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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_11.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_11.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_11.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-
++ head -n1
+ gzip --best
++ 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 0x7f071da57240>
0it [00:00, ?it/s] 1it [00:09, 9.55s/it] 2it [00:19, 9.54s/it] 3it [00:28, 9.57s/it] 4it [00:38, 9.58s/it] 5it [00:47, 9.59s/it] 6it [00:57, 9.61s/it] 7it [01:07, 9.59s/it] 8it [01:16, 9.55s/it] 9it [01:26, 9.54s/it] 10it [01:35, 9.53s/it] 11it [01:45, 9.54s/it] 12it [01:54, 9.55s/it] 13it [02:04, 9.56s/it] 14it [02:13, 9.54s/it] 15it [02:23, 9.52s/it] 16it [02:32, 9.49s/it] 17it [02:42, 9.50s/it] 18it [02:51, 9.53s/it] 19it [03:01, 9.55s/it] 20it [03:10, 9.56s/it] 21it [03:20, 9.54s/it] 22it [03:29, 9.52s/it] 23it [03:39, 9.52s/it] 24it [03:48, 9.51s/it] 25it [03:58, 9.53s/it] 26it [04:07, 9.50s/it] 27it [04:17, 9.52s/it] 28it [04:27, 9.55s/it] 29it [04:36, 9.53s/it] 30it [04:46, 9.54s/it] 31it [04:55, 9.55s/it] 32it [05:05, 9.54s/it] 33it [05:14, 9.55s/it] 34it [05:24, 9.55s/it] 35it [05:33, 9.56s/it] 36it [05:43, 9.53s/it] 37it [05:52, 9.51s/it] 38it [06:02, 9.51s/it] 39it [06:11, 9.51s/it] 40it [06:21, 9.52s/it] 41it [06:30, 9.51s/it] 42it [06:40, 9.53s/it] 43it [06:50, 9.53s/it] 44it [06:59, 9.53s/it] 45it [07:09, 9.52s/it] 46it [07:18, 9.53s/it] 47it [07:28, 9.54s/it] 48it [07:37, 9.57s/it] 49it [07:47, 9.57s/it] 50it [07:57, 9.59s/it] 51it [08:06, 9.58s/it] 52it [08:16, 9.57s/it] 53it [08:25, 9.56s/it] 54it [08:35, 9.54s/it] 55it [08:44, 9.55s/it] 56it [08:54, 9.54s/it] 57it [09:03, 9.55s/it] 58it [09:13, 9.54s/it] 59it [09:22, 9.54s/it] 60it [09:32, 9.53s/it] 61it [09:42, 9.57s/it] 62it [09:51, 9.57s/it] 63it [10:01, 9.56s/it] 64it [10:10, 9.56s/it] 65it [10:20, 9.57s/it] 66it [10:29, 9.56s/it] 67it [10:39, 9.53s/it] 68it [10:48, 9.56s/it] 69it [10:58, 9.58s/it] 70it [11:08, 9.58s/it] 71it [11:17, 9.59s/it] 72it [11:27, 9.59s/it] 73it [11:36, 9.59s/it] 74it [11:46, 9.56s/it] 75it [11:55, 9.54s/it] 76it [12:05, 9.53s/it] 77it [12:15, 9.57s/it] 78it [12:24, 9.57s/it] 79it [12:34, 9.57s/it] 80it [12:43, 9.57s/it] 81it [12:53, 9.57s/it] 82it [13:03, 9.58s/it] 83it [13:12, 9.57s/it] 84it [13:22, 9.55s/it] 85it [13:31, 9.54s/it] 86it [13:41, 9.56s/it] 87it [13:50, 9.57s/it] 88it [14:00, 9.56s/it] 89it [14:09, 9.55s/it] 90it [14:19, 9.56s/it] 91it [14:28, 9.55s/it] 92it [14:38, 9.54s/it] 93it [14:48, 9.56s/it] 94it [14:57, 9.55s/it] 95it [15:07, 9.56s/it] 96it [15:16, 9.56s/it] 97it [15:26, 9.57s/it] 98it [15:35, 9.58s/it] 99it [15:45, 9.55s/it] 100it [15:55, 9.58s/it] 101it [16:04, 9.60s/it] 102it [16:14, 9.60s/it] 103it [16:23, 9.58s/it] 104it [16:33, 9.58s/it] 105it [16:43, 9.58s/it] 106it [16:52, 9.55s/it] 107it [17:02, 9.56s/it] 108it [17:11, 9.58s/it] 109it [17:21, 9.57s/it] 110it [17:30, 9.56s/it] 111it [17:40, 9.55s/it] 112it [17:49, 9.56s/it] 113it [17:59, 9.52s/it] 114it [18:08, 9.54s/it] 115it [18:18, 9.54s/it] 116it [18:28, 9.56s/it] 117it [18:37, 9.56s/it] 118it [18:47, 9.56s/it] 119it [18:56, 9.53s/it] 120it [19:06, 9.54s/it] 121it [19:15, 9.55s/it] 122it [19:25, 9.59s/it] 123it [19:34, 9.56s/it] 124it [19:44, 9.56s/it] 125it [19:54, 9.57s/it] 126it [20:03, 9.56s/it] 127it [20:13, 9.56s/it] 128it [20:22, 9.55s/it] 129it [20:32, 9.55s/it] 130it [20:41, 9.54s/it] 131it [20:51, 9.54s/it] 132it [21:00, 9.54s/it] 133it [21:10, 9.54s/it] 134it [21:20, 9.56s/it] 135it [21:29, 9.58s/it] 136it [21:39, 9.56s/it] 137it [21:48, 9.54s/it] 138it [21:58, 9.57s/it] 139it [22:07, 9.57s/it] 140it [22:17, 9.57s/it] 141it [22:26, 9.56s/it] 142it [22:36, 9.54s/it] 143it [22:46, 9.54s/it] 144it [22:55, 9.54s/it] 145it [23:05, 9.52s/it] 146it [23:14, 9.51s/it] 147it [23:24, 9.52s/it] 148it [23:33, 9.52s/it] 149it [23:43, 9.52s/it] 150it [23:52, 9.54s/it] 151it [24:02, 9.53s/it] 152it [24:11, 9.52s/it] 153it [24:21, 9.51s/it] 154it [24:30, 9.51s/it] 155it [24:40, 9.53s/it] 156it [24:49, 9.52s/it] 157it [24:59, 9.52s/it] 158it [25:08, 9.54s/it] 159it [25:18, 9.55s/it] 160it [25:28, 9.56s/it] 161it [25:37, 9.58s/it] 162it [25:47, 9.58s/it] 163it [25:56, 9.56s/it] 164it [26:06, 9.57s/it] 165it [26:15, 9.57s/it] 166it [26:25, 9.56s/it] 167it [26:35, 9.58s/it] 168it [26:44, 9.59s/it] 169it [26:54, 9.57s/it] 170it [27:03, 9.56s/it] 171it [27:13, 9.57s/it] 172it [27:22, 9.56s/it] 173it [27:32, 9.55s/it] 174it [27:41, 9.56s/it] 175it [27:51, 9.55s/it] 176it [28:01, 9.57s/it] 177it [28:10, 9.55s/it] 178it [28:20, 9.59s/it] 179it [28:29, 9.57s/it] 180it [28:39, 9.56s/it] 181it [28:48, 9.54s/it] 182it [28:58, 9.56s/it] 183it [29:08, 9.56s/it] 184it [29:17, 9.56s/it] 185it [29:27, 9.57s/it] 186it [29:36, 9.59s/it] 187it [29:46, 9.59s/it] 188it [29:55, 9.58s/it] 189it [30:05, 9.56s/it] 190it [30:15, 9.56s/it] 191it [30:24, 9.57s/it] 192it [30:34, 9.57s/it] 193it [30:43, 9.59s/it] 194it [30:53, 9.59s/it] 195it [31:02, 9.58s/it] 196it [31:12, 9.59s/it] 197it [31:22, 9.58s/it] 198it [31:31, 9.57s/it] 199it [31:41, 9.57s/it] 200it [31:50, 9.60s/it] 201it [32:00, 9.61s/it] 202it [32:10, 9.60s/it] 203it [32:19, 9.57s/it] 204it [32:29, 9.56s/it] 205it [32:38, 9.57s/it] 206it [32:48, 9.57s/it] 207it [32:57, 9.56s/it] 208it [33:07, 9.57s/it] 209it [33:17, 9.57s/it] 210it [33:26, 9.59s/it] 211it [33:36, 9.60s/it] 212it [33:45, 9.57s/it] 213it [33:55, 9.57s/it] 214it [34:04, 9.56s/it] 215it [34:14, 9.56s/it] 216it [34:24, 9.55s/it] 217it [34:33, 9.58s/it] 218it [34:43, 9.58s/it] 219it [34:52, 9.57s/it] 220it [35:02, 9.59s/it] 221it [35:11, 9.59s/it] 222it [35:21, 9.57s/it] 223it [35:30, 9.54s/it] 224it [35:40, 9.57s/it] 225it [35:50, 9.56s/it] 226it [35:59, 9.56s/it] 227it [36:09, 9.55s/it] 228it [36:18, 9.56s/it] 229it [36:28, 9.56s/it] 230it [36:37, 9.55s/it] 231it [36:47, 9.54s/it] 232it [36:57, 9.56s/it] 233it [37:06, 9.55s/it] 234it [37:16, 9.55s/it] 235it [37:25, 9.54s/it] 236it [37:35, 9.53s/it] 237it [37:44, 9.55s/it] 238it [37:54, 9.55s/it] 239it [38:03, 9.54s/it] 240it [38:13, 9.56s/it] 241it [38:22, 9.56s/it] 242it [38:32, 9.53s/it] 243it [38:41, 9.51s/it] 244it [38:51, 9.52s/it] 245it [39:00, 9.52s/it] 246it [39:10, 9.52s/it] 247it [39:20, 9.53s/it] 248it [39:29, 9.55s/it] 249it [39:39, 9.53s/it] 250it [39:48, 9.53s/it] 251it [39:58, 9.53s/it] 252it [40:07, 9.55s/it] 253it [40:17, 9.56s/it] 254it [40:26, 9.55s/it] 255it [40:36, 9.55s/it] 256it [40:45, 9.54s/it] 257it [40:55, 9.55s/it] 258it [41:05, 9.57s/it] 259it [41:14, 9.57s/it] 260it [41:24, 9.58s/it] 261it [41:33, 9.58s/it] 262it [41:43, 9.58s/it] 263it [41:53, 9.58s/it] 264it [42:02, 9.59s/it] 265it [42:12, 9.59s/it] 266it [42:21, 9.59s/it] 267it [42:31, 9.58s/it] 268it [42:41, 9.59s/it] 269it [42:50, 9.62s/it] 270it [43:00, 9.66s/it] 271it [43:10, 9.71s/it] 272it [43:20, 9.77s/it] 273it [43:30, 9.79s/it] 274it [43:39, 9.82s/it] 275it [43:49, 9.84s/it] 276it [43:59, 9.83s/it] 277it [44:09, 9.79s/it] 278it [44:19, 9.81s/it] 279it [44:28, 9.82s/it] 280it [44:38, 9.85s/it] 281it [44:48, 9.85s/it] 282it [44:58, 9.88s/it] 283it [45:08, 9.89s/it] 284it [45:18, 9.91s/it] 285it [45:28, 9.89s/it] 286it [45:38, 9.86s/it] 287it [45:48, 9.87s/it] 288it [45:58, 9.88s/it] 289it [46:07, 9.90s/it] 290it [46:17, 9.90s/it] 291it [46:27, 9.90s/it] 292it [46:37, 9.88s/it] 293it [46:47, 9.86s/it] 294it [46:57, 9.88s/it] 295it [47:07, 9.86s/it] 296it [47:16, 9.81s/it] 297it [47:26, 9.80s/it] 298it [47:36, 9.82s/it] 299it [47:46, 9.83s/it] 300it [47:56, 9.85s/it] 301it [48:05, 9.83s/it] 302it [48:15, 9.82s/it] 303it [48:25, 9.80s/it] 304it [48:35, 9.80s/it] 305it [48:45, 9.81s/it] 306it [48:54, 9.80s/it] 307it [49:04, 9.78s/it] 308it [49:14, 9.76s/it] 309it [49:24, 9.79s/it] 310it [49:34, 9.82s/it] 311it [49:43, 9.80s/it] 312it [49:53, 9.78s/it] 313it [50:03, 9.77s/it] 314it [50:13, 9.76s/it] 315it [50:22, 9.77s/it] 316it [50:32, 9.77s/it] 317it [50:42, 9.82s/it] 318it [50:52, 9.79s/it] 319it [51:02, 9.80s/it] 320it [51:12, 9.82s/it] 321it [51:21, 9.84s/it] 322it [51:31, 9.79s/it] 323it [51:41, 9.77s/it] 324it [51:50, 9.73s/it] 325it [52:00, 9.69s/it] 326it [52:10, 9.65s/it] 327it [52:19, 9.63s/it] 328it [52:29, 9.64s/it] 329it [52:38, 9.63s/it] 330it [52:48, 9.65s/it] 331it [52:58, 9.70s/it] 332it [53:08, 9.73s/it] 333it [53:18, 9.75s/it] 334it [53:27, 9.78s/it] 335it [53:37, 9.78s/it] 336it [53:47, 9.79s/it] 337it [53:57, 9.81s/it] 338it [54:07, 9.80s/it] 339it [54:16, 9.80s/it] 340it [54:26, 9.82s/it] 341it [54:27, 7.07s/it] 341it [54:27, 9.58s/it]
Error counts:
cyclic_id: 0
cyclic_inchikey: 0
cyclic_scaffold: 0
cyclic_mwt: 0
cyclic_clogp: 0
cyclic_tpsa: 0
⏰ Completed process in 0:54:34.072277
+ rm /nemo/lab/johnsone/home/users/johnsoe/data/datasets/cyc-pep-6-12mer-70M-2024/validation/cyc-pep-6-12mer-70M_11.csv