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PySTARC
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Name
Complexity
Churn
Issues
A
pystarc\forces\multipole_farfield.py
13 5 -
A
pystarc\lib\numerical.py
10 5 -
A
examples\hsp90_inhibitors\HSP90-quinazoline\run.sh
 1 -
A
pystarc\motion\adaptive_time_step.py
13 4 -
A
conftest.py
6 6 -
A
examples\beta_cyclodextrin_guests\BCD_1-butanol\run.sh
 1 -
A
pystarc\motion\do_bd_step.py
16 8 -
A
pystarc\pathways\reaction_interface.py
10 7 -
A
pystarc\hydrodynamics\rotne_prager.py
41 11 -
A
pystarc\molsystem\system_state.py
0 5 -
A
examples\hsp90_inhibitors\HSP90-quinazoline_6EI5\run.sh
 1 -
A
examples\carbonic_anhydrase_inhibitors\ca13_vd1125\run.sh
 3 -
A
examples\beta_cyclodextrin_guests\BCD_2-naphthylethanol\run.sh
 1 -
A
examples\hsp90_inhibitors\HSP90-resorcinol\run.sh
 1 -
A
.github\dependabot.yml
 1 -
A
examples\barnase_barstar\combine_shards.py
2 1 -
A
examples\p38_mapk_sb203580\run.sh
 3 -
A
examples\carbonic_anhydrase_inhibitors\ca13_vd1126\run.sh
 3 -
A
examples\thrombin_thrombomodulin\run.sh
 3 -
A
examples\trypsin_benzamidine\run.sh
 3 -