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

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cyc-pep-6-12mer-70M-2024 / test /cyc-pep-6-12mer-70M_06.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_06.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_06.csv
++ zcat /nemo/lab/johnsone/home/users/johnsoe/data/datasets/rapid_6-12b/240425_rapid_6-12.tsv.gz
++ head -n1
+ awk -F, -v OFS=, '1 { print $8, $1, $2, $10, $3 }'
++ tr ' ' ,
+ schemist convert -f csv --column cysteine_to_N_cyclization --to id inchikey scaffold mwt clogp tpsa --prefix cyclic_ --options prefix=SCB-
+ gzip --best
🚀 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 0x7f71dbc6b240>
0it [00:00, ?it/s] 1it [00:07, 7.82s/it] 2it [00:15, 7.70s/it] 3it [00:22, 7.56s/it] 4it [00:30, 7.45s/it] 5it [00:37, 7.54s/it] 6it [00:45, 7.52s/it] 7it [00:52, 7.40s/it] 8it [00:59, 7.33s/it] 9it [01:07, 7.38s/it] 10it [01:14, 7.40s/it] 11it [01:21, 7.32s/it] 12it [01:28, 7.28s/it] 13it [01:36, 7.28s/it] 14it [01:43, 7.33s/it] 15it [01:50, 7.26s/it] 16it [01:57, 7.26s/it] 17it [02:05, 7.30s/it] 18it [02:13, 7.47s/it] 19it [02:20, 7.44s/it] 20it [02:27, 7.32s/it] 21it [02:34, 7.23s/it] 22it [02:42, 7.30s/it] 23it [02:49, 7.25s/it] 24it [02:56, 7.29s/it] 25it [03:03, 7.28s/it] 26it [03:11, 7.42s/it] 27it [03:19, 7.43s/it] 28it [03:26, 7.52s/it] 29it [03:34, 7.57s/it] 30it [03:43, 7.86s/it] 31it [03:51, 8.03s/it] 32it [03:59, 8.11s/it] 33it [04:07, 8.14s/it] 34it [04:16, 8.37s/it] 35it [04:25, 8.40s/it] 36it [04:33, 8.40s/it] 37it [04:42, 8.45s/it] 38it [04:51, 8.65s/it] 39it [05:00, 8.68s/it] 40it [05:08, 8.54s/it] 41it [05:16, 8.37s/it] 42it [05:24, 8.42s/it] 43it [05:33, 8.36s/it] 44it [05:41, 8.28s/it] 45it [05:49, 8.15s/it] 46it [05:56, 8.05s/it] 47it [06:04, 7.94s/it] 48it [06:12, 7.82s/it] 49it [06:19, 7.79s/it] 50it [06:27, 7.86s/it] 51it [06:35, 7.91s/it] 52it [06:43, 7.79s/it] 53it [06:50, 7.71s/it] 54it [06:58, 7.68s/it] 55it [07:06, 7.69s/it] 56it [07:13, 7.60s/it] 57it [07:21, 7.56s/it] 58it [07:28, 7.55s/it] 59it [07:36, 7.68s/it] 60it [07:44, 7.64s/it] 61it [07:51, 7.61s/it] 62it [07:59, 7.58s/it] 63it [08:07, 7.67s/it] 64it [08:14, 7.63s/it] 65it [08:22, 7.59s/it] 66it [08:29, 7.55s/it] 67it [08:37, 7.66s/it] 68it [08:45, 7.66s/it] 69it [08:51, 7.39s/it] 70it [08:58, 7.18s/it] 71it [09:05, 7.24s/it] 72it [09:12, 7.14s/it] 73it [09:19, 7.06s/it] 74it [09:26, 6.99s/it] 75it [09:34, 7.17s/it] 76it [09:41, 7.22s/it] 77it [09:48, 7.26s/it] 78it [09:56, 7.32s/it] 79it [10:04, 7.54s/it] 80it [10:12, 7.57s/it] 81it [10:19, 7.51s/it] 82it [10:26, 7.46s/it] 83it [10:34, 7.57s/it] 84it [10:42, 7.59s/it] 85it [10:49, 7.50s/it] 86it [10:56, 7.44s/it] 87it [11:04, 7.50s/it] 88it [11:11, 7.51s/it] 89it [11:19, 7.41s/it] 90it [11:26, 7.37s/it] 91it [11:33, 7.43s/it] 92it [11:41, 7.47s/it] 93it [11:48, 7.41s/it] 94it [11:56, 7.36s/it] 95it [12:03, 7.38s/it] 96it [12:11, 7.45s/it] 97it [12:18, 7.39s/it] 98it [12:25, 7.39s/it] 99it [12:33, 7.42s/it] 100it [12:40, 7.51s/it] 101it [12:48, 7.46s/it] 102it [12:55, 7.32s/it] 103it [13:02, 7.27s/it] 104it [13:09, 7.33s/it] 105it [13:17, 7.27s/it] 106it [13:24, 7.31s/it] 107it [13:31, 7.30s/it] 108it [13:39, 7.47s/it] 109it [13:47, 7.48s/it] 110it [13:54, 7.60s/it] 111it [14:02, 7.65s/it] 112it [14:11, 7.84s/it] 113it [14:19, 7.88s/it] 114it [14:26, 7.87s/it] 115it [14:34, 7.87s/it] 116it [14:43, 8.05s/it] 117it [14:51, 8.07s/it] 118it [14:59, 8.04s/it] 119it [15:07, 8.04s/it] 120it [15:15, 8.20s/it] 121it [15:24, 8.23s/it] 122it [15:32, 8.12s/it] 123it [15:39, 7.98s/it] 124it [15:47, 7.99s/it] 125it [15:55, 7.95s/it] 126it [16:02, 7.77s/it] 127it [16:10, 7.58s/it] 128it [16:17, 7.59s/it] 129it [16:25, 7.58s/it] 130it [16:32, 7.52s/it] 131it [16:40, 7.50s/it] 132it [16:47, 7.58s/it] 133it [16:55, 7.62s/it] 134it [17:02, 7.50s/it] 135it [17:09, 7.39s/it] 136it [17:17, 7.35s/it] 137it [17:24, 7.38s/it] 138it [17:31, 7.33s/it] 139it [17:39, 7.32s/it] 140it [17:46, 7.35s/it] 141it [17:54, 7.43s/it] 142it [18:01, 7.37s/it] 143it [18:08, 7.29s/it] 144it [18:15, 7.24s/it] 145it [18:23, 7.32s/it] 146it [18:30, 7.27s/it] 147it [18:37, 7.27s/it] 148it [18:44, 7.23s/it] 149it [18:52, 7.35s/it] 150it [18:59, 7.32s/it] 151it [19:06, 7.20s/it] 152it [19:13, 7.14s/it] 153it [19:20, 7.24s/it] 154it [19:28, 7.20s/it] 155it [19:35, 7.15s/it] 156it [19:42, 7.09s/it] 157it [19:49, 7.24s/it] 158it [19:56, 7.23s/it] 159it [20:04, 7.26s/it] 160it [20:11, 7.31s/it] 161it [20:19, 7.54s/it] 162it [20:27, 7.61s/it] 163it [20:34, 7.58s/it] 164it [20:42, 7.55s/it] 165it [20:50, 7.67s/it] 166it [20:57, 7.65s/it] 167it [21:05, 7.55s/it] 168it [21:12, 7.47s/it] 169it [21:20, 7.54s/it] 170it [21:27, 7.52s/it] 171it [21:34, 7.43s/it] 172it [21:42, 7.38s/it] 173it [21:49, 7.43s/it] 174it [21:57, 7.46s/it] 175it [22:04, 7.39s/it] 176it [22:11, 7.34s/it] 177it [22:19, 7.36s/it] 178it [22:26, 7.40s/it] 179it [22:33, 7.33s/it] 180it [22:41, 7.35s/it] 181it [22:48, 7.42s/it] 182it [22:56, 7.51s/it] 183it [23:03, 7.43s/it] 184it [23:10, 7.29s/it] 185it [23:17, 7.19s/it] 186it [23:25, 7.33s/it] 187it [23:32, 7.27s/it] 188it [23:39, 7.30s/it] 189it [23:47, 7.32s/it] 190it [23:54, 7.43s/it] 191it [24:02, 7.42s/it] 192it [24:10, 7.51s/it] 193it [24:18, 7.67s/it] 194it [24:26, 7.92s/it] 195it [24:34, 7.98s/it] 196it [24:42, 8.03s/it] 197it [24:50, 8.06s/it] 198it [24:59, 8.25s/it] 199it [25:08, 8.29s/it] 200it [25:16, 8.28s/it] 201it [25:24, 8.29s/it] 202it [25:33, 8.46s/it] 203it [25:42, 8.49s/it] 204it [25:50, 8.34s/it] 205it [25:57, 8.19s/it] 206it [26:06, 8.21s/it] 207it [26:14, 8.17s/it] 208it [26:21, 7.98s/it] 209it [26:29, 7.83s/it] 210it [26:37, 7.82s/it] 211it [26:44, 7.78s/it] 212it [26:52, 7.70s/it] 213it [26:59, 7.70s/it] 214it [27:07, 7.77s/it] 215it [27:15, 7.84s/it] 216it [27:23, 7.78s/it] 217it [27:30, 7.67s/it] 218it [27:38, 7.64s/it] 219it [27:46, 7.72s/it] 220it [27:54, 7.70s/it] 221it [28:01, 7.70s/it] 222it [28:09, 7.72s/it] 223it [28:17, 7.83s/it] 224it [28:25, 7.78s/it] 225it [28:32, 7.71s/it] 226it [28:40, 7.66s/it] 227it [28:48, 7.77s/it] 228it [28:56, 7.73s/it] 229it [29:03, 7.69s/it] 230it [29:11, 7.66s/it] 231it [29:19, 7.77s/it] 232it [29:26, 7.77s/it] 233it [29:33, 7.52s/it] 234it [29:40, 7.29s/it] 235it [29:48, 7.31s/it] 236it [29:55, 7.24s/it] 237it [30:02, 7.15s/it] 238it [30:08, 7.09s/it] 239it [30:16, 7.19s/it] 240it [30:23, 7.18s/it] 241it [30:30, 7.21s/it] 242it [30:38, 7.23s/it] 243it [30:45, 7.40s/it] 244it [30:53, 7.44s/it] 245it [31:00, 7.38s/it] 246it [31:08, 7.36s/it] 247it [31:15, 7.45s/it] 248it [31:23, 7.46s/it] 249it [31:30, 7.37s/it] 250it [31:37, 7.33s/it] 251it [31:45, 7.39s/it] 252it [31:52, 7.40s/it] 253it [31:59, 7.33s/it] 254it [32:06, 7.27s/it] 255it [32:14, 7.28s/it] 256it [32:21, 7.32s/it] 257it [32:28, 7.24s/it] 258it [32:35, 7.16s/it] 259it [32:42, 7.15s/it] 260it [32:50, 7.21s/it] 261it [32:57, 7.15s/it] 262it [33:04, 7.12s/it] 263it [33:11, 7.14s/it] 264it [33:18, 7.29s/it] 265it [33:26, 7.25s/it] 266it [33:32, 7.12s/it] 267it [33:39, 7.03s/it] 268it [33:47, 7.13s/it] 269it [33:54, 7.12s/it] 270it [34:01, 7.14s/it] 271it [34:08, 7.12s/it] 272it [34:16, 7.30s/it] 273it [34:23, 7.30s/it] 274it [34:31, 7.39s/it] 275it [34:38, 7.44s/it] 276it [34:46, 7.63s/it] 277it [34:54, 7.69s/it] 278it [35:02, 7.68s/it] 279it [35:09, 7.66s/it] 280it [35:17, 7.81s/it] 281it [35:25, 7.86s/it] 282it [35:33, 7.81s/it] 283it [35:41, 7.79s/it] 284it [35:49, 7.90s/it] 285it [35:57, 7.93s/it] 286it [36:05, 7.82s/it] 287it [36:12, 7.70s/it] 288it [36:20, 7.71s/it] 289it [36:27, 7.69s/it] 290it [36:35, 7.55s/it] 291it [36:42, 7.44s/it] 292it [36:49, 7.41s/it] 293it [36:57, 7.43s/it] 294it [37:04, 7.36s/it] 295it [37:11, 7.37s/it] 296it [37:19, 7.40s/it] 297it [37:26, 7.50s/it] 298it [37:34, 7.44s/it] 299it [37:41, 7.37s/it] 300it [37:48, 7.32s/it] 301it [37:56, 7.41s/it] 302it [38:03, 7.35s/it] 303it [38:10, 7.32s/it] 304it [38:18, 7.33s/it] 305it [38:25, 7.44s/it] 306it [38:33, 7.43s/it] 307it [38:40, 7.34s/it] 308it [38:47, 7.32s/it] 309it [38:55, 7.44s/it] 310it [39:02, 7.43s/it] 311it [39:09, 7.39s/it] 312it [39:17, 7.35s/it] 313it [39:25, 7.51s/it] 314it [39:32, 7.48s/it] 315it [39:39, 7.35s/it] 316it [39:46, 7.22s/it] 317it [39:53, 7.28s/it] 318it [40:00, 7.23s/it] 319it [40:07, 7.16s/it] 320it [40:14, 7.12s/it] 321it [40:22, 7.22s/it] 322it [40:29, 7.22s/it] 323it [40:37, 7.26s/it] 324it [40:44, 7.33s/it] 325it [40:52, 7.46s/it] 326it [40:59, 7.53s/it] 327it [41:07, 7.47s/it] 328it [41:14, 7.46s/it] 329it [41:22, 7.50s/it] 330it [41:30, 7.57s/it] 331it [41:37, 7.48s/it] 332it [41:44, 7.44s/it] 333it [41:52, 7.44s/it] 334it [41:59, 7.51s/it] 335it [42:07, 7.46s/it] 336it [42:14, 7.40s/it] 337it [42:21, 7.34s/it] 338it [42:29, 7.43s/it] 339it [42:36, 7.37s/it] 340it [42:43, 7.29s/it] 341it [42:50, 7.24s/it] 342it [42:58, 7.35s/it] 343it [43:05, 7.29s/it] 344it [43:12, 7.29s/it] 345it [43:20, 7.28s/it] 346it [43:27, 7.41s/it] 347it [43:35, 7.42s/it] 348it [43:42, 7.28s/it] 349it [43:49, 7.18s/it] 350it [43:56, 7.28s/it] 351it [44:03, 7.24s/it] 352it [44:10, 7.22s/it] 353it [44:18, 7.24s/it] 354it [44:25, 7.40s/it] 355it [44:33, 7.43s/it] 356it [44:41, 7.50s/it] 357it [44:48, 7.58s/it] 358it [44:57, 7.79s/it] 359it [45:05, 7.84s/it] 360it [45:12, 7.84s/it] 361it [45:20, 7.85s/it] 362it [45:29, 7.98s/it] 363it [45:37, 8.01s/it] 364it [45:45, 8.00s/it] 365it [45:53, 7.99s/it] 366it [46:01, 8.09s/it] 367it [46:09, 8.17s/it] 368it [46:17, 8.06s/it] 369it [46:25, 7.94s/it] 370it [46:33, 7.93s/it] 371it [46:41, 7.94s/it] 372it [46:48, 7.81s/it] 373it [46:56, 7.69s/it] 374it [47:03, 7.64s/it] 375it [47:11, 7.66s/it] 376it [47:18, 7.63s/it] 377it [47:26, 7.65s/it] 378it [47:34, 7.69s/it] 379it [47:42, 7.84s/it] 380it [47:50, 7.80s/it] 381it [47:57, 7.68s/it] 382it [48:04, 7.58s/it] 383it [48:12, 7.65s/it] 384it [48:20, 7.62s/it] 385it [48:27, 7.56s/it] 386it [48:35, 7.52s/it] 387it [48:43, 7.66s/it] 388it [48:50, 7.64s/it] 389it [48:58, 7.57s/it] 390it [49:05, 7.48s/it] 391it [49:13, 7.61s/it] 392it [49:20, 7.58s/it] 393it [49:28, 7.54s/it] 394it [49:35, 7.49s/it] 395it [49:43, 7.64s/it] 396it [49:51, 7.62s/it] 397it [49:58, 7.42s/it] 398it [50:05, 7.24s/it] 399it [50:12, 7.24s/it] 400it [50:19, 7.16s/it] 401it [50:26, 7.08s/it] 402it [50:33, 7.02s/it] 403it [50:40, 7.10s/it] 404it [50:47, 7.11s/it] 405it [50:54, 7.11s/it] 406it [51:01, 7.17s/it] 407it [51:09, 7.30s/it] 408it [51:17, 7.37s/it] 409it [51:24, 7.34s/it] 410it [51:31, 7.30s/it] 411it [51:38, 7.36s/it] 412it [51:46, 7.41s/it] 413it [51:53, 7.33s/it] 414it [52:00, 7.28s/it] 415it [52:08, 7.28s/it] 416it [52:15, 7.36s/it] 417it [52:22, 7.28s/it] 418it [52:29, 7.22s/it] 419it [52:36, 7.20s/it] 420it [52:44, 7.26s/it] 421it [52:51, 7.22s/it] 422it [52:58, 7.14s/it] 423it [53:05, 7.09s/it] 424it [53:12, 7.19s/it] 425it [53:19, 7.15s/it] 426it [53:27, 7.14s/it] 427it [53:34, 7.14s/it] 428it [53:41, 7.25s/it] 429it [53:48, 7.24s/it] 430it [53:55, 7.10s/it] 431it [54:02, 7.02s/it] 432it [54:09, 7.09s/it] 433it [54:16, 7.04s/it] 434it [54:23, 7.07s/it] 435it [54:30, 7.06s/it] 436it [54:38, 7.25s/it] 437it [54:45, 7.26s/it] 438it [54:53, 7.35s/it] 439it [55:00, 7.40s/it] 440it [55:08, 7.60s/it] 441it [55:16, 7.66s/it] 442it [55:24, 7.67s/it] 443it [55:32, 7.66s/it] 444it [55:40, 7.82s/it] 445it [55:48, 7.84s/it] 446it [55:56, 7.85s/it] 447it [56:03, 7.84s/it] 448it [56:12, 8.00s/it] 449it [56:20, 8.00s/it] 450it [56:27, 7.88s/it] 451it [56:35, 7.74s/it] 452it [56:43, 7.76s/it] 453it [56:50, 7.72s/it] 454it [56:57, 7.58s/it] 455it [57:05, 7.47s/it] 456it [57:12, 7.48s/it] 457it [57:20, 7.47s/it] 458it [57:27, 7.41s/it] 459it [57:34, 7.42s/it] 460it [57:42, 7.49s/it] 461it [57:50, 7.57s/it] 462it [57:57, 7.51s/it] 463it [58:04, 7.45s/it] 464it [58:12, 7.42s/it] 465it [58:19, 7.47s/it] 466it [58:26, 7.38s/it] 467it [58:34, 7.35s/it] 468it [58:41, 7.36s/it] 469it [58:49, 7.46s/it] 470it [58:56, 7.42s/it] 471it [59:03, 7.34s/it] 472it [59:10, 7.29s/it] 473it [59:18, 7.37s/it] 474it [59:25, 7.30s/it] 475it [59:32, 7.25s/it] 476it [59:39, 7.18s/it] 477it [59:47, 7.32s/it] 478it [59:54, 7.34s/it] 479it [1:00:01, 7.18s/it] 480it [1:00:08, 7.07s/it] 481it [1:00:15, 7.15s/it] 482it [1:00:22, 7.11s/it] 483it [1:00:29, 7.07s/it] 484it [1:00:36, 7.01s/it] 485it [1:00:44, 7.13s/it] 486it [1:00:51, 7.13s/it] 487it [1:00:58, 7.15s/it] 488it [1:01:05, 7.19s/it] 489it [1:01:13, 7.36s/it] 490it [1:01:20, 7.39s/it] 491it [1:01:28, 7.34s/it] 492it [1:01:35, 7.29s/it] 493it [1:01:42, 7.39s/it] 494it [1:01:50, 7.39s/it] 495it [1:01:57, 7.33s/it] 496it [1:02:04, 7.28s/it] 497it [1:02:12, 7.33s/it] 498it [1:02:19, 7.35s/it] 499it [1:02:26, 7.28s/it] 500it [1:02:33, 7.24s/it] 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7.79s/it] 923it [1:57:49, 7.68s/it] 924it [1:57:57, 7.75s/it] 925it [1:58:05, 7.71s/it] 926it [1:58:13, 7.72s/it] 927it [1:58:20, 7.72s/it] 928it [1:58:28, 7.88s/it] 929it [1:58:36, 7.88s/it] 930it [1:58:45, 7.97s/it] 931it [1:58:53, 8.04s/it] 932it [1:59:01, 8.24s/it] 933it [1:59:10, 8.30s/it] 934it [1:59:18, 8.29s/it] 935it [1:59:26, 8.29s/it] 936it [1:59:35, 8.44s/it] 937it [1:59:44, 8.47s/it] 938it [1:59:52, 8.44s/it] 939it [2:00:01, 8.45s/it] 940it [2:00:10, 8.59s/it] 941it [2:00:18, 8.62s/it] 942it [2:00:26, 8.50s/it] 943it [2:00:34, 8.36s/it] 944it [2:00:43, 8.35s/it] 945it [2:00:51, 8.34s/it] 946it [2:00:59, 8.21s/it] 947it [2:01:07, 8.09s/it] 948it [2:01:15, 8.10s/it] 949it [2:01:23, 8.08s/it] 950it [2:01:31, 8.01s/it] 951it [2:01:39, 8.01s/it] 952it [2:01:47, 8.08s/it] 953it [2:01:56, 8.19s/it] 954it [2:02:03, 8.11s/it] 955it [2:02:11, 8.03s/it] 956it [2:02:19, 7.97s/it] 957it [2:02:27, 8.03s/it] 958it [2:02:35, 7.96s/it] 959it [2:02:43, 7.94s/it] 960it [2:02:51, 7.92s/it] 961it [2:02:59, 8.03s/it] 962it [2:03:07, 8.01s/it] 963it [2:03:15, 7.92s/it] 964it [2:03:22, 7.84s/it] 965it [2:03:31, 7.96s/it] 966it [2:03:39, 7.94s/it] 967it [2:03:46, 7.88s/it] 968it [2:03:54, 7.81s/it] 969it [2:04:02, 7.94s/it] 970it [2:04:10, 7.94s/it] 971it [2:04:18, 7.76s/it] 972it [2:04:25, 7.60s/it] 973it [2:04:32, 7.64s/it] 974it [2:04:40, 7.59s/it] 975it [2:04:47, 7.52s/it] 976it [2:04:55, 7.47s/it] 977it [2:05:02, 7.57s/it] 978it [2:05:10, 7.55s/it] 979it [2:05:18, 7.56s/it] 980it [2:05:25, 7.61s/it] 981it [2:05:33, 7.77s/it] 982it [2:05:41, 7.84s/it] 983it [2:05:49, 7.80s/it] 984it [2:05:57, 7.75s/it] 985it [2:06:05, 7.82s/it] 986it [2:06:13, 7.86s/it] 987it [2:06:20, 7.80s/it] 988it [2:06:28, 7.75s/it] 989it [2:06:36, 7.78s/it] 990it [2:06:44, 7.82s/it] 991it [2:06:51, 7.74s/it] 992it [2:06:59, 7.72s/it] 993it [2:07:07, 7.76s/it] 994it [2:07:15, 7.83s/it] 995it [2:07:22, 7.78s/it] 996it [2:07:30, 7.71s/it] 997it [2:07:38, 7.68s/it] 998it [2:07:46, 7.78s/it] 999it [2:07:53, 7.73s/it] 1000it [2:08:01, 7.75s/it] 1000it [2:08:01, 7.68s/it]
Error counts:
cyclic_id: 0
cyclic_inchikey: 0
cyclic_scaffold: 0
cyclic_mwt: 0
cyclic_clogp: 0
cyclic_tpsa: 0
⏰ Completed process in 2:08:19.491369
+ rm /nemo/lab/johnsone/home/users/johnsoe/data/datasets/cyc-pep-6-12mer-70M-2024/test/cyc-pep-6-12mer-70M_06.csv