cyc-pep-6-12mer-70M-2024 / test /cyc-pep-6-12mer-70M_09.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_09.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_09.csv
+ awk -F, -v OFS=, '1 { print $8, $1, $2, $10, $3 }'
++ zcat /nemo/lab/johnsone/home/users/johnsoe/data/datasets/rapid_6-12b/240425_rapid_6-12.tsv.gz
+ schemist convert -f csv --column cysteine_to_N_cyclization --to id inchikey scaffold mwt clogp tpsa --prefix cyclic_ --options prefix=SCB-
+ gzip --best
++ head -n1
++ tr ' ' ,
🚀 Converting between string representations with the following parameters:
subcommand: convert
output: <_io.TextIOWrapper name='<stdout>' mode='w' encoding='utf-8'>
format: csv
input: <_io.TextIOWrapper name='<stdin>' mode='r' encoding='utf-8'>
representation: SMILES
column: cysteine_to_N_cyclization
prefix: cyclic_
to: ['id', 'inchikey', 'scaffold', 'mwt', 'clogp', 'tpsa']
options: ['prefix=SCB-']
func: <function _convert at 0x7f94dfb2f240>
0it [00:00, ?it/s] 1it [00:08, 8.98s/it] 2it [00:17, 8.96s/it] 3it [00:26, 8.97s/it] 4it [00:35, 8.98s/it] 5it [00:44, 8.98s/it] 6it [00:53, 8.98s/it] 7it [01:02, 8.99s/it] 8it [01:11, 9.00s/it] 9it [01:20, 8.99s/it] 10it [01:29, 8.99s/it] 11it [01:38, 8.97s/it] 12it [01:47, 8.99s/it] 13it [01:56, 9.00s/it] 14it [02:05, 8.96s/it] 15it [02:14, 8.96s/it] 16it [02:23, 8.93s/it] 17it [02:32, 8.94s/it] 18it [02:41, 8.95s/it] 19it [02:50, 8.96s/it] 20it [02:59, 9.00s/it] 21it [03:08, 8.98s/it] 22it [03:17, 8.99s/it] 23it [03:26, 8.99s/it] 24it [03:35, 9.00s/it] 25it [03:44, 9.02s/it] 26it [03:53, 9.01s/it] 27it [04:02, 9.05s/it] 28it [04:11, 9.02s/it] 29it [04:20, 9.02s/it] 30it [04:29, 9.00s/it] 31it [04:38, 8.98s/it] 32it [04:47, 8.97s/it] 33it [04:56, 8.97s/it] 34it [05:05, 8.96s/it] 35it [05:14, 8.95s/it] 36it [05:23, 8.95s/it] 37it [05:32, 8.95s/it] 38it [05:41, 8.93s/it] 39it [05:50, 8.93s/it] 40it [05:59, 8.95s/it] 41it [06:07, 8.94s/it] 42it [06:16, 8.95s/it] 43it [06:25, 8.94s/it] 44it [06:34, 8.95s/it] 45it [06:43, 8.96s/it] 46it [06:52, 8.95s/it] 47it [07:01, 8.95s/it] 48it [07:10, 8.95s/it] 49it [07:19, 8.95s/it] 50it [07:28, 8.96s/it] 51it [07:37, 8.95s/it] 52it [07:46, 8.98s/it] 53it [07:55, 8.96s/it] 54it [08:04, 8.96s/it] 55it [08:13, 8.96s/it] 56it [08:22, 8.95s/it] 57it [08:31, 8.96s/it] 58it [08:40, 8.96s/it] 59it [08:49, 8.97s/it] 60it [08:58, 8.96s/it] 61it [09:07, 8.94s/it] 62it [09:15, 8.95s/it] 63it [09:24, 8.94s/it] 64it [09:33, 8.96s/it] 65it [09:42, 8.95s/it] 66it [09:51, 8.94s/it] 67it [10:00, 8.94s/it] 68it [10:09, 8.94s/it] 69it [10:18, 8.94s/it] 70it [10:27, 8.94s/it] 71it [10:36, 8.93s/it] 72it [10:45, 8.94s/it] 73it [10:54, 8.93s/it] 74it [11:03, 8.95s/it] 75it [11:12, 8.94s/it] 76it [11:21, 8.94s/it] 77it [11:30, 8.95s/it] 78it [11:39, 8.96s/it] 79it [11:48, 8.97s/it] 80it [11:57, 8.96s/it] 81it [12:05, 8.95s/it] 82it [12:14, 8.96s/it] 83it [12:23, 8.96s/it] 84it [12:32, 8.96s/it] 85it [12:41, 8.96s/it] 86it [12:50, 8.96s/it] 87it [12:59, 8.96s/it] 88it [13:08, 8.96s/it] 89it [13:17, 8.96s/it] 90it [13:26, 8.96s/it] 91it [13:35, 8.96s/it] 92it [13:44, 8.96s/it] 93it [13:53, 8.94s/it] 94it [14:02, 8.94s/it] 95it [14:11, 8.96s/it] 96it [14:20, 8.93s/it] 97it [14:29, 8.93s/it] 98it [14:38, 8.93s/it] 99it [14:47, 8.96s/it] 100it [14:56, 8.95s/it] 101it [15:05, 8.95s/it] 102it [15:14, 8.96s/it] 103it [15:22, 8.96s/it] 104it [15:31, 8.96s/it] 105it [15:40, 8.97s/it] 106it [15:49, 8.96s/it] 107it [15:58, 8.96s/it] 108it [16:07, 8.96s/it] 109it [16:16, 8.96s/it] 110it [16:25, 8.94s/it] 111it [16:34, 8.97s/it] 112it [16:43, 8.96s/it] 113it [16:52, 8.98s/it] 114it [17:01, 8.97s/it] 115it [17:10, 8.97s/it] 116it [17:19, 8.96s/it] 117it [17:28, 8.95s/it] 118it [17:37, 8.94s/it] 119it [17:46, 8.92s/it] 120it [17:55, 8.90s/it] 121it [18:03, 8.91s/it] 122it [18:12, 8.90s/it] 123it [18:21, 8.90s/it] 124it [18:30, 8.92s/it] 125it [18:39, 8.92s/it] 126it [18:48, 8.92s/it] 127it [18:57, 8.91s/it] 128it [19:06, 8.91s/it] 129it [19:15, 8.92s/it] 130it [19:24, 8.92s/it] 131it [19:33, 8.92s/it] 132it [19:42, 8.92s/it] 133it [19:50, 8.93s/it] 134it [19:59, 8.92s/it] 135it [20:08, 8.93s/it] 136it [20:17, 8.93s/it] 137it [20:26, 8.94s/it] 138it [20:35, 8.93s/it] 139it [20:44, 8.95s/it] 140it [20:53, 8.94s/it] 141it [21:02, 8.95s/it] 142it [21:11, 8.94s/it] 143it [21:20, 8.94s/it] 144it [21:29, 8.95s/it] 145it [21:38, 8.94s/it] 146it [21:47, 8.95s/it] 147it [21:56, 8.93s/it] 148it [22:05, 8.93s/it] 149it [22:14, 8.94s/it] 150it [22:22, 8.93s/it] 151it [22:31, 8.94s/it] 152it [22:40, 8.93s/it] 153it [22:49, 8.92s/it] 154it [22:58, 8.93s/it] 155it [23:07, 8.94s/it] 156it [23:16, 8.93s/it] 157it [23:25, 8.91s/it] 158it [23:34, 8.91s/it] 159it [23:43, 8.91s/it] 160it [23:52, 8.90s/it] 161it [24:01, 8.91s/it] 162it [24:09, 8.92s/it] 163it [24:18, 8.92s/it] 164it [24:27, 8.94s/it] 165it [24:36, 8.97s/it] 166it [24:45, 8.95s/it] 167it [24:54, 8.96s/it] 168it [25:03, 8.94s/it] 169it [25:12, 8.96s/it] 170it [25:21, 8.95s/it] 171it [25:30, 8.96s/it] 172it [25:39, 8.94s/it] 173it [25:48, 8.94s/it] 174it [25:57, 8.94s/it] 175it [26:06, 8.94s/it] 176it [26:15, 8.96s/it] 177it [26:24, 8.95s/it] 178it [26:33, 8.96s/it] 179it [26:42, 8.97s/it] 180it [26:51, 8.97s/it] 181it [27:00, 8.95s/it] 182it [27:09, 8.94s/it] 183it [27:17, 8.91s/it] 184it [27:26, 8.93s/it] 185it [27:35, 8.93s/it] 186it [27:44, 8.95s/it] 187it [27:53, 8.94s/it] 188it [28:02, 8.94s/it] 189it [28:11, 8.94s/it] 190it [28:20, 8.94s/it] 191it [28:29, 8.95s/it] 192it [28:38, 8.93s/it] 193it [28:47, 8.95s/it] 194it [28:56, 8.95s/it] 195it [29:05, 8.95s/it] 196it [29:14, 8.93s/it] 197it [29:23, 8.93s/it] 198it [29:31, 8.93s/it] 199it [29:40, 8.94s/it] 200it [29:49, 8.94s/it] 201it [29:58, 8.94s/it] 202it [30:07, 8.93s/it] 203it [30:16, 8.95s/it] 204it [30:25, 8.93s/it] 205it [30:34, 8.94s/it] 206it [30:43, 8.94s/it] 207it [30:52, 8.92s/it] 208it [31:01, 8.92s/it] 209it [31:10, 8.92s/it] 210it [31:19, 8.93s/it] 211it [31:28, 8.99s/it] 212it [31:37, 9.00s/it] 213it [31:46, 8.98s/it] 214it [31:55, 8.97s/it] 215it [32:04, 8.97s/it] 216it [32:13, 8.99s/it] 217it [32:22, 8.97s/it] 218it [32:31, 8.97s/it] 219it [32:40, 8.95s/it] 220it [32:48, 8.95s/it] 221it [32:57, 8.93s/it] 222it [33:06, 8.93s/it] 223it [33:15, 8.93s/it] 224it [33:24, 8.93s/it] 225it [33:33, 8.92s/it] 226it [33:42, 8.92s/it] 227it [33:51, 8.94s/it] 228it [34:00, 8.93s/it] 229it [34:09, 8.95s/it] 230it [34:18, 8.94s/it] 231it [34:27, 8.94s/it] 232it [34:36, 8.92s/it] 233it [34:45, 8.95s/it] 234it [34:54, 8.96s/it] 235it [35:03, 8.95s/it] 236it [35:11, 8.95s/it] 237it [35:20, 8.95s/it] 238it [35:29, 8.96s/it] 239it [35:38, 8.93s/it] 240it [35:47, 8.96s/it] 241it [35:56, 8.95s/it] 242it [36:05, 8.96s/it] 243it [36:14, 8.95s/it] 244it [36:23, 8.95s/it] 245it [36:32, 8.94s/it] 246it [36:41, 8.97s/it] 247it [36:50, 8.96s/it] 248it [36:59, 8.95s/it] 249it [37:08, 8.93s/it] 250it [37:17, 8.94s/it] 251it [37:26, 8.93s/it] 252it [37:35, 8.93s/it] 253it [37:44, 8.94s/it] 254it [37:53, 8.95s/it] 255it [38:02, 8.96s/it] 256it [38:10, 8.95s/it] 257it [38:19, 8.96s/it] 258it [38:28, 8.97s/it] 259it [38:37, 8.96s/it] 260it [38:46, 8.96s/it] 261it [38:55, 8.97s/it] 262it [39:04, 8.96s/it] 263it [39:13, 8.95s/it] 264it [39:22, 8.94s/it] 265it [39:31, 8.95s/it] 266it [39:40, 8.95s/it] 267it [39:49, 8.95s/it] 268it [39:58, 8.95s/it] 269it [40:07, 8.95s/it] 270it [40:16, 8.97s/it] 271it [40:25, 8.96s/it] 272it [40:34, 8.95s/it] 273it [40:43, 8.94s/it] 274it [40:52, 8.97s/it] 275it [41:01, 8.97s/it] 276it [41:10, 8.99s/it] 277it [41:19, 9.00s/it] 278it [41:28, 9.00s/it] 279it [41:37, 8.98s/it] 280it [41:46, 8.96s/it] 281it [41:55, 8.97s/it] 282it [42:04, 8.98s/it] 283it [42:13, 8.98s/it] 284it [42:22, 8.98s/it] 285it [42:31, 8.98s/it] 286it [42:39, 8.97s/it] 287it [42:49, 8.99s/it] 288it [42:58, 9.01s/it] 289it [43:07, 9.01s/it] 290it [43:16, 8.99s/it] 291it [43:24, 8.98s/it] 292it [43:33, 8.97s/it] 293it [43:42, 8.97s/it] 294it [43:51, 8.96s/it] 295it [44:00, 8.96s/it] 296it [44:09, 8.96s/it] 297it [44:18, 8.96s/it] 298it [44:27, 8.98s/it] 299it [44:36, 8.97s/it] 300it [44:45, 8.98s/it] 301it [44:54, 8.98s/it] 302it [45:03, 8.98s/it] 303it [45:12, 8.99s/it] 304it [45:21, 8.99s/it] 305it [45:30, 8.98s/it] 306it [45:39, 8.98s/it] 307it [45:48, 8.98s/it] 308it [45:57, 8.99s/it] 309it [46:06, 8.98s/it] 310it [46:15, 9.00s/it] 311it [46:24, 9.01s/it] 312it [46:33, 9.00s/it] 313it [46:42, 9.01s/it] 314it [46:51, 8.99s/it] 315it [47:00, 9.01s/it] 316it [47:09, 9.00s/it] 317it [47:18, 9.00s/it] 318it [47:27, 8.99s/it] 319it [47:36, 9.00s/it] 320it [47:45, 8.99s/it] 321it [47:54, 8.98s/it] 322it [48:03, 8.97s/it] 323it [48:12, 8.97s/it] 324it [48:21, 8.98s/it] 325it [48:30, 8.99s/it] 326it [48:39, 8.99s/it] 327it [48:48, 9.01s/it] 328it [48:57, 9.05s/it] 329it [49:06, 9.03s/it] 330it [49:15, 9.00s/it] 331it [49:24, 8.98s/it] 332it [49:33, 9.00s/it] 333it [49:42, 9.00s/it] 334it [49:51, 8.99s/it] 335it [50:00, 8.99s/it] 336it [50:09, 8.99s/it] 337it [50:18, 8.99s/it] 338it [50:27, 8.99s/it] 339it [50:36, 8.99s/it] 340it [50:45, 8.99s/it] 341it [50:54, 9.00s/it] 342it [51:03, 8.97s/it] 343it [51:12, 8.99s/it] 344it [51:21, 8.98s/it] 345it [51:30, 8.98s/it] 346it [51:39, 8.98s/it] 347it [51:48, 8.99s/it] 348it [51:57, 8.98s/it] 349it [52:06, 8.97s/it] 350it [52:15, 8.96s/it] 351it [52:24, 8.96s/it] 352it [52:33, 8.98s/it] 353it [52:42, 8.99s/it] 354it [52:51, 8.99s/it] 355it [53:00, 9.00s/it] 356it [53:09, 9.00s/it] 357it [53:18, 8.99s/it] 358it [53:27, 8.98s/it] 359it [53:36, 8.98s/it] 360it [53:45, 8.98s/it] 361it [53:54, 8.97s/it] 362it [54:02, 8.97s/it] 363it [54:11, 8.98s/it] 364it [54:20, 8.96s/it] 365it [54:29, 8.97s/it] 366it [54:38, 8.97s/it] 367it [54:47, 8.99s/it] 368it [54:56, 8.98s/it] 369it [55:05, 9.00s/it] 370it [55:14, 8.99s/it] 371it [55:23, 9.01s/it] 372it [55:32, 9.00s/it] 373it [55:41, 9.00s/it] 374it [55:50, 8.99s/it] 375it [55:59, 9.00s/it] 376it [56:08, 8.99s/it] 377it [56:17, 8.98s/it] 378it [56:26, 8.99s/it] 379it [56:35, 8.98s/it] 380it [56:44, 8.98s/it] 381it [56:53, 8.97s/it] 382it [57:02, 8.98s/it] 383it [57:11, 8.99s/it] 384it [57:20, 8.99s/it] 385it [57:29, 8.98s/it] 386it [57:38, 8.99s/it] 387it [57:47, 9.00s/it] 388it [57:56, 8.98s/it] 389it [58:05, 8.98s/it] 390it [58:14, 8.98s/it] 391it [58:23, 8.96s/it] 392it [58:32, 8.96s/it] 393it [58:41, 8.96s/it] 394it [58:50, 8.96s/it] 395it [58:59, 8.95s/it] 396it [59:08, 8.95s/it] 397it [59:17, 8.94s/it] 398it [59:26, 8.92s/it] 399it [59:35, 8.95s/it] 400it [59:44, 8.96s/it] 401it [59:53, 8.97s/it] 402it [1:00:01, 8.95s/it] 403it [1:00:10, 8.96s/it] 404it [1:00:19, 8.95s/it] 405it [1:00:28, 8.97s/it] 406it [1:00:37, 8.98s/it] 407it [1:00:46, 8.98s/it] 408it [1:00:55, 8.98s/it] 409it [1:01:04, 8.99s/it] 410it [1:01:13, 8.98s/it] 411it [1:01:22, 8.97s/it] 412it [1:01:31, 8.97s/it] 413it [1:01:40, 8.94s/it] 414it [1:01:49, 8.95s/it] 415it [1:01:58, 8.95s/it] 416it [1:02:07, 8.97s/it] 417it [1:02:16, 8.97s/it] 418it [1:02:25, 8.97s/it] 419it [1:02:34, 8.97s/it] 420it [1:02:43, 8.99s/it] 421it [1:02:52, 8.97s/it] 422it [1:03:01, 8.97s/it] 423it [1:03:10, 8.97s/it] 424it [1:03:19, 8.97s/it] 425it [1:03:28, 8.97s/it] 426it [1:03:37, 8.97s/it] 427it [1:03:46, 8.98s/it] 428it [1:03:55, 8.94s/it] 429it [1:04:04, 8.94s/it] 430it [1:04:13, 8.95s/it] 431it [1:04:22, 8.98s/it] 432it [1:04:31, 8.97s/it] 433it [1:04:39, 8.97s/it] 434it [1:04:48, 8.96s/it] 435it [1:04:57, 8.97s/it] 436it [1:05:06, 8.97s/it] 437it [1:05:15, 8.95s/it] 438it [1:05:24, 8.93s/it] 439it [1:05:33, 8.94s/it] 440it [1:05:42, 8.95s/it] 441it [1:05:51, 8.96s/it] 442it [1:06:00, 8.97s/it] 443it [1:06:09, 8.97s/it] 444it [1:06:18, 8.97s/it] 445it [1:06:27, 8.97s/it] 446it [1:06:36, 8.96s/it] 447it [1:06:45, 8.95s/it] 448it [1:06:54, 8.96s/it] 449it [1:07:03, 8.96s/it] 450it [1:07:12, 8.96s/it] 451it [1:07:21, 8.95s/it] 452it [1:07:30, 8.95s/it] 453it [1:07:39, 8.96s/it] 454it [1:07:48, 8.96s/it] 455it [1:07:57, 8.96s/it] 456it [1:08:05, 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[2:18:39, 10.25s/it] 915it [2:18:49, 10.25s/it] 916it [2:18:59, 10.24s/it] 917it [2:19:09, 10.23s/it] 918it [2:19:19, 10.21s/it] 919it [2:19:30, 10.20s/it] 920it [2:19:40, 10.21s/it] 921it [2:19:50, 10.23s/it] 922it [2:20:00, 10.24s/it] 923it [2:20:11, 10.26s/it] 924it [2:20:21, 10.24s/it] 925it [2:20:31, 10.22s/it] 926it [2:20:41, 10.24s/it] 927it [2:20:51, 10.23s/it] 928it [2:21:02, 10.24s/it] 929it [2:21:12, 10.22s/it] 930it [2:21:22, 10.21s/it] 931it [2:21:32, 10.22s/it] 932it [2:21:43, 10.22s/it] 933it [2:21:53, 10.17s/it] 934it [2:22:02, 10.08s/it] 935it [2:22:12, 10.05s/it] 936it [2:22:22, 10.03s/it] 937it [2:22:32, 10.02s/it] 938it [2:22:43, 10.09s/it] 939it [2:22:53, 10.15s/it] 940it [2:23:03, 10.16s/it] 941it [2:23:13, 10.18s/it] 942it [2:23:24, 10.18s/it] 943it [2:23:34, 10.19s/it] 944it [2:23:44, 10.20s/it] 945it [2:23:54, 10.20s/it] 946it [2:24:04, 10.21s/it] 947it [2:24:15, 10.21s/it] 948it [2:24:25, 10.21s/it] 949it [2:24:35, 10.21s/it] 950it [2:24:45, 10.21s/it] 951it [2:24:55, 10.21s/it] 952it [2:25:06, 10.21s/it] 953it [2:25:16, 10.20s/it] 954it [2:25:26, 10.23s/it] 955it [2:25:36, 10.22s/it] 956it [2:25:47, 10.25s/it] 957it [2:25:57, 10.27s/it] 958it [2:26:07, 10.30s/it] 959it [2:26:18, 10.30s/it] 960it [2:26:28, 10.30s/it] 961it [2:26:38, 10.31s/it] 962it [2:26:49, 10.31s/it] 963it [2:26:59, 10.31s/it] 964it [2:27:09, 10.30s/it] 965it [2:27:19, 10.26s/it] 966it [2:27:29, 10.21s/it] 967it [2:27:40, 10.21s/it] 968it [2:27:50, 10.17s/it] 969it [2:28:00, 10.18s/it] 970it [2:28:10, 10.16s/it] 971it [2:28:20, 10.14s/it] 972it [2:28:30, 10.13s/it] 973it [2:28:40, 10.13s/it] 974it [2:28:51, 10.13s/it] 975it [2:29:01, 10.14s/it] 976it [2:29:11, 10.14s/it] 977it [2:29:21, 10.14s/it] 978it [2:29:31, 10.13s/it] 979it [2:29:41, 10.14s/it] 980it [2:29:51, 10.12s/it] 981it [2:30:01, 10.12s/it] 982it [2:30:12, 10.14s/it] 983it [2:30:22, 10.13s/it] 984it [2:30:32, 10.16s/it] 985it [2:30:42, 10.14s/it] 986it [2:30:52, 10.14s/it] 987it [2:31:02, 10.13s/it] 988it [2:31:12, 10.11s/it] 989it [2:31:22, 10.11s/it] 990it [2:31:33, 10.13s/it] 991it [2:31:43, 10.15s/it] 992it [2:31:53, 10.14s/it] 993it [2:32:03, 10.14s/it] 994it [2:32:13, 10.18s/it] 995it [2:32:23, 10.16s/it] 996it [2:32:34, 10.16s/it] 997it [2:32:44, 10.14s/it] 998it [2:32:54, 10.14s/it] 999it [2:33:04, 10.14s/it] 1000it [2:33:14, 10.17s/it] 1000it [2:33:14, 9.19s/it]
Error counts:
cyclic_id: 0
cyclic_inchikey: 0
cyclic_scaffold: 0
cyclic_mwt: 0
cyclic_clogp: 0
cyclic_tpsa: 0
⏰ Completed process in 2:33:34.867497
+ rm /nemo/lab/johnsone/home/users/johnsoe/data/datasets/cyc-pep-6-12mer-70M-2024/test/cyc-pep-6-12mer-70M_09.csv