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PySTARC
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Complexity
Churn
Issues
A
examples\carbonic_anhydrase_inhibitors\ca2_vd1142\run.sh
 2 2
A
pystarc\forces\multipole_farfield.py
13 3 -
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pystarc\forces\gpu_batch_engine.py
51 6 -
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pystarc\hydrodynamics\mc_hydro_radius.py
16 2 -
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pystarc\forces\multipole.py
7 2 2
A
examples\beta_cyclodextrin_guests\run.sh
 1 2
A
pystarc\global_defs\constants.py
 3 -
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examples\carbonic_anhydrase_inhibitors\ca13_azm\run.sh
 2 2
A
examples\hirudin_thrombin\run.sh
 1 1
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pystarc\lib\numerical.py
9 2 -
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pystarc\hydrodynamics\rotne_prager.py
33 3 -
A
pystarc\molsystem\system_state.py
0 3 -
A
pystarc\motion\adaptive_time_step.py
13 2 -
A
pystarc\motion\do_bd_step.py
15 3 -
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examples\p38_mapk_sb203580\run.sh
 1 2
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pystarc\multi_GPU\combine_data.py
62 4 2
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.codecov.yml
 1 -
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.github\workflows\ci.yml
 4 -
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pystarc\multi_GPU\multi_GPU_runs.py
13 2 2
A
examples\carbonic_anhydrase_inhibitors\ca13_vd1125\run.sh
 2 2