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PySTARC
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Complexity
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Issues
F
examples\beta_cyclodextrin_guests\BCD_1-butanol\setup.py
9 7 88
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\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
A
pystarc\pipeline\pipeline.py
40 7 2
F
examples\trypsin_benzamidine\setup.py
9 8 88
A
pystarc\pipeline\input_parser.py
43 8 2
A
pystarc\simulation\gpu_batch_simulator.py
180 8 2
F
tests\test_pystarc.py
242 17 20