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Datasets:
scbirlab
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cyc-pep-6-12mer-70M-2024

Tasks:
Fill-Mask
Text Classification
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Modalities:
Tabular
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Formats:
csv
Size:
100M - 1B
Tags:
chemistry
biology
Synthetic
SMILES
Libraries:
Datasets
Dask
License:
Dataset card Data Studio Files Community
3
cyc-pep-6-12mer-70M-2024 / test /cyc-pep-6-12mer-70M_10.log
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eachanjohnson
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/test/cyc-pep-6-12mer-70M_10.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/test/cyc-pep-6-12mer-70M_10.csv
++ head -n1
+ schemist convert -f csv --column cysteine_to_N_cyclization --to id inchikey scaffold mwt clogp tpsa --prefix cyclic_ --options prefix=SCB-
++ tr ' ' ,
+ gzip --best
++ zcat /nemo/lab/johnsone/home/users/johnsoe/data/datasets/rapid_6-12b/240425_rapid_6-12.tsv.gz
+ awk -F, -v OFS=, '1 { print $8, $1, $2, $10, $3 }'
🚀 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 0x7f9537463240>
0it [00:00, ?it/s] 1it [00:10, 10.21s/it] 2it [00:20, 10.13s/it] 3it [00:30, 10.10s/it] 4it [00:40, 10.11s/it] 5it [00:50, 10.10s/it] 6it [01:00, 10.10s/it] 7it [01:10, 10.09s/it] 8it [01:20, 10.08s/it] 9it [01:30, 10.08s/it] 10it [01:40, 10.07s/it] 11it [01:51, 10.09s/it] 12it [02:01, 10.06s/it] 13it [02:11, 10.06s/it] 14it [02:21, 10.05s/it] 15it [02:31, 10.04s/it] 16it [02:41, 9.99s/it] 17it [02:50, 9.95s/it] 18it [03:00, 9.98s/it] 19it [03:10, 9.98s/it] 20it [03:20, 9.99s/it] 21it [03:30, 10.01s/it] 22it [03:41, 10.03s/it] 23it [03:51, 10.03s/it] 24it [04:01, 10.01s/it] 25it [04:11, 10.02s/it] 26it [04:21, 10.02s/it] 27it [04:31, 10.01s/it] 28it [04:41, 10.01s/it] 29it [04:51, 9.98s/it] 30it [05:00, 9.97s/it] 31it [05:10, 9.98s/it] 32it [05:20, 9.95s/it] 33it [05:30, 9.92s/it] 34it [05:40, 9.91s/it] 35it [05:50, 9.91s/it] 36it [06:00, 9.92s/it] 37it [06:10, 9.92s/it] 38it [06:20, 9.92s/it] 39it [06:30, 9.90s/it] 40it [06:40, 9.91s/it] 41it [06:49, 9.89s/it] 42it [06:59, 9.90s/it] 43it [07:09, 9.88s/it] 44it [07:19, 9.88s/it] 45it [07:29, 9.90s/it] 46it [07:39, 9.91s/it] 47it [07:49, 9.90s/it] 48it [07:59, 9.94s/it] 49it [08:09, 9.95s/it] 50it [08:19, 10.00s/it] 51it [08:29, 10.00s/it] 52it [08:39, 10.06s/it] 53it [08:49, 10.08s/it] 54it [08:59, 10.10s/it] 55it [09:10, 10.11s/it] 56it [09:20, 10.10s/it] 57it [09:30, 10.11s/it] 58it [09:40, 10.11s/it] 59it [09:50, 10.10s/it] 60it [10:00, 10.11s/it] 61it [10:10, 10.10s/it] 62it [10:20, 10.12s/it] 63it [10:30, 10.12s/it] 64it [10:41, 10.12s/it] 65it [10:51, 10.09s/it] 66it [11:01, 10.11s/it] 67it [11:11, 10.12s/it] 68it [11:21, 10.13s/it] 69it [11:31, 10.11s/it] 70it [11:41, 10.11s/it] 71it [11:51, 10.10s/it] 72it [12:01, 10.10s/it] 73it [12:11, 10.05s/it] 74it [12:21, 10.06s/it] 75it [12:31, 10.05s/it] 76it [12:41, 10.06s/it] 77it [12:52, 10.07s/it] 78it [13:02, 10.08s/it] 79it [13:12, 10.09s/it] 80it [13:22, 10.12s/it] 81it [13:32, 10.12s/it] 82it [13:42, 10.12s/it] 83it [13:52, 10.13s/it] 84it [14:02, 10.12s/it] 85it [14:13, 10.14s/it] 86it [14:23, 10.13s/it] 87it [14:33, 10.15s/it] 88it [14:43, 10.15s/it] 89it [14:53, 10.15s/it] 90it [15:03, 10.14s/it] 91it [15:14, 10.14s/it] 92it [15:24, 10.15s/it] 93it [15:34, 10.16s/it] 94it [15:44, 10.15s/it] 95it [15:54, 10.15s/it] 96it [16:04, 10.13s/it] 97it [16:14, 10.14s/it] 98it [16:24, 10.11s/it] 99it [16:35, 10.12s/it] 100it [16:45, 10.09s/it] 101it [16:55, 10.09s/it] 102it [17:05, 10.12s/it] 103it [17:15, 10.15s/it] 104it [17:25, 10.19s/it] 105it [17:36, 10.21s/it] 106it [17:46, 10.19s/it] 107it [17:56, 10.16s/it] 108it [18:06, 10.16s/it] 109it [18:16, 10.16s/it] 110it [18:26, 10.15s/it] 111it [18:37, 10.18s/it] 112it [18:47, 10.18s/it] 113it [18:57, 10.19s/it] 114it [19:07, 10.20s/it] 115it [19:17, 10.21s/it] 116it [19:28, 10.22s/it] 117it [19:38, 10.16s/it] 118it [19:48, 10.14s/it] 119it [19:58, 10.13s/it] 120it [20:08, 10.10s/it] 121it [20:18, 10.09s/it] 122it [20:28, 10.07s/it] 123it [20:38, 10.08s/it] 124it [20:48, 10.07s/it] 125it [20:58, 10.07s/it] 126it [21:08, 10.06s/it] 127it [21:18, 10.06s/it] 128it [21:28, 10.04s/it] 129it [21:38, 10.05s/it] 130it [21:48, 10.03s/it] 131it [21:58, 10.03s/it] 132it [22:08, 10.01s/it] 133it [22:18, 10.02s/it] 134it [22:28, 10.02s/it] 135it [22:38, 10.02s/it] 136it [22:48, 10.01s/it] 137it [22:58, 10.02s/it] 138it [23:08, 10.01s/it] 139it [23:18, 10.02s/it] 140it [23:29, 10.03s/it] 141it [23:38, 10.02s/it] 142it [23:49, 10.03s/it] 143it [23:59, 10.03s/it] 144it [24:09, 10.03s/it] 145it [24:19, 10.03s/it] 146it [24:29, 10.04s/it] 147it [24:39, 10.02s/it] 148it [24:49, 10.04s/it] 149it [24:59, 10.02s/it] 150it [25:09, 10.03s/it] 151it [25:19, 10.01s/it] 152it [25:29, 10.00s/it] 153it [25:39, 10.00s/it] 154it [25:49, 10.03s/it] 155it [25:59, 10.03s/it] 156it [26:09, 10.02s/it] 157it [26:19, 10.01s/it] 158it [26:29, 10.02s/it] 159it [26:39, 10.01s/it] 160it [26:49, 10.02s/it] 161it [26:59, 10.00s/it] 162it [27:09, 10.01s/it] 163it [27:19, 10.02s/it] 164it [27:29, 10.02s/it] 165it [27:39, 10.04s/it] 166it [27:49, 10.08s/it] 167it [27:59, 10.07s/it] 168it [28:09, 10.07s/it] 169it [28:19, 10.07s/it] 170it [28:30, 10.08s/it] 171it [28:40, 10.07s/it] 172it [28:50, 10.05s/it] 173it [29:00, 10.04s/it] 174it [29:10, 10.00s/it] 175it [29:19, 9.97s/it] 176it [29:29, 9.97s/it] 177it [29:39, 9.98s/it] 178it [29:49, 9.99s/it] 179it [29:59, 10.01s/it] 180it [30:09, 10.00s/it] 181it [30:19, 10.00s/it] 182it [30:29, 10.00s/it] 183it [30:39, 9.98s/it] 184it [30:49, 9.99s/it] 185it [30:59, 9.99s/it] 186it [31:09, 9.98s/it] 187it [31:19, 9.97s/it] 188it [31:29, 9.97s/it] 189it [31:39, 9.97s/it] 190it [31:49, 9.98s/it] 191it [31:59, 9.98s/it] 192it [32:09, 9.98s/it] 193it [32:19, 9.98s/it] 194it [32:29, 9.97s/it] 195it [32:39, 9.99s/it] 196it [32:49, 10.00s/it] 197it [32:59, 10.01s/it] 198it [33:09, 10.02s/it] 199it [33:19, 10.02s/it] 200it [33:29, 10.01s/it] 201it [33:39, 10.00s/it] 202it [33:49, 10.01s/it] 203it [33:59, 10.01s/it] 204it [34:09, 10.02s/it] 205it [34:19, 10.02s/it] 206it [34:29, 10.03s/it] 207it [34:39, 10.02s/it] 208it [34:49, 10.02s/it] 209it [34:59, 10.02s/it] 210it [35:09, 10.01s/it] 211it [35:19, 10.02s/it] 212it [35:29, 10.02s/it] 213it [35:40, 10.02s/it] 214it [35:50, 10.04s/it] 215it [36:00, 10.02s/it] 216it [36:09, 9.98s/it] 217it [36:19, 9.97s/it] 218it [36:29, 9.96s/it] 219it [36:39, 9.99s/it] 220it [36:49, 9.98s/it] 221it [36:59, 9.99s/it] 222it [37:09, 9.95s/it] 223it [37:19, 9.92s/it] 224it [37:29, 9.91s/it] 225it [37:39, 9.93s/it] 226it [37:49, 9.94s/it] 227it [37:59, 9.95s/it] 228it [38:09, 9.96s/it] 229it [38:19, 9.94s/it] 230it [38:29, 9.94s/it] 231it [38:39, 9.93s/it] 232it [38:48, 9.92s/it] 233it [38:58, 9.93s/it] 234it [39:08, 9.94s/it] 235it [39:18, 9.92s/it] 236it [39:28, 9.90s/it] 237it [39:38, 9.89s/it] 238it [39:48, 9.91s/it] 239it [39:58, 9.95s/it] 240it [40:08, 9.95s/it] 241it [40:18, 9.95s/it] 242it [40:28, 9.96s/it] 243it [40:38, 9.96s/it] 244it [40:48, 9.95s/it] 245it [40:58, 9.97s/it] 246it [41:08, 9.99s/it] 247it [41:18, 9.96s/it] 248it [41:28, 9.96s/it] 249it [41:38, 9.97s/it] 250it [41:48, 9.96s/it] 251it [41:57, 9.93s/it] 252it [42:07, 9.93s/it] 253it [42:17, 9.95s/it] 254it [42:27, 9.95s/it] 255it [42:37, 9.92s/it] 256it [42:47, 9.94s/it] 257it [42:57, 9.95s/it] 258it [43:07, 9.94s/it] 259it [43:17, 9.96s/it] 260it [43:27, 9.93s/it] 261it [43:37, 9.91s/it] 262it [43:47, 9.92s/it] 263it [43:57, 9.94s/it] 264it [44:07, 9.93s/it] 265it [44:17, 9.94s/it] 266it [44:27, 9.95s/it] 267it [44:37, 9.96s/it] 268it [44:46, 9.96s/it] 269it [44:56, 9.97s/it] 270it [45:06, 9.96s/it] 271it [45:16, 9.95s/it] 272it [45:26, 9.96s/it] 273it [45:36, 9.94s/it] 274it [45:46, 9.94s/it] 275it [45:56, 9.91s/it] 276it [46:06, 9.92s/it] 277it [46:16, 9.93s/it] 278it [46:26, 9.94s/it] 279it [46:36, 9.93s/it] 280it [46:46, 9.92s/it] 281it [46:56, 9.91s/it] 282it [47:06, 9.93s/it] 283it [47:15, 9.91s/it] 284it [47:25, 9.92s/it] 285it [47:35, 9.93s/it] 286it [47:45, 9.93s/it] 287it [47:55, 9.93s/it] 288it [48:05, 9.93s/it] 289it [48:15, 9.91s/it] 290it [48:25, 9.91s/it] 291it [48:35, 9.91s/it] 292it [48:45, 9.92s/it] 293it [48:55, 9.93s/it] 294it [49:05, 9.93s/it] 295it [49:15, 9.95s/it] 296it [49:25, 9.96s/it] 297it [49:35, 9.96s/it] 298it [49:44, 9.94s/it] 299it [49:54, 9.93s/it] 300it [50:04, 9.92s/it] 301it [50:14, 9.92s/it] 302it [50:24, 9.94s/it] 303it [50:34, 9.92s/it] 304it [50:44, 9.92s/it] 305it [50:54, 9.92s/it] 306it [51:04, 9.91s/it] 307it [51:14, 9.93s/it] 308it [51:24, 9.91s/it] 309it [51:34, 9.92s/it] 310it [51:43, 9.90s/it] 311it [51:53, 9.91s/it] 312it [52:03, 9.90s/it] 313it [52:13, 9.91s/it] 314it [52:23, 9.92s/it] 315it [52:33, 9.92s/it] 316it [52:43, 9.92s/it] 317it [52:53, 9.92s/it] 318it [53:03, 9.93s/it] 319it [53:13, 9.93s/it] 320it [53:23, 9.94s/it] 321it [53:33, 9.93s/it] 322it [53:43, 9.93s/it] 323it [53:52, 9.92s/it] 324it [54:02, 9.93s/it] 325it [54:12, 9.92s/it] 326it [54:22, 9.92s/it] 327it [54:32, 9.92s/it] 328it [54:42, 9.92s/it] 329it [54:52, 9.93s/it] 330it [55:02, 9.94s/it] 331it [55:12, 9.93s/it] 332it [55:22, 9.96s/it] 333it [55:32, 9.96s/it] 334it [55:42, 9.94s/it] 335it [55:52, 9.94s/it] 336it [56:02, 9.95s/it] 337it [56:12, 9.94s/it] 338it [56:22, 9.95s/it] 339it [56:31, 9.94s/it] 340it [56:41, 9.94s/it] 341it [56:51, 9.94s/it] 342it [57:01, 9.92s/it] 343it [57:11, 9.94s/it] 344it [57:21, 9.95s/it] 345it [57:31, 9.95s/it] 346it [57:41, 9.96s/it] 347it [57:51, 9.96s/it] 348it [58:01, 9.96s/it] 349it [58:11, 9.96s/it] 350it [58:21, 9.94s/it] 351it [58:31, 9.93s/it] 352it [58:41, 9.94s/it] 353it [58:51, 9.93s/it] 354it [59:01, 9.92s/it] 355it [59:10, 9.91s/it] 356it [59:20, 9.92s/it] 357it [59:30, 9.90s/it] 358it [59:40, 9.90s/it] 359it [59:50, 9.92s/it] 360it [1:00:00, 9.92s/it] 361it [1:00:10, 9.94s/it] 362it [1:00:20, 9.91s/it] 363it [1:00:30, 9.91s/it] 364it [1:00:40, 9.92s/it] 365it [1:00:50, 9.93s/it] 366it [1:01:00, 9.93s/it] 367it [1:01:10, 9.93s/it] 368it [1:01:19, 9.93s/it] 369it [1:01:29, 9.94s/it] 370it [1:01:39, 9.94s/it] 371it [1:01:49, 9.94s/it] 372it [1:01:59, 9.94s/it] 373it [1:02:09, 9.91s/it] 374it [1:02:19, 9.93s/it] 375it [1:02:29, 9.93s/it] 376it [1:02:39, 9.92s/it] 377it [1:02:49, 9.94s/it] 378it [1:02:59, 9.95s/it] 379it [1:03:09, 9.95s/it] 380it [1:03:19, 9.96s/it] 381it [1:03:29, 9.97s/it] 382it [1:03:39, 9.97s/it] 383it [1:03:49, 9.96s/it] 384it [1:03:59, 9.96s/it] 385it [1:04:09, 9.94s/it] 386it [1:04:18, 9.93s/it] 387it [1:04:28, 9.91s/it] 388it [1:04:38, 9.90s/it] 389it [1:04:48, 9.91s/it] 390it [1:04:58, 9.93s/it] 391it [1:05:08, 9.93s/it] 392it [1:05:18, 9.93s/it] 393it [1:05:28, 9.91s/it] 394it [1:05:38, 9.88s/it] 395it [1:05:47, 9.85s/it] 396it [1:05:57, 9.81s/it] 397it [1:06:07, 9.80s/it] 398it [1:06:17, 9.79s/it] 399it [1:06:26, 9.79s/it] 400it [1:06:36, 9.81s/it] 401it [1:06:46, 9.81s/it] 402it [1:06:56, 9.78s/it] 403it [1:07:06, 9.81s/it] 404it [1:07:16, 9.83s/it] 405it [1:07:25, 9.85s/it] 406it [1:07:35, 9.87s/it] 407it [1:07:45, 9.88s/it] 408it [1:07:55, 9.89s/it] 409it [1:08:05, 9.89s/it] 410it [1:08:15, 9.87s/it] 411it [1:08:25, 9.85s/it] 412it [1:08:35, 9.85s/it] 413it [1:08:44, 9.87s/it] 414it [1:08:54, 9.85s/it] 415it [1:09:04, 9.84s/it] 416it [1:09:14, 9.83s/it] 417it [1:09:24, 9.85s/it] 418it [1:09:34, 9.86s/it] 419it [1:09:44, 9.85s/it] 420it [1:09:53, 9.83s/it] 421it [1:10:03, 9.83s/it] 422it [1:10:13, 9.84s/it] 423it [1:10:23, 9.83s/it] 424it [1:10:33, 9.81s/it] 425it [1:10:42, 9.82s/it] 426it [1:10:52, 9.83s/it] 427it [1:11:02, 9.83s/it] 428it [1:11:12, 9.83s/it] 429it [1:11:22, 9.82s/it] 430it [1:11:32, 9.82s/it] 431it [1:11:41, 9.81s/it] 432it [1:11:51, 9.82s/it] 433it [1:12:01, 9.81s/it] 434it [1:12:11, 9.80s/it] 435it [1:12:21, 9.79s/it] 436it [1:12:30, 9.84s/it] 437it [1:12:40, 9.82s/it] 438it [1:12:50, 9.81s/it] 439it [1:13:00, 9.81s/it] 440it [1:13:10, 9.82s/it] 441it [1:13:20, 9.85s/it] 442it [1:13:29, 9.84s/it] 443it [1:13:39, 9.84s/it] 444it [1:13:49, 9.85s/it] 445it [1:13:59, 9.85s/it] 446it [1:14:09, 9.86s/it] 447it [1:14:19, 9.85s/it] 448it [1:14:29, 9.85s/it] 449it [1:14:38, 9.84s/it] 450it [1:14:48, 9.85s/it] 451it [1:14:58, 9.85s/it] 452it [1:15:08, 9.85s/it] 453it [1:15:18, 9.85s/it] 454it [1:15:28, 9.84s/it] 455it [1:15:37, 9.84s/it] 456it [1:15:47, 9.82s/it] 457it [1:15:57, 9.81s/it] 458it [1:16:07, 9.82s/it] 459it [1:16:17, 9.82s/it] 460it [1:16:26, 9.81s/it] 461it [1:16:36, 9.81s/it] 462it [1:16:46, 9.81s/it] 463it [1:16:56, 9.78s/it] 464it [1:17:06, 9.78s/it] 465it [1:17:15, 9.78s/it] 466it [1:17:25, 9.77s/it] 467it [1:17:35, 9.75s/it] 468it [1:17:44, 9.73s/it] 469it [1:17:54, 9.75s/it] 470it [1:18:04, 9.76s/it] 471it [1:18:14, 9.77s/it] 472it [1:18:24, 9.76s/it] 473it [1:18:33, 9.75s/it] 474it [1:18:43, 9.74s/it] 475it [1:18:53, 9.74s/it] 476it [1:19:03, 9.74s/it] 477it [1:19:12, 9.76s/it] 478it [1:19:22, 9.74s/it] 479it [1:19:32, 9.72s/it] 480it [1:19:41, 9.73s/it] 481it [1:19:51, 9.71s/it] 482it [1:20:01, 9.71s/it] 483it [1:20:11, 9.72s/it] 484it [1:20:20, 9.73s/it] 485it [1:20:30, 9.77s/it] 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9.86s/it] 908it [2:29:52, 9.85s/it] 909it [2:30:02, 9.84s/it] 910it [2:30:12, 9.83s/it] 911it [2:30:22, 9.83s/it] 912it [2:30:32, 9.83s/it] 913it [2:30:42, 9.83s/it] 914it [2:30:51, 9.84s/it] 915it [2:31:01, 9.85s/it] 916it [2:31:11, 9.84s/it] 917it [2:31:21, 9.83s/it] 918it [2:31:31, 9.83s/it] 919it [2:31:40, 9.81s/it] 920it [2:31:50, 9.84s/it] 921it [2:32:00, 9.83s/it] 922it [2:32:10, 9.84s/it] 923it [2:32:20, 9.86s/it] 924it [2:32:30, 9.85s/it] 925it [2:32:40, 9.85s/it] 926it [2:32:49, 9.86s/it] 927it [2:32:59, 9.85s/it] 928it [2:33:09, 9.87s/it] 929it [2:33:19, 9.85s/it] 930it [2:33:29, 9.86s/it] 931it [2:33:39, 9.88s/it] 932it [2:33:49, 9.88s/it] 933it [2:33:59, 9.85s/it] 934it [2:34:08, 9.85s/it] 935it [2:34:18, 9.88s/it] 936it [2:34:28, 9.88s/it] 937it [2:34:38, 9.87s/it] 938it [2:34:48, 9.86s/it] 939it [2:34:58, 9.88s/it] 940it [2:35:08, 9.88s/it] 941it [2:35:18, 9.90s/it] 942it [2:35:28, 9.91s/it] 943it [2:35:37, 9.91s/it] 944it [2:35:47, 9.91s/it] 945it [2:35:57, 9.89s/it] 946it [2:36:07, 9.85s/it] 947it [2:36:17, 9.85s/it] 948it [2:36:27, 9.87s/it] 949it [2:36:37, 9.87s/it] 950it [2:36:47, 9.89s/it] 951it [2:36:56, 9.88s/it] 952it [2:37:06, 9.87s/it] 953it [2:37:16, 9.87s/it] 954it [2:37:26, 9.87s/it] 955it [2:37:36, 9.89s/it] 956it [2:37:46, 9.89s/it] 957it [2:37:56, 9.91s/it] 958it [2:38:06, 9.93s/it] 959it [2:38:16, 9.94s/it] 960it [2:38:26, 9.93s/it] 961it [2:38:36, 9.91s/it] 962it [2:38:45, 9.92s/it] 963it [2:38:55, 9.95s/it] 964it [2:39:05, 9.95s/it] 965it [2:39:15, 9.97s/it] 966it [2:39:25, 9.97s/it] 967it [2:39:35, 9.96s/it] 968it [2:39:45, 9.97s/it] 969it [2:39:55, 9.98s/it] 970it [2:40:05, 10.00s/it] 971it [2:40:15, 9.98s/it] 972it [2:40:25, 9.96s/it] 973it [2:40:35, 9.95s/it] 974it [2:40:45, 9.96s/it] 975it [2:40:55, 9.94s/it] 976it [2:41:05, 9.92s/it] 977it [2:41:15, 9.90s/it] 978it [2:41:25, 9.92s/it] 979it [2:41:35, 9.90s/it] 980it [2:41:44, 9.90s/it] 981it [2:41:54, 9.86s/it] 982it [2:42:04, 9.88s/it] 983it [2:42:14, 9.88s/it] 984it [2:42:24, 9.87s/it] 985it [2:42:34, 9.86s/it] 986it [2:42:44, 9.86s/it] 987it [2:42:53, 9.86s/it] 988it [2:43:03, 9.89s/it] 989it [2:43:13, 9.88s/it] 990it [2:43:23, 9.89s/it] 991it [2:43:33, 9.90s/it] 992it [2:43:43, 9.91s/it] 993it [2:43:53, 9.91s/it] 994it [2:44:03, 9.93s/it] 995it [2:44:13, 9.93s/it] 996it [2:44:23, 9.93s/it] 997it [2:44:33, 9.92s/it] 998it [2:44:43, 9.93s/it] 999it [2:44:53, 9.93s/it] 1000it [2:45:03, 9.93s/it] 1000it [2:45:03, 9.90s/it]
Error counts:
cyclic_id: 0
cyclic_inchikey: 0
cyclic_scaffold: 0
cyclic_mwt: 0
cyclic_clogp: 0
cyclic_tpsa: 0
⏰ Completed process in 2:45:25.905852
+ rm /nemo/lab/johnsone/home/users/johnsoe/data/datasets/cyc-pep-6-12mer-70M-2024/test/cyc-pep-6-12mer-70M_10.csv