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PySTARC
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Grade
Name
Complexity
Churn
Issues
A
pystarc\simulation\coffdrop_params.py
34 2 4
A
examples\beta_cyclodextrin_guests\BCD_1-butanol\setup.py
9 3 3
A
examples\beta_cyclodextrin_guests\BCD_aspirin\setup.py
9 3 3
A
pystarc\pipeline\prepare_bd_surface.py
54 2 3
A
examples\beta_cyclodextrin_guests\BCD_1-naphthylethanol\setup.py
9 3 3
A
examples\beta_cyclodextrin_guests\BCD_2-naphthylethanol\setup.py
9 3 3
A
examples\beta_cyclodextrin_guests\BCD_methyl_butyrate\setup.py
9 3 3
A
pystarc\pipeline\gho_injection.py
26 2 3
A
examples\beta_cyclodextrin_guests\BCD_1-propanol\setup.py
9 3 3
A
examples\beta_cyclodextrin_guests\BCD_tertbutanol\setup.py
9 3 3
A
examples\trypsin_benzamidine\setup.py
9 3 3
A
pystarc\multi_GPU\multi_GPU_runs.py
13 2 2
A
pystarc\forces\engine.py
58 2 2
A
pystarc\simulation\coffdrop_chain.py
52 2 2
A
examples\beta_cyclodextrin_guests\run.sh
 1 2
A
pystarc\xml_io\simulation_io.py
18 2 2
A
pystarc\simulation\diffusional_rotation.py
21 2 2
A
pystarc\pipeline\pipeline.py
35 3 2
A
pystarc\forces\multipole.py
7 2 2
A
pystarc\pipeline\make_pqr.py
18 2 2