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

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cyc-pep-6-12mer-70M-2024 / validation /cyc-pep-6-12mer-70M_08.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/validation/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/validation/cyc-pep-6-12mer-70M_08.csv
++ zcat /nemo/lab/johnsone/home/users/johnsoe/data/datasets/rapid_6-12b/240425_rapid_6-12.tsv.gz
+ gzip --best
+ schemist convert -f csv --column cysteine_to_N_cyclization --to id inchikey scaffold mwt clogp tpsa --prefix cyclic_ --options prefix=SCB-
++ tr ' ' ,
++ head -n1
🚀 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 0x7f5a4cd37240>
0it [00:00, ?it/s] 1it [00:08, 8.18s/it] 2it [00:16, 8.49s/it] 3it [00:25, 8.45s/it] 4it [00:33, 8.27s/it] 5it [00:41, 8.13s/it] 6it [00:49, 8.24s/it] 7it [00:57, 8.19s/it] 8it [01:05, 8.12s/it] 9it [01:13, 8.04s/it] 10it [01:21, 8.16s/it] 11it [01:30, 8.19s/it] 12it [01:38, 8.12s/it] 13it [01:46, 8.03s/it] 14it [01:54, 8.12s/it] 15it [02:02, 8.09s/it] 16it [02:10, 8.05s/it] 17it [02:18, 8.01s/it] 18it [02:26, 8.13s/it] 19it [02:34, 8.19s/it] 20it [02:42, 8.03s/it] 21it [02:50, 7.89s/it] 22it [02:58, 7.93s/it] 23it [03:05, 7.88s/it] 24it [03:13, 7.81s/it] 25it [03:21, 7.74s/it] 26it [03:29, 7.81s/it] 27it [03:36, 7.80s/it] 28it [03:44, 7.79s/it] 29it [03:52, 7.83s/it] 30it [04:01, 8.01s/it] 31it [04:09, 8.07s/it] 32it [04:17, 8.02s/it] 33it [04:25, 7.99s/it] 34it [04:33, 8.05s/it] 35it [04:41, 8.08s/it] 36it [04:49, 8.01s/it] 37it [04:57, 7.96s/it] 38it [05:05, 8.02s/it] 39it [05:13, 8.05s/it] 40it [05:21, 7.95s/it] 41it [05:28, 7.89s/it] 42it [05:36, 7.93s/it] 43it [05:44, 7.97s/it] 44it [05:52, 7.90s/it] 45it [06:00, 7.83s/it] 46it [06:08, 7.85s/it] 47it [06:16, 7.90s/it] 48it [06:23, 7.83s/it] 49it [06:31, 7.85s/it] 50it [06:39, 7.92s/it] 51it [06:48, 8.01s/it] 52it [06:55, 7.95s/it] 53it [07:03, 7.82s/it] 54it [07:11, 7.76s/it] 55it [07:19, 7.82s/it] 56it [07:26, 7.77s/it] 57it [07:34, 7.82s/it] 58it [07:42, 7.86s/it] 59it [07:50, 7.98s/it] 60it [07:58, 7.99s/it] 61it [08:07, 8.12s/it] 62it [08:15, 8.21s/it] 63it [08:24, 8.40s/it] 64it [08:33, 8.43s/it] 65it [08:41, 8.45s/it] 66it [08:50, 8.50s/it] 67it [08:59, 8.64s/it] 68it [09:07, 8.62s/it] 69it [09:16, 8.63s/it] 70it [09:25, 8.64s/it] 71it [09:34, 8.80s/it] 72it [09:43, 8.79s/it] 73it [09:51, 8.61s/it] 74it [09:59, 8.48s/it] 75it [10:07, 8.53s/it] 76it [10:16, 8.48s/it] 77it [10:24, 8.32s/it] 78it [10:32, 8.19s/it] 79it [10:40, 8.27s/it] 80it [10:48, 8.22s/it] 81it [10:56, 8.21s/it] 82it [11:05, 8.19s/it] 83it [11:13, 8.34s/it] 84it [11:22, 8.35s/it] 85it [11:30, 8.23s/it] 86it [11:37, 8.13s/it] 87it [11:46, 8.23s/it] 88it [11:54, 8.20s/it] 89it [12:02, 8.10s/it] 90it [12:10, 8.05s/it] 91it [12:18, 8.18s/it] 92it [12:27, 8.18s/it] 93it [12:34, 8.10s/it] 94it [12:42, 8.01s/it] 95it [12:51, 8.13s/it] 96it [12:59, 8.11s/it] 97it [13:07, 8.05s/it] 98it [13:15, 8.01s/it] 99it [13:23, 8.15s/it] 100it [13:31, 8.14s/it] 101it [13:40, 8.38s/it] 102it [13:49, 8.58s/it] 103it [13:58, 8.71s/it] 104it [14:07, 8.78s/it] 105it [14:16, 8.87s/it] 106it [14:25, 8.91s/it] 107it [14:34, 8.93s/it] 108it [14:43, 8.98s/it] 109it [14:52, 8.99s/it] 110it [15:01, 9.02s/it] 111it [15:10, 9.05s/it] 112it [15:20, 9.05s/it] 113it [15:29, 9.03s/it] 114it [15:38, 9.04s/it] 115it [15:47, 9.02s/it] 116it [15:56, 9.03s/it] 117it [16:05, 9.04s/it] 118it [16:14, 9.03s/it] 119it [16:23, 9.02s/it] 120it [16:32, 9.03s/it] 121it [16:41, 9.04s/it] 122it [16:50, 9.02s/it] 123it [16:59, 9.04s/it] 124it [17:08, 9.00s/it] 125it [17:17, 9.00s/it] 126it [17:26, 8.99s/it] 127it [17:35, 8.97s/it] 128it [17:44, 8.94s/it] 129it [17:52, 8.92s/it] 130it [18:01, 8.91s/it] 131it [18:10, 8.91s/it] 132it [18:19, 8.93s/it] 133it [18:28, 8.92s/it] 134it [18:37, 8.90s/it] 135it [18:46, 8.90s/it] 136it [18:55, 8.91s/it] 137it [19:04, 8.92s/it] 138it [19:13, 8.93s/it] 139it [19:21, 8.89s/it] 140it [19:30, 8.86s/it] 141it [19:39, 8.82s/it] 142it [19:48, 8.83s/it] 143it [19:57, 8.84s/it] 144it [20:06, 8.87s/it] 145it [20:15, 8.89s/it] 146it [20:23, 8.86s/it] 147it [20:32, 8.87s/it] 148it [20:41, 8.85s/it] 149it [20:50, 8.87s/it] 150it [20:59, 8.85s/it] 151it [21:08, 8.87s/it] 152it [21:16, 8.85s/it] 153it [21:25, 8.83s/it] 154it [21:34, 8.80s/it] 155it [21:43, 8.80s/it] 156it [21:52, 8.79s/it] 157it [22:00, 8.80s/it] 158it [22:09, 8.81s/it] 159it [22:18, 8.81s/it] 160it [22:27, 8.80s/it] 161it [22:36, 8.80s/it] 162it [22:44, 8.78s/it] 163it [22:53, 8.80s/it] 164it [23:02, 8.81s/it] 165it [23:11, 8.81s/it] 166it [23:20, 8.80s/it] 167it [23:28, 8.78s/it] 168it [23:37, 8.77s/it] 169it [23:46, 8.78s/it] 170it [23:55, 8.79s/it] 171it [24:03, 8.77s/it] 172it [24:12, 8.76s/it] 173it [24:21, 8.74s/it] 174it [24:30, 8.74s/it] 175it [24:38, 8.73s/it] 176it [24:47, 8.77s/it] 177it [24:56, 8.77s/it] 178it [25:05, 8.78s/it] 179it [25:13, 8.77s/it] 180it [25:22, 8.78s/it] 181it [25:31, 8.78s/it] 182it [25:40, 8.78s/it] 183it [25:49, 8.80s/it] 184it [25:57, 8.79s/it] 185it [26:06, 8.78s/it] 186it [26:15, 8.75s/it] 187it [26:24, 8.76s/it] 188it [26:33, 8.79s/it] 189it [26:41, 8.81s/it] 190it [26:50, 8.81s/it] 191it [26:59, 8.80s/it] 192it [27:08, 8.79s/it] 193it [27:17, 8.80s/it] 194it [27:25, 8.78s/it] 195it [27:34, 8.81s/it] 196it [27:43, 8.81s/it] 197it [27:52, 8.80s/it] 198it [28:00, 8.77s/it] 199it [28:09, 8.77s/it] 200it [28:18, 8.79s/it] 201it [28:27, 8.79s/it] 202it [28:36, 8.81s/it] 203it [28:44, 8.77s/it] 204it [28:53, 8.75s/it] 205it [29:02, 8.73s/it] 206it [29:10, 8.72s/it] 207it [29:19, 8.71s/it] 208it [29:28, 8.70s/it] 209it [29:37, 8.70s/it] 210it [29:45, 8.71s/it] 211it [29:54, 8.70s/it] 212it [30:03, 8.71s/it] 213it [30:11, 8.70s/it] 214it [30:20, 8.70s/it] 215it [30:29, 8.70s/it] 216it [30:37, 8.70s/it] 217it [30:46, 8.69s/it] 218it [30:55, 8.70s/it] 219it [31:04, 8.71s/it] 220it [31:12, 8.72s/it] 221it [31:21, 8.73s/it] 222it [31:30, 8.75s/it] 223it [31:39, 8.74s/it] 224it [31:47, 8.73s/it] 225it [31:56, 8.71s/it] 226it [32:05, 8.73s/it] 227it [32:13, 8.72s/it] 228it [32:22, 8.73s/it] 229it [32:31, 8.73s/it] 230it [32:40, 8.72s/it] 231it [32:48, 8.70s/it] 232it [32:57, 8.72s/it] 233it [33:06, 8.72s/it] 234it [33:15, 8.75s/it] 235it [33:23, 8.75s/it] 236it [33:32, 8.74s/it] 237it [33:41, 8.75s/it] 238it [33:50, 8.73s/it] 239it [33:58, 8.73s/it] 240it [34:07, 8.73s/it] 241it [34:16, 8.76s/it] 242it [34:25, 8.76s/it] 243it [34:33, 8.78s/it] 244it [34:42, 8.75s/it] 245it [34:51, 8.76s/it] 246it [35:00, 8.76s/it] 247it [35:08, 8.77s/it] 248it [35:17, 8.75s/it] 249it [35:26, 8.74s/it] 250it [35:34, 8.72s/it] 251it [35:43, 8.73s/it] 252it [35:52, 8.74s/it] 253it [36:01, 8.75s/it] 254it [36:10, 8.74s/it] 255it [36:18, 8.75s/it] 256it [36:27, 8.75s/it] 257it [36:36, 8.74s/it] 258it [36:45, 8.75s/it] 259it [36:53, 8.74s/it] 260it [37:02, 8.74s/it] 261it [37:11, 8.74s/it] 262it [37:19, 8.74s/it] 263it [37:28, 8.73s/it] 264it [37:37, 8.75s/it] 265it [37:46, 8.76s/it] 266it [37:55, 8.78s/it] 267it [38:03, 8.80s/it] 268it [38:12, 8.78s/it] 269it [38:21, 8.76s/it] 270it [38:30, 8.77s/it] 271it [38:38, 8.75s/it] 272it [38:47, 8.75s/it] 273it [38:56, 8.74s/it] 274it [39:05, 8.73s/it] 275it [39:13, 8.72s/it] 276it [39:22, 8.70s/it] 277it [39:31, 8.71s/it] 278it [39:39, 8.72s/it] 279it [39:48, 8.71s/it] 280it [39:57, 8.70s/it] 281it [40:05, 8.69s/it] 282it [40:14, 8.66s/it] 283it [40:23, 8.69s/it] 284it [40:31, 8.68s/it] 285it [40:40, 8.71s/it] 286it [40:49, 8.70s/it] 287it [40:58, 8.70s/it] 288it [41:06, 8.68s/it] 289it [41:15, 8.70s/it] 290it [41:24, 8.68s/it] 291it [41:32, 8.68s/it] 292it [41:41, 8.66s/it] 293it [41:50, 8.67s/it] 294it [41:58, 8.67s/it] 295it [42:07, 8.69s/it] 296it [42:16, 8.67s/it] 297it [42:24, 8.67s/it] 298it [42:33, 8.68s/it] 299it [42:42, 8.67s/it] 300it [42:50, 8.69s/it] 301it [42:59, 8.68s/it] 302it [43:08, 8.66s/it] 303it [43:16, 8.66s/it] 304it [43:25, 8.67s/it] 305it [43:34, 8.66s/it] 306it [43:42, 8.68s/it] 307it [43:51, 8.68s/it] 308it [44:00, 8.68s/it] 309it [44:08, 8.69s/it] 310it [44:17, 8.68s/it] 311it [44:26, 8.67s/it] 312it [44:34, 8.68s/it] 313it [44:43, 8.69s/it] 314it [44:52, 8.69s/it] 315it [45:00, 8.69s/it] 316it [45:09, 8.66s/it] 317it [45:18, 8.66s/it] 318it [45:26, 8.68s/it] 319it [45:35, 8.67s/it] 320it [45:44, 8.69s/it] 321it [45:52, 8.68s/it] 322it [46:01, 8.66s/it] 323it [46:10, 8.66s/it] 324it [46:18, 8.67s/it] 325it [46:27, 8.70s/it] 326it [46:36, 8.70s/it] 327it [46:45, 8.68s/it] 328it [46:53, 8.69s/it] 329it [47:02, 8.68s/it] 330it [47:11, 8.68s/it] 331it [47:19, 8.69s/it] 332it [47:28, 8.70s/it] 333it [47:37, 8.69s/it] 334it [47:45, 8.68s/it] 335it [47:54, 8.68s/it] 336it [48:03, 8.68s/it] 337it [48:11, 8.68s/it] 338it [48:20, 8.70s/it] 339it [48:29, 8.69s/it] 340it [48:37, 8.68s/it] 341it [48:46, 8.68s/it] 342it [48:55, 8.68s/it] 343it [49:04, 8.68s/it] 344it [49:12, 8.67s/it] 345it [49:21, 8.68s/it] 346it [49:29, 8.66s/it] 347it [49:38, 8.69s/it] 348it [49:47, 8.66s/it] 349it [49:55, 8.66s/it] 350it [50:04, 8.67s/it] 351it [50:13, 8.69s/it] 352it [50:22, 8.70s/it] 353it [50:30, 8.71s/it] 354it [50:39, 8.70s/it] 355it [50:48, 8.70s/it] 356it [50:56, 8.69s/it] 357it [51:05, 8.71s/it] 358it [51:14, 8.72s/it] 359it [51:23, 8.71s/it] 360it [51:31, 8.70s/it] 361it [51:40, 8.69s/it] 362it [51:49, 8.67s/it] 363it [51:57, 8.67s/it] 364it [52:06, 8.67s/it] 365it [52:15, 8.69s/it] 366it [52:23, 8.69s/it] 367it [52:32, 8.67s/it] 368it [52:41, 8.67s/it] 369it [52:49, 8.66s/it] 370it [52:58, 8.68s/it] 371it [53:07, 8.66s/it] 372it [53:15, 8.66s/it] 373it [53:24, 8.65s/it] 374it [53:33, 8.65s/it] 375it [53:41, 8.65s/it] 376it [53:50, 8.66s/it] 377it [53:59, 8.64s/it] 378it [54:07, 8.67s/it] 379it [54:16, 8.65s/it] 380it [54:25, 8.65s/it] 381it [54:33, 8.64s/it] 382it [54:42, 8.67s/it] 383it [54:51, 8.68s/it] 384it [54:59, 8.69s/it] 385it [55:08, 8.68s/it] 386it [55:17, 8.66s/it] 387it [55:25, 8.66s/it] 388it [55:34, 8.66s/it] 389it [55:43, 8.66s/it] 390it [55:51, 8.65s/it] 391it [56:00, 8.65s/it] 392it [56:08, 8.63s/it] 393it [56:17, 8.64s/it] 394it [56:26, 8.65s/it] 395it [56:34, 8.66s/it] 396it [56:43, 8.66s/it] 397it [56:52, 8.69s/it] 398it [57:01, 8.69s/it] 399it [57:09, 8.70s/it] 400it [57:18, 8.70s/it] 401it [57:27, 8.74s/it] 402it [57:36, 8.75s/it] 403it [57:44, 8.77s/it] 404it [57:53, 8.79s/it] 405it [58:02, 8.79s/it] 406it [58:11, 8.80s/it] 407it [58:20, 8.85s/it] 408it [58:29, 8.84s/it] 409it [58:37, 8.84s/it] 410it [58:46, 8.85s/it] 411it [58:55, 8.85s/it] 412it [59:04, 8.85s/it] 413it [59:13, 8.85s/it] 414it [59:22, 8.84s/it] 415it [59:31, 8.85s/it] 416it [59:39, 8.83s/it] 417it [59:48, 8.82s/it] 418it [59:57, 8.81s/it] 419it [1:00:06, 8.81s/it] 420it [1:00:15, 8.81s/it] 421it [1:00:23, 8.84s/it] 422it [1:00:32, 8.82s/it] 423it [1:00:41, 8.83s/it] 424it [1:00:50, 8.82s/it] 425it [1:00:59, 8.83s/it] 426it [1:01:08, 8.82s/it] 427it [1:01:16, 8.84s/it] 428it [1:01:25, 8.85s/it] 429it [1:01:34, 8.86s/it] 430it [1:01:43, 8.84s/it] 431it [1:01:52, 8.83s/it] 432it [1:02:01, 8.82s/it] 433it [1:02:09, 8.83s/it] 434it [1:02:18, 8.84s/it] 435it [1:02:27, 8.84s/it] 436it [1:02:36, 8.82s/it] 437it [1:02:45, 8.80s/it] 438it [1:02:53, 8.80s/it] 439it [1:03:02, 8.80s/it] 440it [1:03:11, 8.81s/it] 441it [1:03:20, 8.80s/it] 442it [1:03:29, 8.81s/it] 443it [1:03:38, 8.82s/it] 444it [1:03:46, 8.82s/it] 445it [1:03:55, 8.84s/it] 446it [1:04:04, 8.83s/it] 447it [1:04:13, 8.83s/it] 448it [1:04:22, 8.82s/it] 449it [1:04:30, 8.83s/it] 450it [1:04:39, 8.83s/it] 451it [1:04:48, 8.82s/it] 452it [1:04:57, 8.83s/it] 453it [1:05:06, 8.85s/it] 454it [1:05:15, 8.86s/it] 455it [1:05:24, 8.86s/it] 456it [1:05:32, 8.85s/it] 457it [1:05:41, 8.84s/it] 458it [1:05:50, 8.83s/it] 459it [1:05:59, 8.83s/it] 460it [1:06:08, 8.82s/it] 461it [1:06:17, 8.83s/it] 462it [1:06:25, 8.82s/it] 463it [1:06:34, 8.82s/it] 464it [1:06:43, 8.82s/it] 465it [1:06:52, 8.84s/it] 466it [1:07:01, 8.83s/it] 467it [1:07:09, 8.80s/it] 468it [1:07:18, 8.79s/it] 469it [1:07:27, 8.78s/it] 470it [1:07:36, 8.80s/it] 471it [1:07:45, 8.80s/it] 472it [1:07:53, 8.80s/it] 473it [1:08:02, 8.82s/it] 474it [1:08:11, 8.83s/it] 475it [1:08:20, 8.83s/it] 476it [1:08:29, 8.84s/it] 477it [1:08:38, 8.86s/it] 478it [1:08:47, 8.90s/it] 479it [1:08:56, 8.90s/it] 480it [1:09:04, 8.89s/it] 481it [1:09:13, 8.88s/it] 482it [1:09:22, 8.89s/it] 483it [1:09:31, 8.91s/it] 484it [1:09:40, 8.91s/it] 485it [1:09:49, 8.90s/it] 486it [1:09:58, 8.88s/it] 487it [1:10:07, 8.87s/it] 488it [1:10:15, 8.85s/it] 489it [1:10:24, 8.84s/it] 490it [1:10:33, 8.86s/it] 491it [1:10:42, 8.88s/it] 492it [1:10:51, 8.88s/it] 493it [1:11:00, 8.87s/it] 494it [1:11:09, 8.86s/it] 495it [1:11:18, 8.87s/it] 496it 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918it [2:12:51, 8.69s/it] 919it [2:12:59, 8.69s/it] 920it [2:13:08, 8.68s/it] 921it [2:13:17, 8.69s/it] 922it [2:13:25, 8.67s/it] 923it [2:13:34, 8.66s/it] 924it [2:13:43, 8.68s/it] 925it [2:13:51, 8.66s/it] 926it [2:14:00, 8.68s/it] 927it [2:14:09, 8.66s/it] 928it [2:14:17, 8.66s/it] 929it [2:14:26, 8.69s/it] 930it [2:14:35, 8.69s/it] 931it [2:14:43, 8.67s/it] 932it [2:14:52, 8.67s/it] 933it [2:15:01, 8.67s/it] 934it [2:15:09, 8.67s/it] 935it [2:15:18, 8.66s/it] 936it [2:15:27, 8.67s/it] 937it [2:15:35, 8.68s/it] 938it [2:15:44, 8.67s/it] 939it [2:15:53, 8.69s/it] 940it [2:16:01, 8.68s/it] 941it [2:16:10, 8.67s/it] 942it [2:16:19, 8.68s/it] 943it [2:16:27, 8.67s/it] 944it [2:16:36, 8.67s/it] 945it [2:16:45, 8.65s/it] 946it [2:16:53, 8.65s/it] 947it [2:17:02, 8.66s/it] 948it [2:17:11, 8.66s/it] 949it [2:17:19, 8.65s/it] 950it [2:17:28, 8.67s/it] 951it [2:17:37, 8.68s/it] 952it [2:17:45, 8.68s/it] 953it [2:17:54, 8.66s/it] 954it [2:18:03, 8.66s/it] 955it [2:18:11, 8.67s/it] 956it [2:18:20, 8.66s/it] 957it [2:18:29, 8.67s/it] 958it [2:18:37, 8.68s/it] 959it [2:18:46, 8.68s/it] 960it [2:18:55, 8.69s/it] 961it [2:19:03, 8.67s/it] 962it [2:19:12, 8.67s/it] 963it [2:19:21, 8.68s/it] 964it [2:19:30, 8.69s/it] 965it [2:19:38, 8.69s/it] 966it [2:19:47, 8.68s/it] 967it [2:19:56, 8.70s/it] 968it [2:20:04, 8.69s/it] 969it [2:20:13, 8.67s/it] 970it [2:20:22, 8.66s/it] 971it [2:20:30, 8.66s/it] 972it [2:20:39, 8.67s/it] 973it [2:20:48, 8.69s/it] 974it [2:20:56, 8.67s/it] 975it [2:21:05, 8.67s/it] 976it [2:21:14, 8.67s/it] 977it [2:21:22, 8.66s/it] 978it [2:21:31, 8.67s/it] 979it [2:21:40, 8.66s/it] 980it [2:21:48, 8.66s/it] 981it [2:21:57, 8.65s/it] 982it [2:22:06, 8.65s/it] 983it [2:22:14, 8.67s/it] 984it [2:22:23, 8.65s/it] 985it [2:22:32, 8.67s/it] 986it [2:22:40, 8.67s/it] 987it [2:22:49, 8.67s/it] 988it [2:22:58, 8.68s/it] 989it [2:23:06, 8.65s/it] 990it [2:23:15, 8.65s/it] 991it [2:23:24, 8.66s/it] 992it [2:23:32, 8.66s/it] 993it [2:23:41, 8.65s/it] 994it [2:23:49, 8.65s/it] 995it [2:23:58, 8.65s/it] 996it [2:24:07, 8.67s/it] 997it [2:24:15, 8.67s/it] 998it [2:24:24, 8.67s/it] 999it [2:24:33, 8.66s/it] 1000it [2:24:41, 8.67s/it] 1000it [2:24:41, 8.68s/it]
Error counts:
cyclic_id: 0
cyclic_inchikey: 0
cyclic_scaffold: 0
cyclic_mwt: 0
cyclic_clogp: 0
cyclic_tpsa: 0
⏰ Completed process in 2:25:01.134683
+ rm /nemo/lab/johnsone/home/users/johnsoe/data/datasets/cyc-pep-6-12mer-70M-2024/validation/cyc-pep-6-12mer-70M_08.csv