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PySTARC
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Grade
Name
Complexity
Churn
Issues
A
pystarc\forces\multipole.py
7 2 2
A
pystarc\pathways\reaction_interface.py
7 4 -
A
pystarc\pipeline\extract.py
6 2 -
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pystarc\pipeline\parameterize.py
6 3 -
A
conftest.py
6 4 -
A
pystarc\simulation\wiener.py
5 2 -
A
examples\two_charged_spheres\analytical.py
2 2 -
A
examples\thrombin_thrombomodulin\run.sh
 1 1
A
examples\trypsin_benzamidine\run.sh
 1 1
A
examples\carbonic_anhydrase_inhibitors\ca13_vd1126\run.sh
 2 2
A
examples\trypsin_benzamidine_multi_GPUs\submit_SLURM_multi_GPUs.sh
 1 2
A
examples\trypsin_benzamidine_multi_GPUs\submit_SLURM_single_GPU.sh
 1 2
A
examples\carbonic_anhydrase_inhibitors\ca13_vd1209\run.sh
 2 2
A
examples\two_charged_spheres\convergence.py
0 4 -
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examples\two_charged_spheres\run.sh
 2 1
A
install_PySTARC.sh
 5 -
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.github\dependabot.yml
 1 -
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examples\carbonic_anhydrase_inhibitors\ca13_vd1269\run.sh
 2 2
A
pystarc\__init__.py
 2 -
A
examples\carbonic_anhydrase_inhibitors\ca1_vd1269\run.sh
 2 2