anandojha/PySTARC

main

PySTARC

Grade	Name	Complexity	Churn	Issues
A	examples\barnase_barstar\combine_shards.py	2	1	-
A	examples\p38_mapk_sb203580\run.sh		3	-
A	pystarc\simulation\step_near_surface.py	16	5	-
A	examples\carbonic_anhydrase_inhibitors\ca13_vd1126\run.sh		3	-
A	examples\thrombin_thrombomodulin\run.sh		3	-
A	examples\trypsin_benzamidine\run.sh		3	-
A	examples\carbonic_anhydrase_inhibitors\ca13_vd1209\run.sh		3	-
A	examples\beta_cyclodextrin_guests\BCD_aspirin\run.sh		1	-
A	examples\ttk_inhibitors\2X9E\run.sh		1	-
A	examples\ttk_inhibitors\3GFW\run.sh		1	-
A	examples\carbonic_anhydrase_inhibitors\ca13_vd1269\run.sh		3	-
A	examples\barnase_barstar\make_grids.py	8	1	-
A	examples\beta_cyclodextrin_guests\BCD_1-naphthylethanol\run.sh		1	-
A	examples\ttk_inhibitors\3H9F\run.sh		1	-
A	examples\ttk_inhibitors\5LJJ\run.sh		1	-
A	examples\carbonic_anhydrase_inhibitors\ca1_vd1269\run.sh		3	-
A	examples\beta_cyclodextrin_guests\BCD_methyl_butyrate\run.sh		1	-
A	examples\ttk_inhibitors\5N7V\run.sh		1	-
A	.codecov.yml		1	-
A	.github\workflows\ci.yml		4	-