cyc-pep-6-12mer-70M-2024 / validation /cyc-pep-6-12mer-70M_02.log
eachanjohnson's picture
Fix header (#2)
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+ 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_02.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_02.csv
+ schemist convert -f csv --column cysteine_to_N_cyclization --to id inchikey scaffold mwt clogp tpsa --prefix cyclic_ --options prefix=SCB-
+ gzip --best
++ head -n1
+ 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
++ tr ' ' ,
🚀 Converting between string representations with the following parameters:
subcommand: convert
output: <_io.TextIOWrapper name='<stdout>' mode='w' encoding='utf-8'>
format: csv
input: <_io.TextIOWrapper name='<stdin>' 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: <function _convert at 0x7f623cb93240>
0it [00:00, ?it/s] 1it [00:14, 14.57s/it] 2it [00:28, 14.34s/it] 3it [00:42, 14.15s/it] 4it [00:56, 14.17s/it] 5it [01:11, 14.27s/it] 6it [01:25, 14.32s/it] 7it [01:40, 14.31s/it] 8it [01:54, 14.23s/it] 9it [02:08, 14.36s/it] 10it [02:20, 13.67s/it] 11it [02:33, 13.24s/it] 12it [02:45, 12.87s/it] 13it [02:57, 12.61s/it] 14it [03:09, 12.54s/it] 15it [03:21, 12.46s/it] 16it [03:34, 12.41s/it] 17it [03:46, 12.29s/it] 18it [03:58, 12.18s/it] 19it [04:10, 12.20s/it] 20it [04:22, 12.26s/it] 21it [04:35, 12.31s/it] 22it [04:47, 12.31s/it] 23it [04:59, 12.25s/it] 24it [05:11, 12.22s/it] 25it [05:23, 12.23s/it] 26it [05:36, 12.25s/it] 27it [05:48, 12.24s/it] 28it [06:00, 12.19s/it] 29it [06:12, 12.14s/it] 30it [06:25, 12.23s/it] 31it [06:37, 12.26s/it] 32it [06:49, 12.27s/it] 33it [07:01, 12.21s/it] 34it [07:13, 12.17s/it] 35it [07:26, 12.21s/it] 36it [07:38, 12.26s/it] 37it [07:50, 12.33s/it] 38it [08:03, 12.35s/it] 39it [08:15, 12.30s/it] 40it [08:29, 12.95s/it] 41it [08:44, 13.47s/it] 42it 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950it [3:16:09, 12.46s/it] 951it [3:16:22, 12.48s/it] 952it [3:16:34, 12.52s/it] 953it [3:16:47, 12.55s/it] 954it [3:16:59, 12.48s/it] 955it [3:17:12, 12.48s/it] 956it [3:17:24, 12.48s/it] 957it [3:17:37, 12.50s/it] 958it [3:17:49, 12.50s/it] 959it [3:18:01, 12.40s/it] 960it [3:18:14, 12.32s/it] 961it [3:18:26, 12.38s/it] 962it [3:18:39, 12.51s/it] 963it [3:18:51, 12.50s/it] 964it [3:19:04, 12.47s/it] 965it [3:19:16, 12.41s/it] 966it [3:19:28, 12.38s/it] 967it [3:19:41, 12.35s/it] 968it [3:19:53, 12.36s/it] 969it [3:20:05, 12.31s/it] 970it [3:20:17, 12.29s/it] 971it [3:20:30, 12.29s/it] 972it [3:20:42, 12.27s/it] 973it [3:20:54, 12.29s/it] 974it [3:21:06, 12.25s/it] 975it [3:21:19, 12.25s/it] 976it [3:21:31, 12.29s/it] 977it [3:21:43, 12.31s/it] 978it [3:21:56, 12.32s/it] 979it [3:22:08, 12.35s/it] 980it [3:22:20, 12.29s/it] 981it [3:22:33, 12.32s/it] 982it [3:22:45, 12.30s/it] 983it [3:22:57, 12.30s/it] 984it [3:23:10, 12.33s/it] 985it [3:23:22, 12.31s/it] 986it [3:23:34, 12.32s/it] 987it [3:23:47, 12.30s/it] 988it [3:23:59, 12.32s/it] 989it [3:24:11, 12.36s/it] 990it [3:24:24, 12.34s/it] 991it [3:24:37, 12.67s/it] 992it [3:24:49, 12.60s/it] 993it [3:25:02, 12.45s/it] 994it [3:25:14, 12.42s/it] 995it [3:25:26, 12.40s/it] 996it [3:25:39, 12.37s/it] 997it [3:25:51, 12.36s/it] 998it [3:26:03, 12.37s/it] 999it [3:26:15, 12.10s/it] 1000it [3:26:27, 12.17s/it] 1000it [3:26:27, 12.39s/it]
Error counts:
cyclic_id: 0
cyclic_inchikey: 0
cyclic_scaffold: 0
cyclic_mwt: 0
cyclic_clogp: 0
cyclic_tpsa: 0
⏰ Completed process in 3:26:52.961739
+ rm /nemo/lab/johnsone/home/users/johnsoe/data/datasets/cyc-pep-6-12mer-70M-2024/validation/cyc-pep-6-12mer-70M_02.csv