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

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cyc-pep-6-12mer-70M-2024 / train /cyc-pep-6-12mer-70M_00.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/train/cyc-pep-6-12mer-70M_00.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/train/cyc-pep-6-12mer-70M_00.csv
+ gzip --best
+ schemist convert -f csv --column cysteine_to_N_cyclization --to id inchikey scaffold mwt clogp tpsa --prefix cyclic_ --options prefix=SCB-
++ tr ' ' ,
+ awk -F, -v OFS=, '1 { print $8, $1, $2, $10, $3 }'
++ head -n1
++ 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='<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 0x7f967c3a7240>
0it [00:00, ?it/s] 1it [00:11, 11.24s/it] 2it [00:22, 11.12s/it] 3it [00:33, 11.19s/it] 4it [00:44, 11.18s/it] 5it [00:55, 11.15s/it] 6it [01:06, 11.15s/it] 7it [01:18, 11.17s/it] 8it [01:29, 11.19s/it] 9it [01:40, 11.20s/it] 10it [01:51, 11.21s/it] 11it [02:02, 11.19s/it] 12it [02:14, 11.23s/it] 13it [02:25, 11.20s/it] 14it [02:37, 11.36s/it] 15it [02:48, 11.49s/it] 16it [03:00, 11.39s/it] 17it [03:11, 11.39s/it] 18it [03:22, 11.36s/it] 19it [03:34, 11.41s/it] 20it [03:45, 11.32s/it] 21it [03:56, 11.30s/it] 22it [04:07, 11.29s/it] 23it [04:19, 11.27s/it] 24it [04:30, 11.24s/it] 25it [04:41, 11.23s/it] 26it [04:52, 11.25s/it] 27it [05:04, 11.22s/it] 28it [05:15, 11.20s/it] 29it [05:26, 11.21s/it] 30it [05:37, 11.23s/it] 31it [05:49, 11.25s/it] 32it [06:00, 11.24s/it] 33it [06:11, 11.20s/it] 34it [06:22, 11.23s/it] 35it [06:33, 11.21s/it] 36it [06:45, 11.22s/it] 37it [06:56, 11.23s/it] 38it [07:07, 11.23s/it] 39it [07:18, 11.23s/it] 40it [07:29, 11.22s/it] 41it [07:41, 11.24s/it] 42it [07:52, 11.23s/it] 43it [08:03, 11.22s/it] 44it [08:14, 11.23s/it] 45it [08:26, 11.21s/it] 46it [08:37, 11.20s/it] 47it [08:48, 11.17s/it] 48it [08:59, 11.16s/it] 49it [09:10, 11.12s/it] 50it [09:21, 11.11s/it] 51it [09:32, 10.97s/it] 52it [09:42, 10.90s/it] 53it [09:53, 10.87s/it] 54it [10:04, 10.91s/it] 55it [10:15, 10.90s/it] 56it [10:26, 10.90s/it] 57it [10:37, 10.92s/it] 58it [10:48, 10.95s/it] 59it [10:59, 10.93s/it] 60it [11:10, 10.89s/it] 61it [11:21, 10.89s/it] 62it [11:31, 10.87s/it] 63it [11:42, 10.91s/it] 64it [11:53, 10.90s/it] 65it [12:04, 10.90s/it] 66it [12:15, 10.88s/it] 67it [12:26, 10.88s/it] 68it [12:37, 10.89s/it] 69it [12:48, 10.87s/it] 70it [12:59, 10.87s/it] 71it [13:09, 10.85s/it] 72it [13:20, 10.85s/it] 73it [13:31, 10.83s/it] 74it [13:42, 10.83s/it] 75it [13:53, 10.85s/it] 76it [14:04, 10.85s/it] 77it [14:14, 10.83s/it] 78it [14:25, 10.81s/it] 79it [14:36, 10.79s/it] 80it [14:47, 10.77s/it] 81it [14:57, 10.77s/it] 82it [15:08, 10.75s/it] 83it [15:19, 10.75s/it] 84it [15:30, 10.76s/it] 85it [15:40, 10.73s/it] 86it [15:51, 10.73s/it] 87it [16:02, 10.73s/it] 88it [16:12, 10.74s/it] 89it [16:23, 10.74s/it] 90it [16:34, 10.76s/it] 91it [16:45, 10.72s/it] 92it [16:55, 10.72s/it] 93it [17:06, 10.73s/it] 94it [17:17, 10.73s/it] 95it [17:27, 10.69s/it] 96it [17:38, 10.69s/it] 97it [17:49, 10.66s/it] 98it [17:59, 10.67s/it] 99it [18:10, 10.66s/it] 100it [18:21, 10.68s/it] 101it [18:31, 10.69s/it] 102it [18:42, 10.67s/it] 103it [18:53, 10.68s/it] 104it [19:04, 10.70s/it] 105it [19:14, 10.70s/it] 106it [19:25, 10.70s/it] 107it [19:36, 10.71s/it] 108it [19:46, 10.70s/it] 109it [19:57, 10.69s/it] 110it [20:08, 10.70s/it] 111it [20:18, 10.70s/it] 112it [20:29, 10.71s/it] 113it [20:40, 10.70s/it] 114it [20:51, 10.71s/it] 115it [21:01, 10.73s/it] 116it [21:12, 10.72s/it] 117it [21:23, 10.74s/it] 118it [21:34, 10.74s/it] 119it [21:44, 10.74s/it] 120it [21:55, 10.72s/it] 121it [22:06, 10.72s/it] 122it [22:16, 10.70s/it] 123it [22:27, 10.73s/it] 124it [22:38, 10.72s/it] 125it [22:49, 10.70s/it] 126it [22:59, 10.71s/it] 127it [23:10, 10.69s/it] 128it [23:21, 10.71s/it] 129it [23:31, 10.72s/it] 130it [23:42, 10.71s/it] 131it [23:53, 10.72s/it] 132it [24:03, 10.71s/it] 133it [24:14, 10.71s/it] 134it [24:25, 10.71s/it] 135it [24:36, 10.72s/it] 136it [24:46, 10.75s/it] 137it [24:57, 10.77s/it] 138it [25:08, 10.75s/it] 139it [25:19, 10.72s/it] 140it [25:29, 10.70s/it] 141it [25:40, 10.72s/it] 142it [25:51, 10.73s/it] 143it [26:02, 10.71s/it] 144it [26:12, 10.71s/it] 145it [26:23, 10.70s/it] 146it [26:34, 10.71s/it] 147it [26:44, 10.73s/it] 148it [26:55, 10.74s/it] 149it [27:06, 10.72s/it] 150it [27:17, 10.72s/it] 151it [27:27, 10.72s/it] 152it [27:38, 10.69s/it] 153it [27:49, 10.71s/it] 154it [27:59, 10.73s/it] 155it [28:10, 10.71s/it] 156it [28:21, 10.70s/it] 157it [28:31, 10.70s/it] 158it [28:42, 10.70s/it] 159it [28:53, 10.73s/it] 160it [29:04, 10.74s/it] 161it [29:14, 10.73s/it] 162it [29:25, 10.71s/it] 163it [29:36, 10.71s/it] 164it [29:46, 10.68s/it] 165it [29:57, 10.71s/it] 166it [30:08, 10.72s/it] 167it [30:19, 10.72s/it] 168it [30:29, 10.69s/it] 169it [30:40, 10.70s/it] 170it [30:51, 10.70s/it] 171it [31:01, 10.72s/it] 172it [31:12, 10.73s/it] 173it [31:23, 10.72s/it] 174it [31:34, 10.71s/it] 175it [31:44, 10.72s/it] 176it [31:55, 10.71s/it] 177it [32:06, 10.79s/it] 178it [32:17, 10.78s/it] 179it [32:28, 10.77s/it] 180it [32:38, 10.75s/it] 181it [32:49, 10.76s/it] 182it [33:00, 10.75s/it] 183it [33:10, 10.74s/it] 184it [33:21, 10.74s/it] 185it [33:32, 10.72s/it] 186it [33:43, 10.72s/it] 187it [33:53, 10.71s/it] 188it [34:04, 10.73s/it] 189it [34:15, 10.72s/it] 190it [34:26, 10.74s/it] 191it [34:36, 10.74s/it] 192it [34:47, 10.73s/it] 193it [34:58, 10.75s/it] 194it [35:08, 10.74s/it] 195it [35:19, 10.73s/it] 196it [35:30, 10.73s/it] 197it [35:41, 10.73s/it] 198it [35:51, 10.74s/it] 199it [36:02, 10.74s/it] 200it [36:13, 10.73s/it] 201it [36:24, 10.73s/it] 202it [36:34, 10.73s/it] 203it [36:45, 10.73s/it] 204it [36:56, 10.71s/it] 205it [37:06, 10.72s/it] 206it [37:17, 10.72s/it] 207it [37:28, 10.74s/it] 208it [37:39, 10.76s/it] 209it [37:49, 10.74s/it] 210it [38:00, 10.70s/it] 211it [38:11, 10.70s/it] 212it [38:21, 10.69s/it] 213it [38:32, 10.70s/it] 214it [38:43, 10.70s/it] 215it [38:54, 10.70s/it] 216it [39:04, 10.69s/it] 217it [39:15, 10.70s/it] 218it [39:26, 10.72s/it] 219it [39:36, 10.72s/it] 220it [39:47, 10.73s/it] 221it [39:58, 10.73s/it] 222it [40:09, 10.73s/it] 223it [40:19, 10.70s/it] 224it [40:30, 10.70s/it] 225it [40:41, 10.70s/it] 226it [40:51, 10.72s/it] 227it [41:02, 10.70s/it] 228it [41:13, 10.69s/it] 229it [41:23, 10.68s/it] 230it [41:34, 10.69s/it] 231it [41:45, 10.70s/it] 232it [41:56, 10.73s/it] 233it [42:06, 10.73s/it] 234it [42:17, 10.73s/it] 235it [42:28, 10.73s/it] 236it [42:39, 10.74s/it] 237it [42:49, 10.73s/it] 238it [43:00, 10.74s/it] 239it [43:11, 10.74s/it] 240it [43:22, 10.74s/it] 241it [43:32, 10.73s/it] 242it [43:43, 10.69s/it] 243it [43:54, 10.68s/it] 244it [44:04, 10.69s/it] 245it [44:15, 10.71s/it] 246it [44:26, 10.71s/it] 247it [44:36, 10.70s/it] 248it [44:47, 10.68s/it] 249it [44:58, 10.70s/it] 250it [45:08, 10.70s/it] 251it [45:19, 10.69s/it] 252it [45:30, 10.71s/it] 253it [45:41, 10.72s/it] 254it [45:51, 10.71s/it] 255it [46:02, 10.72s/it] 256it [46:13, 10.72s/it] 257it [46:24, 10.73s/it] 258it [46:34, 10.69s/it] 259it [46:45, 10.70s/it] 260it [46:56, 10.69s/it] 261it [47:06, 10.69s/it] 262it [47:17, 10.69s/it] 263it [47:28, 10.68s/it] 264it [47:38, 10.70s/it] 265it [47:49, 10.70s/it] 266it [48:00, 10.71s/it] 267it [48:10, 10.73s/it] 268it [48:21, 10.72s/it] 269it [48:32, 10.72s/it] 270it [48:43, 10.72s/it] 271it [48:53, 10.74s/it] 272it [49:04, 10.74s/it] 273it [49:15, 10.73s/it] 274it [49:26, 10.74s/it] 275it [49:36, 10.76s/it] 276it [49:47, 10.72s/it] 277it [49:58, 10.74s/it] 278it [50:08, 10.71s/it] 279it [50:19, 10.72s/it] 280it [50:30, 10.73s/it] 281it [50:41, 10.72s/it] 282it [50:51, 10.73s/it] 283it [51:02, 10.74s/it] 284it [51:13, 10.73s/it] 285it [51:24, 10.71s/it] 286it [51:34, 10.76s/it] 287it [51:45, 10.77s/it] 288it [51:56, 10.76s/it] 289it [52:07, 10.76s/it] 290it [52:18, 10.77s/it] 291it [52:28, 10.77s/it] 292it [52:39, 10.75s/it] 293it [52:50, 10.74s/it] 294it [53:00, 10.73s/it] 295it [53:11, 10.75s/it] 296it [53:22, 10.72s/it] 297it [53:33, 10.73s/it] 298it [53:43, 10.74s/it] 299it [53:54, 10.75s/it] 300it [54:05, 10.76s/it] 301it [54:16, 10.78s/it] 302it [54:27, 10.77s/it] 303it [54:37, 10.77s/it] 304it [54:48, 10.75s/it] 305it [54:59, 10.75s/it] 306it [55:09, 10.75s/it] 307it [55:20, 10.74s/it] 308it [55:31, 10.74s/it] 309it [55:42, 10.75s/it] 310it [55:52, 10.73s/it] 311it [56:03, 10.74s/it] 312it [56:14, 10.77s/it] 313it [56:25, 10.78s/it] 314it [56:36, 10.79s/it] 315it [56:46, 10.78s/it] 316it [56:57, 10.75s/it] 317it [57:08, 10.75s/it] 318it [57:19, 10.76s/it] 319it [57:29, 10.76s/it] 320it [57:40, 10.79s/it] 321it [57:51, 10.75s/it] 322it [58:02, 10.77s/it] 323it [58:12, 10.78s/it] 324it [58:23, 10.76s/it] 325it [58:34, 10.75s/it] 326it [58:45, 10.75s/it] 327it [58:55, 10.76s/it] 328it [59:06, 10.78s/it] 329it [59:17, 10.78s/it] 330it [59:28, 10.75s/it] 331it [59:38, 10.72s/it] 332it [59:49, 10.70s/it] 333it [1:00:00, 10.69s/it] 334it [1:00:10, 10.68s/it] 335it [1:00:21, 10.69s/it] 336it [1:00:32, 10.71s/it] 337it [1:00:43, 10.71s/it] 338it [1:00:53, 10.70s/it] 339it [1:01:04, 10.71s/it] 340it [1:01:15, 10.69s/it] 341it [1:01:25, 10.68s/it] 342it [1:01:36, 10.71s/it] 343it [1:01:47, 10.74s/it] 344it [1:01:58, 10.72s/it] 345it [1:02:08, 10.73s/it] 346it [1:02:19, 10.74s/it] 347it [1:02:30, 10.73s/it] 348it [1:02:40, 10.72s/it] 349it [1:02:51, 10.73s/it] 350it [1:03:02, 10.76s/it] 351it [1:03:13, 10.75s/it] 352it [1:03:24, 10.75s/it] 353it [1:03:34, 10.76s/it] 354it [1:03:45, 10.74s/it] 355it [1:03:56, 10.74s/it] 356it [1:04:07, 10.75s/it] 357it [1:04:17, 10.75s/it] 358it [1:04:28, 10.72s/it] 359it [1:04:39, 10.69s/it] 360it [1:04:49, 10.68s/it] 361it [1:05:00, 10.70s/it] 362it [1:05:11, 10.70s/it] 363it [1:05:21, 10.68s/it] 364it [1:05:32, 10.70s/it] 365it [1:05:43, 10.70s/it] 366it [1:05:53, 10.72s/it] 367it [1:06:04, 10.72s/it] 368it [1:06:15, 10.73s/it] 369it [1:06:26, 10.74s/it] 370it [1:06:36, 10.73s/it] 371it [1:06:47, 10.73s/it] 372it [1:06:58, 10.73s/it] 373it [1:07:09, 10.73s/it] 374it [1:07:19, 10.72s/it] 375it [1:07:30, 10.73s/it] 376it [1:07:41, 10.72s/it] 377it [1:07:51, 10.71s/it] 378it [1:08:02, 10.72s/it] 379it [1:08:13, 10.73s/it] 380it [1:08:24, 10.73s/it] 381it [1:08:34, 10.72s/it] 382it [1:08:45, 10.73s/it] 383it [1:08:56, 10.74s/it] 384it [1:09:07, 10.74s/it] 385it [1:09:17, 10.75s/it] 386it [1:09:28, 10.74s/it] 387it [1:09:39, 10.76s/it] 388it [1:09:50, 10.77s/it] 389it [1:10:01, 10.77s/it] 390it [1:10:11, 10.78s/it] 391it [1:10:22, 10.75s/it] 392it [1:10:33, 10.73s/it] 393it [1:10:43, 10.73s/it] 394it [1:10:54, 10.73s/it] 395it [1:11:05, 10.72s/it] 396it [1:11:15, 10.70s/it] 397it [1:11:26, 10.73s/it] 398it [1:11:37, 10.75s/it] 399it [1:11:48, 10.76s/it] 400it [1:11:59, 10.76s/it] 401it [1:12:09, 10.74s/it] 402it [1:12:20, 10.74s/it] 403it [1:12:31, 10.73s/it] 404it [1:12:42, 10.75s/it] 405it [1:12:52, 10.76s/it] 406it [1:13:03, 10.75s/it] 407it [1:13:14, 10.75s/it] 408it [1:13:25, 10.76s/it] 409it [1:13:35, 10.76s/it] 410it [1:13:46, 10.76s/it] 411it [1:13:57, 10.77s/it] 412it [1:14:08, 10.77s/it] 413it [1:14:18, 10.77s/it] 414it [1:14:29, 10.78s/it] 415it [1:14:40, 10.78s/it] 416it [1:14:51, 10.77s/it] 417it [1:15:02, 10.79s/it] 418it [1:15:12, 10.77s/it] 419it [1:15:23, 10.74s/it] 420it [1:15:34, 10.74s/it] 421it [1:15:45, 10.75s/it] 422it [1:15:55, 10.74s/it] 423it [1:16:06, 10.73s/it] 424it [1:16:17, 10.74s/it] 425it [1:16:27, 10.73s/it] 426it [1:16:38, 10.71s/it] 427it [1:16:49, 10.70s/it] 428it [1:16:59, 10.71s/it] 429it [1:17:10, 10.71s/it] 430it [1:17:21, 10.72s/it] 431it [1:17:32, 10.73s/it] 432it [1:17:42, 10.73s/it] 433it [1:17:53, 10.72s/it] 434it [1:18:04, 10.71s/it] 435it [1:18:15, 10.74s/it] 436it [1:18:25, 10.76s/it] 437it [1:18:36, 10.78s/it] 438it [1:18:47, 10.77s/it] 439it [1:18:58, 10.78s/it] 440it [1:19:09, 10.80s/it] 441it [1:19:19, 10.79s/it] 442it [1:19:30, 10.76s/it] 443it [1:19:41, 10.76s/it] 444it [1:19:52, 10.76s/it] 445it [1:20:02, 10.77s/it] 446it [1:20:13, 10.79s/it] 447it [1:20:24, 10.80s/it] 448it [1:20:35, 10.78s/it] 449it [1:20:46, 10.79s/it] 450it [1:20:56, 10.77s/it] 451it [1:21:07, 10.79s/it] 452it [1:21:18, 10.80s/it] 453it [1:21:29, 10.78s/it] 454it [1:21:39, 10.77s/it] 455it [1:21:50, 10.77s/it] 456it [1:22:01, 10.76s/it] 457it [1:22:12, 10.74s/it] 458it [1:22:23, 10.78s/it] 459it [1:22:33, 10.77s/it] 460it [1:22:44, 10.74s/it] 461it [1:22:55, 10.75s/it] 462it [1:23:06, 10.76s/it] 463it [1:23:16, 10.77s/it] 464it [1:23:27, 10.78s/it] 465it [1:23:38, 10.78s/it] 466it [1:23:49, 10.77s/it] 467it [1:23:59, 10.76s/it] 468it [1:24:10, 10.75s/it] 469it [1:24:21, 10.76s/it] 470it [1:24:32, 10.77s/it] 471it [1:24:43, 10.78s/it] 472it [1:24:53, 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10.67s/it] 954it [2:51:23, 10.67s/it] 955it [2:51:33, 10.70s/it] 956it [2:51:44, 10.70s/it] 957it [2:51:55, 10.71s/it] 958it [2:52:06, 10.71s/it] 959it [2:52:16, 10.73s/it] 960it [2:52:27, 10.72s/it] 961it [2:52:38, 10.71s/it] 962it [2:52:48, 10.69s/it] 963it [2:52:59, 10.72s/it] 964it [2:53:10, 10.73s/it] 965it [2:53:21, 10.73s/it] 966it [2:53:31, 10.74s/it] 967it [2:53:42, 10.72s/it] 968it [2:53:53, 10.70s/it] 969it [2:54:04, 10.72s/it] 970it [2:54:14, 10.73s/it] 971it [2:54:25, 10.72s/it] 972it [2:54:36, 10.72s/it] 973it [2:54:46, 10.70s/it] 974it [2:54:57, 10.70s/it] 975it [2:55:08, 10.69s/it] 976it [2:55:18, 10.70s/it] 977it [2:55:29, 10.69s/it] 978it [2:55:40, 10.66s/it] 979it [2:55:50, 10.68s/it] 980it [2:56:01, 10.67s/it] 981it [2:56:12, 10.68s/it] 982it [2:56:22, 10.68s/it] 983it [2:56:33, 10.68s/it] 984it [2:56:44, 10.69s/it] 985it [2:56:55, 10.70s/it] 986it [2:57:05, 10.69s/it] 987it [2:57:16, 10.68s/it] 988it [2:57:27, 10.68s/it] 989it [2:57:37, 10.70s/it] 990it [2:57:48, 10.69s/it] 991it [2:57:59, 10.71s/it] 992it [2:58:10, 10.72s/it] 993it [2:58:20, 10.71s/it] 994it [2:58:31, 10.71s/it] 995it [2:58:42, 10.72s/it] 996it [2:58:52, 10.70s/it] 997it [2:59:03, 10.69s/it] 998it [2:59:14, 10.70s/it] 999it [2:59:24, 10.69s/it] 1000it [2:59:35, 10.70s/it] 1000it [2:59:35, 10.78s/it]
Error counts:
cyclic_id: 0
cyclic_inchikey: 0
cyclic_scaffold: 0
cyclic_mwt: 0
cyclic_clogp: 0
cyclic_tpsa: 0
⏰ Completed process in 2:59:58.795561
+ rm /nemo/lab/johnsone/home/users/johnsoe/data/datasets/cyc-pep-6-12mer-70M-2024/train/cyc-pep-6-12mer-70M_00.csv