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cyc-pep-6-12mer-70M-2024

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cyc-pep-6-12mer-70M-2024 / test /cyc-pep-6-12mer-70M_11.log
Eachan Johnson
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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/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='<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 0x7f145a383240>
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, 10.02s/it] 93it [15:57, 10.01s/it] 94it [16:08, 10.05s/it] 95it [16:17, 10.03s/it] 96it [16:27, 10.02s/it] 97it [16:37, 10.00s/it] 98it [16:47, 9.99s/it] 99it [16:57, 9.98s/it] 100it [17:07, 9.96s/it] 101it [17:17, 9.96s/it] 102it [17:27, 10.02s/it] 103it [17:37, 10.02s/it] 104it [17:47, 9.95s/it] 105it [17:57, 9.92s/it] 106it [18:07, 9.93s/it] 107it [18:17, 9.95s/it] 108it [18:27, 9.97s/it] 109it [18:37, 9.99s/it] 110it [18:47, 10.02s/it] 111it [18:57, 10.01s/it] 112it [19:07, 10.02s/it] 113it [19:17, 10.03s/it] 114it [19:27, 10.00s/it] 115it [19:37, 9.99s/it] 116it [19:47, 10.00s/it] 117it [19:57, 10.02s/it] 118it [20:07, 10.01s/it] 119it [20:17, 10.04s/it] 120it [20:27, 10.03s/it] 121it [20:37, 10.03s/it] 122it [20:47, 10.03s/it] 123it [20:58, 10.07s/it] 124it [21:08, 10.07s/it] 125it [21:18, 10.09s/it] 126it [21:28, 10.09s/it] 127it [21:38, 10.09s/it] 128it [21:48, 10.09s/it] 129it [21:58, 10.09s/it] 130it [22:08, 10.09s/it] 131it [22:18, 10.09s/it] 132it [22:28, 10.08s/it] 133it [22:39, 10.10s/it] 134it [22:48, 10.06s/it] 135it [22:59, 10.06s/it] 136it [23:09, 10.07s/it] 137it [23:19, 10.07s/it] 138it [23:29, 10.07s/it] 139it [23:39, 10.08s/it] 140it [23:49, 10.07s/it] 141it [23:59, 10.09s/it] 142it [24:09, 10.09s/it] 143it [24:19, 10.09s/it] 144it [24:29, 10.10s/it] 145it [24:39, 10.09s/it] 146it [24:50, 10.10s/it] 147it [25:00, 10.10s/it] 148it [25:10, 10.08s/it] 149it [25:20, 10.10s/it] 150it [25:30, 10.09s/it] 151it [25:40, 10.08s/it] 152it [25:50, 10.08s/it] 153it [26:00, 10.06s/it] 154it [26:10, 10.07s/it] 155it [26:20, 10.07s/it] 156it [26:30, 10.08s/it] 157it [26:40, 10.08s/it] 158it [26:50, 10.06s/it] 159it [27:00, 10.06s/it] 160it [27:11, 10.09s/it] 161it [27:21, 10.07s/it] 162it [27:31, 10.07s/it] 163it [27:41, 10.06s/it] 164it [27:51, 10.06s/it] 165it [28:01, 10.05s/it] 166it [28:11, 10.06s/it] 167it [28:21, 10.04s/it] 168it [28:31, 10.08s/it] 169it [28:41, 10.08s/it] 170it [28:51, 10.06s/it] 171it [29:01, 10.08s/it] 172it [29:11, 10.08s/it] 173it [29:21, 10.06s/it] 174it [29:32, 10.08s/it] 175it [29:42, 10.09s/it] 176it [29:52, 10.10s/it] 177it [30:02, 10.11s/it] 178it [30:12, 10.11s/it] 179it [30:22, 10.09s/it] 180it [30:32, 10.07s/it] 181it [30:42, 10.10s/it] 182it [30:52, 10.09s/it] 183it [31:02, 10.07s/it] 184it [31:12, 10.07s/it] 185it [31:22, 10.04s/it] 186it [31:32, 10.06s/it] 187it [31:42, 10.04s/it] 188it [31:52, 10.02s/it] 189it [32:03, 10.07s/it] 190it [32:13, 10.06s/it] 191it [32:23, 10.04s/it] 192it [32:33, 10.04s/it] 193it [32:43, 10.06s/it] 194it [32:53, 10.09s/it] 195it [33:03, 10.06s/it] 196it [33:13, 10.06s/it] 197it [33:23, 10.06s/it] 198it [33:33, 10.06s/it] 199it [33:43, 10.06s/it] 200it [33:53, 10.09s/it] 201it [34:03, 10.08s/it] 202it [34:13, 10.07s/it] 203it [34:24, 10.07s/it] 204it [34:34, 10.09s/it] 205it [34:44, 10.08s/it] 206it [34:54, 10.06s/it] 207it [35:04, 10.07s/it] 208it [35:14, 10.06s/it] 209it [35:24, 10.07s/it] 210it [35:34, 10.07s/it] 211it [35:44, 10.07s/it] 212it [35:54, 10.07s/it] 213it [36:04, 10.08s/it] 214it [36:14, 10.07s/it] 215it [36:24, 10.09s/it] 216it [36:35, 10.08s/it] 217it [36:45, 10.07s/it] 218it [36:55, 10.06s/it] 219it [37:05, 10.04s/it] 220it [37:15, 10.06s/it] 221it [37:25, 10.05s/it] 222it [37:35, 10.04s/it] 223it [37:45, 10.08s/it] 224it [37:55, 10.07s/it] 225it [38:05, 10.10s/it] 226it [38:15, 10.09s/it] 227it [38:25, 10.07s/it] 228it [38:35, 10.09s/it] 229it [38:45, 10.08s/it] 230it [38:56, 10.09s/it] 231it [39:06, 10.09s/it] 232it [39:16, 10.08s/it] 233it [39:26, 10.09s/it] 234it [39:36, 10.10s/it] 235it [39:46, 10.10s/it] 236it [39:56, 10.11s/it] 237it [40:06, 10.10s/it] 238it [40:16, 10.09s/it] 239it [40:26, 10.08s/it] 240it [40:36, 10.07s/it] 241it [40:47, 10.10s/it] 242it [40:57, 10.08s/it] 243it [41:07, 10.07s/it] 244it [41:17, 10.08s/it] 245it [41:27, 10.08s/it] 246it [41:37, 10.09s/it] 247it [41:47, 10.09s/it] 248it [41:57, 10.09s/it] 249it [42:07, 10.11s/it] 250it [42:17, 10.11s/it] 251it [42:27, 10.09s/it] 252it [42:38, 10.12s/it] 253it [42:48, 10.10s/it] 254it [42:58, 10.09s/it] 255it [43:08, 10.11s/it] 256it [43:18, 10.10s/it] 257it [43:28, 10.09s/it] 258it [43:38, 10.13s/it] 259it [43:48, 10.10s/it] 260it [43:58, 10.10s/it] 261it [44:08, 10.07s/it] 262it [44:18, 10.06s/it] 263it [44:29, 10.08s/it] 264it [44:39, 10.06s/it] 265it [44:49, 10.07s/it] 266it [44:59, 10.09s/it] 267it [45:09, 10.10s/it] 268it [45:19, 10.11s/it] 269it [45:29, 10.09s/it] 270it [45:39, 10.10s/it] 271it [45:49, 10.08s/it] 272it [45:59, 10.07s/it] 273it [46:09, 10.08s/it] 274it [46:19, 10.07s/it] 275it [46:29, 10.06s/it] 276it [46:40, 10.07s/it] 277it [46:50, 10.09s/it] 278it [47:00, 10.09s/it] 279it [47:10, 10.09s/it] 280it [47:20, 10.08s/it] 281it [47:30, 10.09s/it] 282it [47:40, 10.09s/it] 283it [47:50, 10.09s/it] 284it [48:00, 10.09s/it] 285it [48:10, 10.08s/it] 286it [48:21, 10.11s/it] 287it [48:31, 10.10s/it] 288it [48:41, 10.10s/it] 289it [48:51, 10.10s/it] 290it [49:01, 10.10s/it] 291it [49:11, 10.11s/it] 292it [49:21, 10.12s/it] 293it [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