cyc-pep-6-12mer-70M-2024 / test /cyc-pep-6-12mer-70M_08.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/test/cyc-pep-6-12mer-70M_08.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_08.csv
+ schemist convert -f csv --column cysteine_to_N_cyclization --to id inchikey scaffold mwt clogp tpsa --prefix cyclic_ --options prefix=SCB-
++ head -n1
+ gzip --best
++ tr ' ' ,
++ 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 0x7f6753cc7240>
0it [00:00, ?it/s] 1it [00:08, 8.17s/it] 2it [00:16, 8.30s/it] 3it [00:24, 8.36s/it] 4it [00:33, 8.30s/it] 5it [00:41, 8.30s/it] 6it [00:50, 8.38s/it] 7it [00:58, 8.45s/it] 8it [01:06, 8.36s/it] 9it [01:14, 8.27s/it] 10it [01:22, 8.20s/it] 11it [01:31, 8.22s/it] 12it [01:38, 8.08s/it] 13it [01:46, 7.95s/it] 14it [01:54, 7.89s/it] 15it [02:02, 7.95s/it] 16it [02:10, 7.89s/it] 17it [02:18, 7.89s/it] 18it [02:25, 7.87s/it] 19it [02:34, 8.02s/it] 20it [02:42, 8.02s/it] 21it [02:49, 7.89s/it] 22it [02:57, 7.79s/it] 23it [03:05, 7.89s/it] 24it [03:13, 7.86s/it] 25it [03:21, 7.81s/it] 26it [03:28, 7.74s/it] 27it [03:36, 7.87s/it] 28it [03:44, 7.89s/it] 29it [03:52, 7.79s/it] 30it [03:59, 7.71s/it] 31it [04:07, 7.82s/it] 32it [04:15, 7.80s/it] 33it [04:23, 7.76s/it] 34it [04:30, 7.71s/it] 35it [04:38, 7.83s/it] 36it [04:46, 7.85s/it] 37it [04:54, 7.68s/it] 38it [05:01, 7.52s/it] 39it [05:08, 7.52s/it] 40it [05:16, 7.46s/it] 41it [05:23, 7.37s/it] 42it [05:30, 7.34s/it] 43it [05:38, 7.43s/it] 44it [05:45, 7.43s/it] 45it [05:53, 7.42s/it] 46it [06:00, 7.47s/it] 47it [06:08, 7.59s/it] 48it [06:16, 7.69s/it] 49it [06:24, 7.65s/it] 50it [06:31, 7.61s/it] 51it [06:39, 7.66s/it] 52it [06:47, 7.73s/it] 53it [06:54, 7.66s/it] 54it [07:02, 7.61s/it] 55it [07:09, 7.60s/it] 56it [07:17, 7.69s/it] 57it [07:25, 7.63s/it] 58it [07:32, 7.56s/it] 59it [07:39, 7.52s/it] 60it [07:47, 7.62s/it] 61it [07:55, 7.56s/it] 62it [08:02, 7.49s/it] 63it [08:09, 7.42s/it] 64it [08:17, 7.55s/it] 65it [08:25, 7.53s/it] 66it [08:32, 7.49s/it] 67it [08:39, 7.45s/it] 68it [08:47, 7.63s/it] 69it [08:55, 7.62s/it] 70it [09:02, 7.49s/it] 71it [09:09, 7.37s/it] 72it [09:17, 7.46s/it] 73it [09:24, 7.42s/it] 74it [09:32, 7.41s/it] 75it [09:39, 7.40s/it] 76it [09:47, 7.56s/it] 77it [09:55, 7.59s/it] 78it [10:02, 7.64s/it] 79it [10:10, 7.71s/it] 80it [10:19, 7.91s/it] 81it [10:27, 7.99s/it] 82it [10:35, 7.96s/it] 83it [10:43, 8.00s/it] 84it [10:51, 8.10s/it] 85it [11:00, 8.17s/it] 86it [11:08, 8.14s/it] 87it [11:16, 8.18s/it] 88it [11:24, 8.26s/it] 89it [11:33, 8.35s/it] 90it [11:41, 8.25s/it] 91it [11:49, 8.15s/it] 92it [11:57, 8.06s/it] 93it [12:05, 8.09s/it] 94it [12:13, 8.01s/it] 95it [12:20, 7.88s/it] 96it [12:28, 7.78s/it] 97it [12:36, 7.85s/it] 98it [12:43, 7.80s/it] 99it [12:51, 7.82s/it] 100it [12:59, 7.80s/it] 101it [13:07, 7.92s/it] 102it [13:15, 7.93s/it] 103it [13:23, 7.81s/it] 104it [13:30, 7.69s/it] 105it [13:38, 7.79s/it] 106it [13:46, 7.77s/it] 107it [13:53, 7.71s/it] 108it [14:01, 7.65s/it] 109it [14:09, 7.78s/it] 110it [14:17, 7.80s/it] 111it [14:24, 7.71s/it] 112it [14:32, 7.62s/it] 113it [14:40, 7.72s/it] 114it [14:48, 7.74s/it] 115it [14:55, 7.67s/it] 116it [15:03, 7.61s/it] 117it [15:10, 7.71s/it] 118it [15:18, 7.75s/it] 119it [15:26, 7.61s/it] 120it [15:33, 7.49s/it] 121it [15:40, 7.52s/it] 122it [15:48, 7.53s/it] 123it [15:55, 7.44s/it] 124it [16:02, 7.39s/it] 125it [16:10, 7.45s/it] 126it [16:18, 7.51s/it] 127it [16:25, 7.49s/it] 128it [16:33, 7.54s/it] 129it [16:41, 7.66s/it] 130it [16:49, 7.77s/it] 131it [16:56, 7.73s/it] 132it [17:04, 7.69s/it] 133it [17:12, 7.72s/it] 134it [17:20, 7.82s/it] 135it [17:27, 7.75s/it] 136it [17:35, 7.69s/it] 137it [17:43, 7.68s/it] 138it [17:51, 7.78s/it] 139it [17:58, 7.70s/it] 140it [18:06, 7.64s/it] 141it [18:13, 7.59s/it] 142it [18:21, 7.71s/it] 143it [18:29, 7.66s/it] 144it [18:36, 7.57s/it] 145it [18:43, 7.50s/it] 146it [18:51, 7.63s/it] 147it [18:59, 7.60s/it] 148it [19:06, 7.57s/it] 149it [19:14, 7.55s/it] 150it [19:22, 7.72s/it] 151it [19:30, 7.69s/it] 152it [19:37, 7.54s/it] 153it [19:44, 7.43s/it] 154it [19:52, 7.52s/it] 155it [19:59, 7.47s/it] 156it [20:06, 7.46s/it] 157it [20:14, 7.46s/it] 158it [20:22, 7.62s/it] 159it [20:30, 7.63s/it] 160it [20:37, 7.69s/it] 161it [20:45, 7.78s/it] 162it [20:54, 7.98s/it] 163it [21:02, 8.06s/it] 164it [21:10, 8.05s/it] 165it [21:18, 8.10s/it] 166it [21:27, 8.21s/it] 167it [21:35, 8.26s/it] 168it [21:43, 8.23s/it] 169it [21:52, 8.28s/it] 170it [22:00, 8.35s/it] 171it [22:09, 8.43s/it] 172it [22:17, 8.33s/it] 173it [22:25, 8.21s/it] 174it [22:33, 8.14s/it] 175it [22:41, 8.16s/it] 176it [22:49, 8.03s/it] 177it [22:56, 7.91s/it] 178it [23:04, 7.85s/it] 179it [23:12, 7.91s/it] 180it [23:20, 7.84s/it] 181it [23:28, 7.84s/it] 182it [23:36, 7.87s/it] 183it [23:44, 8.00s/it] 184it [23:52, 7.96s/it] 185it [23:59, 7.83s/it] 186it [24:07, 7.75s/it] 187it [24:15, 7.83s/it] 188it [24:23, 7.80s/it] 189it [24:30, 7.75s/it] 190it [24:38, 7.71s/it] 191it [24:46, 7.85s/it] 192it [24:54, 7.84s/it] 193it [25:01, 7.75s/it] 194it [25:09, 7.68s/it] 195it [25:17, 7.79s/it] 196it [25:25, 7.76s/it] 197it [25:32, 7.72s/it] 198it [25:40, 7.67s/it] 199it [25:48, 7.83s/it] 200it [25:56, 7.82s/it] 201it [26:04, 8.02s/it] 202it [26:13, 8.20s/it] 203it [26:22, 8.34s/it] 204it [26:30, 8.42s/it] 205it [26:39, 8.50s/it] 206it [26:48, 8.54s/it] 207it [26:56, 8.59s/it] 208it [27:05, 8.61s/it] 209it [27:14, 8.64s/it] 210it [27:22, 8.64s/it] 211it [27:31, 8.65s/it] 212it [27:40, 8.65s/it] 213it [27:48, 8.65s/it] 214it [27:57, 8.64s/it] 215it [28:06, 8.65s/it] 216it [28:14, 8.64s/it] 217it [28:23, 8.64s/it] 218it [28:31, 8.66s/it] 219it [28:40, 8.65s/it] 220it [28:49, 8.66s/it] 221it [28:57, 8.64s/it] 222it [29:06, 8.65s/it] 223it [29:15, 8.65s/it] 224it [29:23, 8.64s/it] 225it [29:32, 8.64s/it] 226it [29:41, 8.64s/it] 227it [29:49, 8.64s/it] 228it [29:58, 8.63s/it] 229it [30:07, 8.63s/it] 230it [30:15, 8.64s/it] 231it [30:24, 8.66s/it] 232it [30:33, 8.66s/it] 233it [30:41, 8.67s/it] 234it [30:50, 8.66s/it] 235it [30:59, 8.67s/it] 236it [31:07, 8.67s/it] 237it [31:16, 8.66s/it] 238it [31:24, 8.65s/it] 239it [31:33, 8.66s/it] 240it [31:42, 8.63s/it] 241it [31:50, 8.62s/it] 242it [31:59, 8.63s/it] 243it [32:08, 8.62s/it] 244it [32:16, 8.63s/it] 245it [32:25, 8.62s/it] 246it [32:33, 8.61s/it] 247it [32:42, 8.61s/it] 248it [32:51, 8.61s/it] 249it [32:59, 8.61s/it] 250it [33:08, 8.62s/it] 251it [33:17, 8.62s/it] 252it [33:25, 8.62s/it] 253it [33:34, 8.61s/it] 254it [33:42, 8.61s/it] 255it [33:51, 8.60s/it] 256it [34:00, 8.60s/it] 257it [34:08, 8.61s/it] 258it [34:17, 8.62s/it] 259it [34:25, 8.62s/it] 260it [34:34, 8.64s/it] 261it [34:43, 8.63s/it] 262it [34:51, 8.64s/it] 263it [35:00, 8.62s/it] 264it [35:09, 8.62s/it] 265it [35:17, 8.61s/it] 266it [35:26, 8.60s/it] 267it [35:34, 8.61s/it] 268it [35:43, 8.62s/it] 269it [35:52, 8.62s/it] 270it [36:00, 8.63s/it] 271it [36:09, 8.62s/it] 272it [36:18, 8.63s/it] 273it [36:26, 8.61s/it] 274it [36:35, 8.62s/it] 275it [36:43, 8.60s/it] 276it [36:52, 8.61s/it] 277it [37:00, 8.59s/it] 278it [37:09, 8.62s/it] 279it [37:18, 8.62s/it] 280it [37:26, 8.63s/it] 281it [37:35, 8.63s/it] 282it [37:44, 8.63s/it] 283it [37:52, 8.63s/it] 284it [38:01, 8.62s/it] 285it [38:09, 8.60s/it] 286it [38:18, 8.61s/it] 287it [38:27, 8.61s/it] 288it [38:35, 8.61s/it] 289it [38:44, 8.62s/it] 290it [38:53, 8.61s/it] 291it [39:01, 8.61s/it] 292it [39:10, 8.62s/it] 293it [39:18, 8.61s/it] 294it [39:27, 8.61s/it] 295it [39:36, 8.62s/it] 296it [39:44, 8.60s/it] 297it [39:53, 8.60s/it] 298it [40:01, 8.61s/it] 299it [40:10, 8.62s/it] 300it [40:19, 8.61s/it] 301it [40:27, 8.61s/it] 302it [40:36, 8.60s/it] 303it [40:45, 8.61s/it] 304it [40:53, 8.61s/it] 305it [41:02, 8.64s/it] 306it [41:10, 8.64s/it] 307it [41:19, 8.63s/it] 308it [41:28, 8.63s/it] 309it [41:36, 8.63s/it] 310it [41:45, 8.62s/it] 311it [41:54, 8.61s/it] 312it [42:02, 8.61s/it] 313it [42:11, 8.61s/it] 314it [42:19, 8.62s/it] 315it [42:28, 8.62s/it] 316it [42:37, 8.63s/it] 317it [42:45, 8.62s/it] 318it [42:54, 8.60s/it] 319it [43:02, 8.61s/it] 320it [43:11, 8.62s/it] 321it [43:20, 8.62s/it] 322it [43:28, 8.61s/it] 323it [43:37, 8.62s/it] 324it [43:46, 8.61s/it] 325it [43:54, 8.61s/it] 326it [44:03, 8.59s/it] 327it [44:11, 8.62s/it] 328it [44:20, 8.61s/it] 329it [44:29, 8.61s/it] 330it [44:37, 8.60s/it] 331it [44:46, 8.61s/it] 332it [44:54, 8.60s/it] 333it [45:03, 8.59s/it] 334it [45:12, 8.60s/it] 335it [45:20, 8.63s/it] 336it [45:29, 8.61s/it] 337it [45:37, 8.62s/it] 338it [45:46, 8.62s/it] 339it [45:55, 8.64s/it] 340it [46:03, 8.63s/it] 341it [46:12, 8.64s/it] 342it [46:21, 8.63s/it] 343it [46:29, 8.63s/it] 344it [46:38, 8.64s/it] 345it [46:47, 8.62s/it] 346it [46:55, 8.61s/it] 347it [47:04, 8.62s/it] 348it [47:12, 8.63s/it] 349it [47:21, 8.63s/it] 350it [47:30, 8.63s/it] 351it [47:38, 8.63s/it] 352it [47:47, 8.63s/it] 353it [47:55, 8.62s/it] 354it [48:04, 8.59s/it] 355it [48:13, 8.60s/it] 356it [48:21, 8.59s/it] 357it [48:30, 8.58s/it] 358it [48:38, 8.61s/it] 359it [48:47, 8.60s/it] 360it [48:56, 8.61s/it] 361it [49:04, 8.61s/it] 362it [49:13, 8.62s/it] 363it [49:21, 8.61s/it] 364it [49:30, 8.61s/it] 365it [49:39, 8.61s/it] 366it [49:47, 8.63s/it] 367it [49:56, 8.61s/it] 368it [50:05, 8.64s/it] 369it [50:13, 8.62s/it] 370it [50:22, 8.62s/it] 371it [50:30, 8.61s/it] 372it [50:39, 8.61s/it] 373it [50:48, 8.61s/it] 374it [50:56, 8.62s/it] 375it [51:05, 8.62s/it] 376it [51:14, 8.61s/it] 377it [51:22, 8.61s/it] 378it [51:31, 8.60s/it] 379it [51:39, 8.60s/it] 380it [51:48, 8.60s/it] 381it [51:57, 8.60s/it] 382it [52:05, 8.59s/it] 383it [52:14, 8.58s/it] 384it [52:22, 8.59s/it] 385it [52:31, 8.60s/it] 386it [52:39, 8.59s/it] 387it [52:48, 8.60s/it] 388it [52:57, 8.60s/it] 389it [53:05, 8.62s/it] 390it [53:14, 8.61s/it] 391it [53:23, 8.61s/it] 392it [53:31, 8.60s/it] 393it [53:40, 8.61s/it] 394it [53:48, 8.60s/it] 395it [53:57, 8.60s/it] 396it [54:06, 8.60s/it] 397it [54:14, 8.61s/it] 398it [54:23, 8.60s/it] 399it [54:31, 8.61s/it] 400it [54:40, 8.60s/it] 401it [54:49, 8.61s/it] 402it [54:57, 8.60s/it] 403it [55:06, 8.59s/it] 404it [55:14, 8.59s/it] 405it [55:23, 8.60s/it] 406it [55:32, 8.61s/it] 407it [55:40, 8.61s/it] 408it [55:49, 8.61s/it] 409it [55:57, 8.60s/it] 410it [56:06, 8.58s/it] 411it [56:14, 8.57s/it] 412it [56:23, 8.58s/it] 413it [56:32, 8.59s/it] 414it [56:40, 8.58s/it] 415it [56:49, 8.60s/it] 416it [56:58, 8.62s/it] 417it [57:06, 8.64s/it] 418it [57:15, 8.65s/it] 419it [57:24, 8.68s/it] 420it [57:32, 8.65s/it] 421it [57:41, 8.64s/it] 422it [57:49, 8.61s/it] 423it [57:58, 8.61s/it] 424it [58:07, 8.60s/it] 425it [58:15, 8.60s/it] 426it [58:24, 8.60s/it] 427it [58:32, 8.60s/it] 428it [58:41, 8.62s/it] 429it [58:50, 8.63s/it] 430it [58:58, 8.62s/it] 431it [59:07, 8.62s/it] 432it [59:16, 8.63s/it] 433it [59:24, 8.61s/it] 434it [59:33, 8.61s/it] 435it [59:41, 8.61s/it] 436it [59:50, 8.61s/it] 437it [59:59, 8.62s/it] 438it [1:00:07, 8.62s/it] 439it [1:00:16, 8.61s/it] 440it [1:00:24, 8.60s/it] 441it [1:00:33, 8.60s/it] 442it [1:00:42, 8.61s/it] 443it [1:00:50, 8.61s/it] 444it [1:00:59, 8.62s/it] 445it [1:01:07, 8.61s/it] 446it [1:01:16, 8.62s/it] 447it [1:01:25, 8.60s/it] 448it [1:01:33, 8.59s/it] 449it [1:01:42, 8.59s/it] 450it [1:01:50, 8.59s/it] 451it [1:01:59, 8.60s/it] 452it [1:02:08, 8.61s/it] 453it [1:02:16, 8.60s/it] 454it [1:02:25, 8.60s/it] 455it [1:02:33, 8.61s/it] 456it [1:02:42, 8.61s/it] 457it [1:02:51, 8.66s/it] 458it [1:02:59, 8.66s/it] 459it [1:03:08, 8.64s/it] 460it [1:03:17, 8.62s/it] 461it [1:03:25, 8.62s/it] 462it [1:03:34, 8.60s/it] 463it [1:03:42, 8.61s/it] 464it [1:03:51, 8.60s/it] 465it [1:04:00, 8.60s/it] 466it [1:04:08, 8.60s/it] 467it [1:04:17, 8.58s/it] 468it [1:04:25, 8.60s/it] 469it [1:04:34, 8.59s/it] 470it [1:04:43, 8.58s/it] 471it [1:04:51, 8.58s/it] 472it [1:05:00, 8.57s/it] 473it [1:05:08, 8.58s/it] 474it [1:05:17, 8.59s/it] 475it [1:05:26, 8.60s/it] 476it [1:05:34, 8.60s/it] 477it [1:05:43, 8.62s/it] 478it [1:05:51, 8.62s/it] 479it [1:06:00, 8.62s/it] 480it [1:06:09, 8.62s/it] 481it [1:06:17, 8.62s/it] 482it [1:06:26, 8.63s/it] 483it [1:06:35, 8.63s/it] 484it [1:06:43, 8.62s/it] 485it [1:06:52, 8.62s/it] 486it [1:07:00, 8.61s/it] 487it [1:07:09, 8.60s/it] 488it [1:07:18, 8.61s/it] 489it [1:07:26, 8.60s/it] 490it [1:07:35, 8.61s/it] 491it [1:07:43, 8.62s/it] 492it [1:07:52, 8.62s/it] 493it [1:08:01, 8.60s/it] 494it [1:08:09, 8.60s/it] 495it [1:08:18, 8.59s/it] 496it [1:08:26, 8.60s/it] 497it [1:08:35, 8.60s/it] 498it [1:08:44, 8.61s/it] 499it [1:08:52, 8.60s/it] 500it [1:09:01, 8.61s/it] 501it [1:09:09, 8.61s/it] 502it [1:09:18, 8.62s/it] 503it [1:09:27, 8.62s/it] 504it [1:09:35, 8.63s/it] 505it [1:09:44, 8.62s/it] 506it [1:09:53, 8.61s/it] 507it [1:10:01, 8.62s/it] 508it [1:10:10, 8.62s/it] 509it [1:10:18, 8.60s/it] 510it [1:10:27, 8.59s/it] 511it [1:10:36, 8.59s/it] 512it [1:10:44, 8.60s/it] 513it [1:10:53, 8.60s/it] 514it [1:11:01, 8.59s/it] 515it [1:11:10, 8.60s/it] 516it [1:11:19, 8.61s/it] 517it [1:11:27, 8.61s/it] 518it [1:11:36, 8.60s/it] 519it [1:11:44, 8.60s/it] 520it [1:11:53, 8.61s/it] 521it [1:12:02, 8.61s/it] 522it [1:12:10, 8.61s/it] 523it [1:12:19, 8.60s/it] 524it [1:12:27, 8.60s/it] 525it [1:12:36, 8.59s/it] 526it [1:12:45, 8.59s/it] 527it [1:12:53, 8.60s/it] 528it [1:13:02, 8.60s/it] 529it [1:13:10, 8.59s/it] 530it [1:13:19, 8.59s/it] 531it [1:13:28, 8.60s/it] 532it [1:13:36, 8.60s/it] 533it [1:13:45, 8.61s/it] 534it [1:13:53, 8.61s/it] 535it [1:14:02, 8.61s/it] 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[2:09:16, 8.62s/it] 920it [2:09:25, 8.63s/it] 921it [2:09:34, 8.62s/it] 922it [2:09:42, 8.63s/it] 923it [2:09:51, 8.62s/it] 924it [2:09:59, 8.63s/it] 925it [2:10:08, 8.63s/it] 926it [2:10:17, 8.64s/it] 927it [2:10:25, 8.62s/it] 928it [2:10:34, 8.62s/it] 929it [2:10:43, 8.63s/it] 930it [2:10:51, 8.64s/it] 931it [2:11:00, 8.61s/it] 932it [2:11:09, 8.62s/it] 933it [2:11:17, 8.64s/it] 934it [2:11:26, 8.65s/it] 935it [2:11:35, 8.65s/it] 936it [2:11:43, 8.66s/it] 937it [2:11:52, 8.65s/it] 938it [2:12:00, 8.64s/it] 939it [2:12:09, 8.62s/it] 940it [2:12:18, 8.63s/it] 941it [2:12:26, 8.64s/it] 942it [2:12:35, 8.65s/it] 943it [2:12:44, 8.66s/it] 944it [2:12:52, 8.65s/it] 945it [2:13:01, 8.66s/it] 946it [2:13:10, 8.67s/it] 947it [2:13:18, 8.68s/it] 948it [2:13:27, 8.68s/it] 949it [2:13:36, 8.67s/it] 950it [2:13:44, 8.67s/it] 951it [2:13:53, 8.67s/it] 952it [2:14:02, 8.67s/it] 953it [2:14:10, 8.66s/it] 954it [2:14:19, 8.67s/it] 955it [2:14:28, 8.67s/it] 956it [2:14:36, 8.65s/it] 957it [2:14:45, 8.65s/it] 958it [2:14:54, 8.65s/it] 959it [2:15:02, 8.67s/it] 960it [2:15:11, 8.66s/it] 961it [2:15:20, 8.66s/it] 962it [2:15:28, 8.65s/it] 963it [2:15:37, 8.67s/it] 964it [2:15:46, 8.69s/it] 965it [2:15:54, 8.68s/it] 966it [2:16:03, 8.67s/it] 967it [2:16:12, 8.67s/it] 968it [2:16:20, 8.64s/it] 969it [2:16:29, 8.66s/it] 970it [2:16:38, 8.67s/it] 971it [2:16:46, 8.66s/it] 972it [2:16:55, 8.66s/it] 973it [2:17:04, 8.65s/it] 974it [2:17:12, 8.68s/it] 975it [2:17:21, 8.67s/it] 976it [2:17:30, 8.66s/it] 977it [2:17:38, 8.66s/it] 978it [2:17:47, 8.65s/it] 979it [2:17:56, 8.66s/it] 980it [2:18:04, 8.64s/it] 981it [2:18:13, 8.64s/it] 982it [2:18:21, 8.64s/it] 983it [2:18:30, 8.63s/it] 984it [2:18:39, 8.64s/it] 985it [2:18:47, 8.64s/it] 986it [2:18:56, 8.64s/it] 987it [2:19:05, 8.64s/it] 988it [2:19:13, 8.64s/it] 989it [2:19:22, 8.65s/it] 990it [2:19:31, 8.66s/it] 991it [2:19:39, 8.64s/it] 992it [2:19:48, 8.64s/it] 993it [2:19:56, 8.64s/it] 994it [2:20:05, 8.65s/it] 995it [2:20:14, 8.66s/it] 996it [2:20:23, 8.67s/it] 997it [2:20:31, 8.68s/it] 998it [2:20:40, 8.67s/it] 999it [2:20:49, 8.67s/it] 1000it [2:20:57, 8.69s/it] 1000it [2:20:57, 8.46s/it]
Error counts:
cyclic_id: 0
cyclic_inchikey: 0
cyclic_scaffold: 0
cyclic_mwt: 0
cyclic_clogp: 0
cyclic_tpsa: 0
⏰ Completed process in 2:21:16.221649
+ rm /nemo/lab/johnsone/home/users/johnsoe/data/datasets/cyc-pep-6-12mer-70M-2024/test/cyc-pep-6-12mer-70M_08.csv