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PySTARC
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Grade
Name
Complexity
Churn
Issues
A
pystarc\xml_io\simulation_io.py
18 2 2
A
pystarc\pipeline\make_pqr.py
18 4 1
A
requirements.txt
 2 -
A
pystarc\pipeline\parameterize.py
6 3 -
A
pystarc\simulation\gpu_batch_simulator.py
180 8 2
A
pystarc\pipeline\prepare_bd_surface.py
52 6 2
A
examples\trypsin_benzamidine_multi_GPUs\submit_SLURM_multi_GPUs.sh
 1 2
A
pystarc\simulation\chain_simulator.py
125 1 4
A
conftest.py
6 4 -
A
pystarc\simulation\wiener.py
5 2 -
A
.github\workflows\ci.yml
 4 -
A
examples\thrombin_thrombomodulin\bb_effect.py
8 2 -
A
pystarc\pipeline\chain_pipeline.py
14 2 -
C
examples\hirudin_thrombin\setup.py
 2 34
F
examples\carbonic_anhydrase_inhibitors\ca13_vd1125\setup.py
10 6 107
F
examples\beta_cyclodextrin_guests\BCD_2-naphthylethanol\setup.py
9 7 88
F
examples\trypsin_benzamidine\setup.py
9 8 88
F
examples\trypsin_benzamidine_multi_GPUs\setup.py
9 6 93
F
examples\beta_cyclodextrin_guests\BCD_aspirin\setup.py
9 7 88
F
examples\carbonic_anhydrase_inhibitors\ca13_vd1126\setup.py
10 6 107