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PySTARC
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Name
Complexity
Churn
Issues
F
examples\beta_cyclodextrin_guests\BCD_1-naphthylethanol\setup.py
9 7 88
F
examples\beta_cyclodextrin_guests\BCD_1-propanol\setup.py
9 7 88
F
examples\beta_cyclodextrin_guests\BCD_2-naphthylethanol\setup.py
9 7 88
F
examples\trypsin_benzamidine\setup.py
9 9 88
F
examples\trypsin_benzamidine_multi_GPUs\setup.py
9 7 93
F
examples\beta_cyclodextrin_guests\BCD_aspirin\setup.py
9 7 88
F
examples\beta_cyclodextrin_guests\BCD_methyl_butyrate\setup.py
9 7 88
F
examples\beta_cyclodextrin_guests\BCD_tertbutanol\setup.py
9 7 88
F
examples\beta_cyclodextrin_guests\BCD_1-butanol\setup.py
9 7 88
A
pystarc\simulation\diffusional_rotation.py
9 4 -
F
examples\carbonic_anhydrase_inhibitors\ca13_azm\setup.py
10 8 107
F
examples\carbonic_anhydrase_inhibitors\ca13_vd1125\setup.py
10 8 107
F
examples\p38_mapk_sb203580\setup.py
10 7 104
F
examples\carbonic_anhydrase_inhibitors\ca13_vd1126\setup.py
10 8 107
A
pystarc\lib\numerical.py
10 5 -
F
examples\carbonic_anhydrase_inhibitors\ca13_vd1209\setup.py
10 8 107
F
examples\carbonic_anhydrase_inhibitors\ca13_vd1269\setup.py
10 8 107
A
pystarc\forces\chain_gb.py
10 6 2
F
examples\carbonic_anhydrase_inhibitors\ca1_vd1269\setup.py
10 8 107
A
pystarc\pathways\reaction_interface.py
10 7 -