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PySTARC
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Grade
Name
Complexity
Churn
Issues
A
.github\workflows\ci.yml
 4 -
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pystarc\pathways\reaction_interface.py
7 4 -
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pystarc\pipeline\run_apbs.py
22 5 1
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pystarc\simulation\nam_simulator.py
62 5 2
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pystarc\structures\pqr_io.py
19 5 -
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install_PySTARC.sh
 5 -
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pystarc\forces\engine.py
56 5 2
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pystarc\forces\lj.py
11 5 -
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pystarc\pipeline\geometry.py
59 6 3
F
examples\carbonic_anhydrase_inhibitors\ca13_vd1125\setup.py
10 6 107
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examples\trypsin_benzamidine_multi_GPUs\setup.py
9 6 93
F
examples\carbonic_anhydrase_inhibitors\ca13_vd1126\setup.py
10 6 107
A
pystarc\pipeline\prepare_bd_surface.py
52 6 2
F
examples\carbonic_anhydrase_inhibitors\ca13_vd1209\setup.py
10 6 107
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examples\carbonic_anhydrase_inhibitors\ca13_vd1269\setup.py
10 6 107
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examples\carbonic_anhydrase_inhibitors\ca1_vd1269\setup.py
10 6 107
A
pystarc\forces\gpu_batch_engine.py
51 6 -
F
examples\carbonic_anhydrase_inhibitors\ca2_vd1142\setup.py
10 6 107
F
examples\carbonic_anhydrase_inhibitors\ca13_azm\setup.py
10 6 107
F
examples\p38_mapk_sb203580\setup.py
10 6 104