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PySTARC
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Name
Complexity
Churn
Issues
F
examples\carbonic_anhydrase_inhibitors\ca1_vd1269\setup.py
10 6 107
F
examples\carbonic_anhydrase_inhibitors\ca13_azm\setup.py
10 6 107
A
pystarc\pipeline\prepare_bd_surface.py
52 6 2
A
pystarc\forces\gpu_batch_engine.py
51 6 -
A
pystarc\forces\engine.py
56 5 2
A
pystarc\structures\pqr_io.py
19 5 -
A
pystarc\pipeline\run_apbs.py
22 5 1
A
pystarc\simulation\nam_simulator.py
62 5 2
A
install_PySTARC.sh
 5 -
A
pystarc\forces\lj.py
11 5 -
A
pystarc\pipeline\gho_injection.py
24 4 3
A
conftest.py
6 4 -
A
pystarc\analysis\convergence.py
16 4 -
A
examples\two_charged_spheres\convergence.py
0 4 -
A
pystarc\simulation\we_simulator.py
31 4 -
A
pystarc\multi_GPU\combine_data.py
62 4 2
A
pystarc\pathways\reaction_interface.py
7 4 -
A
pystarc\pipeline\make_pqr.py
18 4 1
A
.github\workflows\ci.yml
 4 -
A
pystarc\cli\main.py
22 3 -