/it] 312it [52:43, 10.08s/it] 313it [52:53, 10.08s/it] 314it [53:03, 10.08s/it] 315it [53:13, 10.07s/it] 316it [53:23, 10.05s/it] 317it [53:33, 10.07s/it] 318it [53:43, 10.06s/it] 319it [53:53, 10.05s/it] 320it [54:03, 10.08s/it] 321it [54:14, 10.09s/it] 322it [54:24, 10.10s/it] 323it [54:34, 10.12s/it] 324it [54:44, 10.12s/it] 325it [54:54, 10.14s/it] 326it [55:04, 10.14s/it] 327it [55:14, 10.12s/it] 328it [55:24, 10.11s/it] 329it [55:34, 10.10s/it] 330it [55:45, 10.10s/it] 331it [55:55, 10.09s/it] 332it [56:05, 10.10s/it] 333it [56:15, 10.09s/it] 334it [56:25, 10.08s/it] 335it [56:35, 10.06s/it] 336it [56:45, 10.09s/it] 337it [56:55, 10.08s/it] 338it [57:05, 10.09s/it] 339it [57:15, 10.07s/it] 340it [57:25, 10.07s/it] 341it [57:35, 10.05s/it] 342it [57:45, 10.05s/it] 343it [57:55, 10.04s/it] 344it [58:05, 10.03s/it] 345it [58:15, 10.03s/it] 346it [58:26, 10.05s/it] 347it [58:36, 10.05s/it] 348it [58:46, 10.07s/it] 349it [58:56, 10.06s/it] 350it [59:06, 10.05s/it] 351it [59:16, 10.03s/it] 352it [59:26, 10.05s/it] 353it [59:36, 10.06s/it] 354it [59:46, 10.07s/it] 355it [59:56, 10.06s/it] 356it [1:00:06, 10.08s/it] 357it [1:00:16, 10.09s/it] 358it [1:00:26, 10.08s/it] 359it [1:00:36, 10.07s/it] 360it [1:00:47, 10.09s/it] 361it [1:00:57, 10.09s/it] 362it [1:01:07, 10.11s/it] 363it [1:01:17, 10.09s/it] 364it [1:01:27, 10.07s/it] 365it [1:01:37, 10.06s/it] 366it [1:01:47, 10.06s/it] 367it [1:01:57, 10.06s/it] 368it [1:02:07, 10.08s/it] 369it [1:02:17, 10.08s/it] 370it [1:02:27, 10.07s/it] 371it [1:02:37, 10.06s/it] 372it [1:02:47, 10.02s/it] 373it [1:02:57, 10.03s/it] 374it [1:03:07, 10.03s/it] 375it [1:03:17, 10.05s/it] 376it [1:03:27, 10.02s/it] 377it [1:03:37, 9.99s/it] 378it [1:03:47, 10.01s/it] 379it [1:03:57, 10.02s/it] 380it [1:04:07, 10.00s/it] 381it [1:04:17, 10.01s/it] 382it [1:04:27, 10.00s/it] 383it [1:04:37, 10.01s/it] 384it [1:04:47, 10.00s/it] 385it [1:04:57, 10.01s/it] 386it [1:05:07, 10.03s/it] 387it [1:05:18, 10.05s/it] 388it [1:05:28, 10.09s/it] 389it [1:05:38, 10.08s/it] 390it [1:05:48, 10.07s/it] 391it [1:05:58, 10.05s/it] 392it [1:06:08, 10.07s/it] 393it [1:06:18, 10.08s/it] 394it [1:06:28, 10.10s/it] 395it [1:06:38, 10.07s/it] 396it [1:06:48, 10.10s/it] 397it [1:06:58, 10.10s/it] 398it [1:07:09, 10.10s/it] 399it [1:07:19, 10.10s/it] 400it [1:07:29, 10.09s/it] 401it [1:07:39, 10.10s/it] 402it [1:07:49, 10.08s/it] 403it [1:07:59, 10.10s/it] 404it [1:08:09, 10.09s/it] 405it [1:08:19, 10.10s/it] 406it [1:08:29, 10.10s/it] 407it [1:08:39, 10.09s/it] 408it [1:08:49, 10.09s/it] 409it [1:08:59, 10.03s/it] 410it [1:09:09, 10.04s/it] 411it [1:09:19, 10.05s/it] 412it [1:09:30, 10.06s/it] 413it [1:09:40, 10.06s/it] 414it [1:09:50, 10.06s/it] 415it [1:10:00, 10.05s/it] 416it [1:10:10, 10.09s/it] 417it [1:10:20, 10.09s/it] 418it [1:10:30, 10.06s/it] 419it [1:10:40, 10.07s/it] 420it [1:10:50, 10.08s/it] 421it [1:11:00, 10.09s/it] 422it [1:11:10, 10.09s/it] 423it [1:11:20, 10.08s/it] 424it [1:11:31, 10.11s/it] 425it [1:11:41, 10.10s/it] 426it [1:11:51, 10.12s/it] 427it [1:12:01, 10.12s/it] 428it [1:12:11, 10.12s/it] 429it [1:12:21, 10.10s/it] 430it [1:12:31, 10.10s/it] 431it [1:12:41, 10.09s/it] 432it [1:12:51, 10.10s/it] 433it [1:13:01, 10.08s/it] 434it [1:13:12, 10.09s/it] 435it [1:13:22, 10.11s/it] 436it [1:13:32, 10.09s/it] 437it [1:13:42, 10.11s/it] 438it [1:13:52, 10.10s/it] 439it [1:14:02, 10.10s/it] 440it [1:14:12, 10.10s/it] 441it [1:14:22, 10.08s/it] 442it [1:14:32, 10.08s/it] 443it [1:14:42, 10.07s/it] 444it [1:14:52, 10.08s/it] 445it [1:15:03, 10.10s/it] 446it [1:15:13, 10.12s/it] 447it [1:15:23, 10.12s/it] 448it [1:15:33, 10.14s/it] 449it [1:15:43, 10.15s/it] 450it [1:15:53, 10.13s/it] 451it [1:16:04, 10.14s/it] 452it [1:16:14, 10.12s/it] 453it [1:16:24, 10.12s/it] 454it [1:16:34, 10.09s/it] 455it [1:16:44, 10.11s/it] 456it [1:16:54, 10.12s/it] 457it [1:17:04, 10.13s/it] 458it [1:17:14, 10.12s/it] 459it [1:17:24, 10.09s/it] 460it [1:17:34, 10.11s/it] 461it [1:17:45, 10.14s/it] 462it [1:17:55, 10.13s/it] 463it [1:18:05, 10.12s/it] 464it [1:18:15, 10.14s/it] 465it [1:18:25, 10.13s/it] 466it [1:18:35, 10.12s/it] 467it [1:18:45, 10.12s/it] 468it [1:18:56, 10.13s/it] 469it [1:19:06, 10.09s/it] 470it [1:19:16, 10.09s/it] 471it [1:19:26, 10.12s/it] 472it [1:19:36, 10.09s/it] 473it [1:19:46, 10.09s/it] 474it [1:19:56, 10.11s/it] 475it [1:20:06, 10.07s/it] 476it [1:20:16, 10.09s/it] 477it [1:20:26, 10.12s/it] 478it [1:20:36, 10.08s/it] 479it [1:20:46, 10.08s/it] 480it [1:20:57, 10.12s/it] 481it [1:20:58, 7.37s/it] 481it [1:20:58, 10.10s/it] Error counts: cyclic_id: 0 cyclic_inchikey: 0 cyclic_scaffold: 0 cyclic_mwt: 0 cyclic_clogp: 0 cyclic_tpsa: 0 ⏰ Completed process in 1:21:08.538847 + rm /nemo/lab/johnsone/home/users/johnsoe/data/datasets/cyc-pep-6-12mer-70M-2024/test/cyc-pep-6-12mer-70M_11.csv