cyc-pep-6-12mer-70M-2024 / validation /cyc-pep-6-12mer-70M_07.log
eachanjohnson's picture
Fix header (#2)
0436f6c verified
+ 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_07.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_07.csv
+ 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
+ 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
++ 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 0x7faf15993240>
0it [00:00, ?it/s] 1it [00:07, 7.51s/it] 2it [00:14, 7.42s/it] 3it [00:22, 7.38s/it] 4it [00:29, 7.44s/it] 5it [00:37, 7.57s/it] 6it [00:45, 7.64s/it] 7it [00:53, 7.67s/it] 8it [01:01, 7.78s/it] 9it [01:09, 7.86s/it] 10it [01:17, 8.03s/it] 11it [01:25, 8.02s/it] 12it [01:33, 8.07s/it] 13it [01:41, 8.13s/it] 14it [01:50, 8.25s/it] 15it [01:58, 8.19s/it] 16it [02:06, 8.20s/it] 17it [02:15, 8.24s/it] 18it [02:23, 8.35s/it] 19it [02:31, 8.29s/it] 20it [02:39, 8.16s/it] 21it [02:47, 8.04s/it] 22it [02:55, 8.06s/it] 23it [03:03, 8.00s/it] 24it [03:10, 7.83s/it] 25it [03:18, 7.73s/it] 26it [03:26, 7.84s/it] 27it [03:34, 7.80s/it] 28it [03:41, 7.79s/it] 29it [03:49, 7.78s/it] 30it [03:57, 7.93s/it] 31it [04:05, 7.90s/it] 32it [04:13, 7.76s/it] 33it [04:20, 7.70s/it] 34it [04:28, 7.79s/it] 35it [04:36, 7.77s/it] 36it [04:44, 7.72s/it] 37it [04:51, 7.67s/it] 38it [04:59, 7.79s/it] 39it [05:07, 7.76s/it] 40it [05:14, 7.66s/it] 41it [05:22, 7.57s/it] 42it [05:30, 7.70s/it] 43it [05:37, 7.70s/it] 44it [05:45, 7.66s/it] 45it [05:52, 7.61s/it] 46it [06:01, 7.73s/it] 47it [06:08, 7.74s/it] 48it [06:16, 7.59s/it] 49it [06:23, 7.48s/it] 50it [06:31, 7.58s/it] 51it [06:38, 7.52s/it] 52it [06:45, 7.46s/it] 53it [06:52, 7.40s/it] 54it [07:00, 7.52s/it] 55it [07:08, 7.51s/it] 56it [07:15, 7.55s/it] 57it [07:23, 7.62s/it] 58it [07:31, 7.80s/it] 59it [07:39, 7.84s/it] 60it [07:47, 7.78s/it] 61it [07:55, 7.73s/it] 62it [08:03, 7.84s/it] 63it [08:11, 7.84s/it] 64it [08:18, 7.80s/it] 65it [08:26, 7.73s/it] 66it [08:34, 7.83s/it] 67it [08:42, 7.82s/it] 68it [08:49, 7.74s/it] 69it [08:57, 7.67s/it] 70it [09:05, 7.77s/it] 71it [09:13, 7.78s/it] 72it [09:20, 7.69s/it] 73it [09:28, 7.62s/it] 74it [09:35, 7.68s/it] 75it [09:43, 7.64s/it] 76it [09:50, 7.60s/it] 77it [09:58, 7.60s/it] 78it [10:06, 7.73s/it] 79it [10:14, 7.77s/it] 80it [10:21, 7.65s/it] 81it [10:28, 7.53s/it] 82it [10:36, 7.54s/it] 83it [10:44, 7.52s/it] 84it [10:51, 7.48s/it] 85it [10:59, 7.52s/it] 86it [11:06, 7.64s/it] 87it [11:14, 7.67s/it] 88it [11:22, 7.69s/it] 89it [11:30, 7.77s/it] 90it [11:38, 7.91s/it] 91it [11:46, 8.04s/it] 92it [11:55, 8.05s/it] 93it [12:03, 8.12s/it] 94it [12:11, 8.20s/it] 95it [12:20, 8.27s/it] 96it [12:28, 8.25s/it] 97it [12:36, 8.28s/it] 98it [12:45, 8.35s/it] 99it [12:53, 8.47s/it] 100it [13:02, 8.39s/it] 101it [13:10, 8.26s/it] 102it [13:18, 8.19s/it] 103it [13:26, 8.22s/it] 104it [13:34, 8.08s/it] 105it [13:41, 7.93s/it] 106it [13:49, 7.87s/it] 107it [13:57, 7.92s/it] 108it [14:05, 7.87s/it] 109it [14:13, 7.88s/it] 110it [14:21, 7.92s/it] 111it [14:29, 8.04s/it] 112it [14:37, 7.96s/it] 113it [14:44, 7.83s/it] 114it [14:52, 7.73s/it] 115it [15:00, 7.84s/it] 116it [15:08, 7.83s/it] 117it [15:15, 7.79s/it] 118it [15:23, 7.77s/it] 119it [15:31, 7.89s/it] 120it [15:39, 7.84s/it] 121it [15:46, 7.72s/it] 122it [15:54, 7.65s/it] 123it [16:02, 7.80s/it] 124it [16:10, 7.79s/it] 125it [16:18, 7.77s/it] 126it [16:25, 7.68s/it] 127it [16:33, 7.81s/it] 128it [16:41, 7.79s/it] 129it [16:48, 7.52s/it] 130it [16:55, 7.34s/it] 131it [17:02, 7.35s/it] 132it [17:09, 7.27s/it] 133it [17:16, 7.20s/it] 134it [17:23, 7.12s/it] 135it [17:31, 7.22s/it] 136it [17:38, 7.20s/it] 137it [17:45, 7.23s/it] 138it [17:52, 7.28s/it] 139it [18:00, 7.45s/it] 140it [18:08, 7.46s/it] 141it [18:15, 7.39s/it] 142it [18:22, 7.34s/it] 143it [18:30, 7.48s/it] 144it [18:38, 7.49s/it] 145it [18:45, 7.43s/it] 146it [18:52, 7.35s/it] 147it [19:00, 7.44s/it] 148it [19:07, 7.41s/it] 149it [19:14, 7.32s/it] 150it [19:21, 7.27s/it] 151it [19:29, 7.37s/it] 152it [19:36, 7.37s/it] 153it [19:43, 7.29s/it] 154it [19:50, 7.20s/it] 155it [19:58, 7.27s/it] 156it [20:05, 7.23s/it] 157it [20:12, 7.17s/it] 158it [20:19, 7.17s/it] 159it [20:27, 7.28s/it] 160it [20:34, 7.31s/it] 161it [20:41, 7.22s/it] 162it [20:48, 7.15s/it] 163it [20:55, 7.21s/it] 164it [21:03, 7.22s/it] 165it [21:10, 7.19s/it] 166it [21:17, 7.18s/it] 167it [21:24, 7.28s/it] 168it [21:32, 7.31s/it] 169it [21:39, 7.32s/it] 170it [21:47, 7.41s/it] 171it [21:55, 7.56s/it] 172it [22:02, 7.66s/it] 173it [22:10, 7.68s/it] 174it [22:18, 7.71s/it] 175it [22:26, 7.80s/it] 176it [22:34, 7.85s/it] 177it [22:42, 7.82s/it] 178it [22:50, 7.83s/it] 179it [22:58, 7.91s/it] 180it [23:06, 8.02s/it] 181it [23:14, 7.91s/it] 182it [23:21, 7.77s/it] 183it [23:29, 7.71s/it] 184it [23:37, 7.77s/it] 185it [23:44, 7.65s/it] 186it [23:51, 7.53s/it] 187it [23:59, 7.48s/it] 188it [24:06, 7.53s/it] 189it [24:14, 7.47s/it] 190it [24:21, 7.47s/it] 191it [24:29, 7.51s/it] 192it [24:37, 7.65s/it] 193it [24:44, 7.58s/it] 194it [24:51, 7.48s/it] 195it [24:58, 7.41s/it] 196it [25:06, 7.48s/it] 197it [25:13, 7.41s/it] 198it [25:21, 7.38s/it] 199it [25:28, 7.37s/it] 200it [25:36, 7.49s/it] 201it [25:43, 7.43s/it] 202it [25:50, 7.33s/it] 203it [25:57, 7.25s/it] 204it [26:05, 7.36s/it] 205it [26:12, 7.32s/it] 206it [26:19, 7.28s/it] 207it [26:26, 7.23s/it] 208it [26:34, 7.37s/it] 209it [26:41, 7.37s/it] 210it [26:49, 7.30s/it] 211it [26:56, 7.23s/it] 212it [27:03, 7.34s/it] 213it [27:11, 7.34s/it] 214it [27:18, 7.31s/it] 215it [27:25, 7.26s/it] 216it [27:33, 7.39s/it] 217it [27:40, 7.40s/it] 218it [27:48, 7.42s/it] 219it [27:55, 7.45s/it] 220it [28:03, 7.61s/it] 221it [28:11, 7.65s/it] 222it [28:18, 7.59s/it] 223it [28:26, 7.55s/it] 224it [28:34, 7.68s/it] 225it [28:41, 7.69s/it] 226it [28:49, 7.62s/it] 227it [28:56, 7.54s/it] 228it [29:04, 7.61s/it] 229it [29:12, 7.61s/it] 230it [29:19, 7.53s/it] 231it [29:26, 7.46s/it] 232it [29:34, 7.55s/it] 233it [29:42, 7.56s/it] 234it [29:49, 7.48s/it] 235it [29:56, 7.43s/it] 236it [30:04, 7.47s/it] 237it [30:11, 7.49s/it] 238it [30:19, 7.44s/it] 239it [30:26, 7.42s/it] 240it [30:34, 7.51s/it] 241it [30:41, 7.54s/it] 242it [30:48, 7.44s/it] 243it [30:56, 7.33s/it] 244it [31:03, 7.35s/it] 245it [31:10, 7.35s/it] 246it [31:18, 7.30s/it] 247it [31:25, 7.34s/it] 248it [31:33, 7.44s/it] 249it [31:40, 7.53s/it] 250it [31:48, 7.56s/it] 251it [31:56, 7.68s/it] 252it [32:04, 7.81s/it] 253it [32:12, 7.94s/it] 254it [32:20, 7.95s/it] 255it [32:28, 7.98s/it] 256it [32:37, 8.05s/it] 257it [32:45, 8.14s/it] 258it [32:53, 8.11s/it] 259it [33:01, 8.13s/it] 260it [33:09, 8.18s/it] 261it [33:18, 8.30s/it] 262it [33:26, 8.21s/it] 263it [33:34, 8.08s/it] 264it [33:42, 8.02s/it] 265it [33:50, 8.06s/it] 266it [33:58, 7.96s/it] 267it [34:05, 7.82s/it] 268it [34:13, 7.76s/it] 269it [34:21, 7.81s/it] 270it [34:28, 7.75s/it] 271it [34:36, 7.78s/it] 272it [34:44, 7.78s/it] 273it [34:52, 7.91s/it] 274it [35:00, 7.87s/it] 275it [35:07, 7.77s/it] 276it [35:15, 7.66s/it] 277it [35:23, 7.75s/it] 278it [35:30, 7.71s/it] 279it [35:38, 7.66s/it] 280it [35:45, 7.62s/it] 281it [35:53, 7.74s/it] 282it [36:01, 7.75s/it] 283it [36:09, 7.64s/it] 284it [36:16, 7.56s/it] 285it [36:24, 7.68s/it] 286it [36:31, 7.65s/it] 287it [36:39, 7.60s/it] 288it [36:46, 7.55s/it] 289it [36:54, 7.68s/it] 290it [37:02, 7.68s/it] 291it [37:10, 7.63s/it] 292it [37:17, 7.60s/it] 293it [37:25, 7.73s/it] 294it [37:33, 7.75s/it] 295it [37:41, 7.71s/it] 296it [37:48, 7.67s/it] 297it [37:56, 7.81s/it] 298it [38:04, 7.82s/it] 299it [38:12, 7.86s/it] 300it [38:20, 7.89s/it] 301it [38:29, 8.09s/it] 302it [38:37, 8.13s/it] 303it [38:45, 8.07s/it] 304it [38:53, 8.03s/it] 305it [39:01, 8.12s/it] 306it [39:09, 8.13s/it] 307it [39:17, 8.06s/it] 308it [39:25, 8.02s/it] 309it [39:33, 8.08s/it] 310it [39:41, 8.11s/it] 311it [39:49, 8.03s/it] 312it [39:57, 7.98s/it] 313it [40:05, 8.04s/it] 314it [40:13, 8.03s/it] 315it [40:21, 7.96s/it] 316it [40:29, 7.89s/it] 317it [40:37, 7.96s/it] 318it [40:45, 7.97s/it] 319it [40:53, 7.93s/it] 320it [41:01, 7.92s/it] 321it [41:09, 8.02s/it] 322it [41:17, 8.06s/it] 323it [41:25, 7.95s/it] 324it [41:32, 7.84s/it] 325it [41:40, 7.84s/it] 326it [41:48, 7.86s/it] 327it [41:56, 7.81s/it] 328it [42:04, 7.85s/it] 329it [42:12, 7.93s/it] 330it [42:20, 8.04s/it] 331it [42:28, 8.07s/it] 332it [42:37, 8.18s/it] 333it [42:45, 8.33s/it] 334it [42:54, 8.48s/it] 335it [43:03, 8.45s/it] 336it [43:11, 8.48s/it] 337it [43:20, 8.53s/it] 338it [43:29, 8.66s/it] 339it [43:37, 8.63s/it] 340it [43:46, 8.64s/it] 341it [43:55, 8.67s/it] 342it [44:04, 8.82s/it] 343it [44:12, 8.77s/it] 344it [44:21, 8.61s/it] 345it [44:29, 8.51s/it] 346it [44:38, 8.56s/it] 347it [44:46, 8.48s/it] 348it [44:54, 8.32s/it] 349it [45:02, 8.22s/it] 350it [45:10, 8.30s/it] 351it [45:19, 8.26s/it] 352it [45:27, 8.24s/it] 353it [45:35, 8.23s/it] 354it [45:44, 8.39s/it] 355it [45:52, 8.39s/it] 356it [46:00, 8.26s/it] 357it [46:08, 8.18s/it] 358it [46:17, 8.32s/it] 359it [46:25, 8.28s/it] 360it [46:33, 8.20s/it] 361it [46:41, 8.12s/it] 362it [46:49, 8.24s/it] 363it [46:58, 8.23s/it] 364it [47:05, 8.14s/it] 365it [47:13, 8.04s/it] 366it [47:22, 8.16s/it] 367it [47:30, 8.15s/it] 368it [47:38, 8.08s/it] 369it [47:46, 8.03s/it] 370it [47:54, 8.17s/it] 371it [48:02, 8.18s/it] 372it [48:10, 8.05s/it] 373it [48:18, 7.91s/it] 374it [48:26, 7.97s/it] 375it [48:34, 7.93s/it] 376it [48:41, 7.87s/it] 377it [48:49, 7.81s/it] 378it [48:57, 7.93s/it] 379it [49:05, 7.91s/it] 380it [49:13, 7.95s/it] 381it [49:21, 7.99s/it] 382it [49:30, 8.17s/it] 383it [49:38, 8.22s/it] 384it [49:46, 8.19s/it] 385it [49:54, 8.16s/it] 386it [50:03, 8.24s/it] 387it [50:11, 8.27s/it] 388it [50:19, 8.20s/it] 389it [50:27, 8.17s/it] 390it [50:36, 8.23s/it] 391it [50:44, 8.27s/it] 392it [50:52, 8.19s/it] 393it [51:00, 8.14s/it] 394it [51:08, 8.17s/it] 395it [51:17, 8.19s/it] 396it [51:25, 8.12s/it] 397it [51:32, 8.07s/it] 398it [51:41, 8.10s/it] 399it [51:49, 8.13s/it] 400it [51:57, 8.16s/it] 401it [52:05, 8.16s/it] 402it [52:14, 8.22s/it] 403it [52:22, 8.29s/it] 404it [52:30, 8.18s/it] 405it [52:38, 8.05s/it] 406it [52:46, 8.04s/it] 407it [52:54, 8.11s/it] 408it [53:02, 8.02s/it] 409it [53:10, 8.04s/it] 410it [53:18, 8.07s/it] 411it [53:26, 8.18s/it] 412it [53:35, 8.17s/it] 413it [53:43, 8.28s/it] 414it [53:52, 8.39s/it] 415it [54:01, 8.57s/it] 416it [54:09, 8.58s/it] 417it [54:18, 8.61s/it] 418it [54:27, 8.67s/it] 419it [54:36, 8.82s/it] 420it [54:45, 8.82s/it] 421it [54:54, 8.81s/it] 422it [55:02, 8.78s/it] 423it [55:12, 8.94s/it] 424it [55:20, 8.90s/it] 425it [55:29, 8.80s/it] 426it [55:37, 8.67s/it] 427it [55:46, 8.72s/it] 428it [55:55, 8.65s/it] 429it [56:03, 8.47s/it] 430it [56:11, 8.31s/it] 431it [56:19, 8.38s/it] 432it [56:27, 8.34s/it] 433it [56:36, 8.32s/it] 434it [56:44, 8.29s/it] 435it [56:53, 8.45s/it] 436it [57:01, 8.47s/it] 437it [57:09, 8.34s/it] 438it [57:17, 8.24s/it] 439it [57:26, 8.32s/it] 440it [57:34, 8.30s/it] 441it [57:42, 8.25s/it] 442it [57:50, 8.21s/it] 443it [57:59, 8.33s/it] 444it [58:07, 8.32s/it] 445it [58:15, 8.23s/it] 446it [58:23, 8.14s/it] 447it [58:32, 8.25s/it] 448it [58:40, 8.23s/it] 449it [58:48, 8.20s/it] 450it [58:56, 8.14s/it] 451it [59:05, 8.26s/it] 452it [59:13, 8.27s/it] 453it [59:21, 8.17s/it] 454it [59:29, 8.07s/it] 455it [59:37, 8.11s/it] 456it [59:45, 8.11s/it] 457it [59:53, 8.04s/it] 458it [1:00:01, 8.02s/it] 459it [1:00:09, 8.07s/it] 460it [1:00:17, 8.10s/it] 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921it [2:02:51, 8.24s/it] 922it [2:02:59, 8.26s/it] 923it [2:03:07, 8.14s/it] 924it [2:03:15, 8.01s/it] 925it [2:03:23, 8.12s/it] 926it [2:03:31, 8.07s/it] 927it [2:03:39, 8.00s/it] 928it [2:03:47, 7.93s/it] 929it [2:03:55, 8.03s/it] 930it [2:04:03, 8.03s/it] 931it [2:04:11, 7.93s/it] 932it [2:04:19, 7.84s/it] 933it [2:04:27, 7.95s/it] 934it [2:04:35, 7.91s/it] 935it [2:04:42, 7.84s/it] 936it [2:04:50, 7.78s/it] 937it [2:04:58, 7.90s/it] 938it [2:05:06, 7.91s/it] 939it [2:05:13, 7.73s/it] 940it [2:05:20, 7.54s/it] 941it [2:05:28, 7.56s/it] 942it [2:05:35, 7.49s/it] 943it [2:05:42, 7.40s/it] 944it [2:05:50, 7.32s/it] 945it [2:05:57, 7.41s/it] 946it [2:06:05, 7.40s/it] 947it [2:06:12, 7.40s/it] 948it [2:06:20, 7.45s/it] 949it [2:06:28, 7.60s/it] 950it [2:06:35, 7.65s/it] 951it [2:06:43, 7.60s/it] 952it [2:06:50, 7.58s/it] 953it [2:06:58, 7.67s/it] 954it [2:07:06, 7.69s/it] 955it [2:07:13, 7.63s/it] 956it [2:07:21, 7.58s/it] 957it [2:07:29, 7.63s/it] 958it [2:07:36, 7.66s/it] 959it [2:07:44, 7.58s/it] 960it [2:07:51, 7.53s/it] 961it [2:07:59, 7.58s/it] 962it [2:08:07, 7.62s/it] 963it [2:08:14, 7.53s/it] 964it [2:08:21, 7.50s/it] 965it [2:08:29, 7.50s/it] 966it [2:08:37, 7.56s/it] 967it [2:08:44, 7.49s/it] 968it [2:08:51, 7.49s/it] 969it [2:08:59, 7.53s/it] 970it [2:09:07, 7.64s/it] 971it [2:09:14, 7.55s/it] 972it [2:09:21, 7.43s/it] 973it [2:09:29, 7.37s/it] 974it [2:09:36, 7.41s/it] 975it [2:09:43, 7.35s/it] 976it [2:09:51, 7.40s/it] 977it [2:09:58, 7.43s/it] 978it [2:10:06, 7.57s/it] 979it [2:10:14, 7.56s/it] 980it [2:10:22, 7.67s/it] 981it [2:10:30, 7.75s/it] 982it [2:10:38, 7.94s/it] 983it [2:10:46, 7.97s/it] 984it [2:10:54, 7.99s/it] 985it [2:11:02, 7.99s/it] 986it [2:11:11, 8.15s/it] 987it [2:11:19, 8.17s/it] 988it [2:11:27, 8.17s/it] 989it [2:11:35, 8.18s/it] 990it [2:11:44, 8.34s/it] 991it [2:11:52, 8.32s/it] 992it [2:12:00, 8.15s/it] 993it [2:12:08, 8.01s/it] 994it [2:12:16, 8.07s/it] 995it [2:12:24, 8.03s/it] 996it [2:12:31, 7.87s/it] 997it [2:12:39, 7.75s/it] 998it [2:12:47, 7.83s/it] 999it [2:12:54, 7.79s/it] 1000it [2:13:02, 7.77s/it] 1000it [2:13:02, 7.98s/it]
Error counts:
cyclic_id: 0
cyclic_inchikey: 0
cyclic_scaffold: 0
cyclic_mwt: 0
cyclic_clogp: 0
cyclic_tpsa: 0
⏰ Completed process in 2:13:20.859728
+ rm /nemo/lab/johnsone/home/users/johnsoe/data/datasets/cyc-pep-6-12mer-70M-2024/validation/cyc-pep-6-12mer-70M_07.csv