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PySTARC
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Complexity
Churn
Issues
A
pystarc\forces\electrostatic\grid_force.py
15 3 -
A
pystarc\simulation\coffdrop_chain.py
287 3 4
A
pystarc\forces\gpu_batch_engine.py
51 6 -
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examples\beta_cyclodextrin_guests\run.sh
 1 2
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pystarc\forces\multipole.py
7 2 2
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pystarc\pipeline\chain_output_writer.py
80 1 1
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pystarc\global_defs\constants.py
 3 -
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examples\carbonic_anhydrase_inhibitors\ca13_azm\run.sh
 2 2
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pystarc\hydrodynamics\rotne_prager.py
33 3 -
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pystarc\pipeline\chain_pipeline.py
14 2 -
A
pystarc\molsystem\system_state.py
0 3 -
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.codecov.yml
 1 -
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pystarc\motion\do_bd_step.py
15 3 -
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examples\carbonic_anhydrase_inhibitors\ca13_vd1125\run.sh
 2 2
A
pystarc\simulation\gpu_batch_simulator.py
180 8 2
A
pystarc\simulation\diffusional_rotation.py
21 2 2
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pystarc\simulation\coffdrop_params.py
42 3 4
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pystarc\pipeline\extract.py
6 2 -
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.github\workflows\ci.yml
 4 -
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examples\thrombin_thrombomodulin\bb_effect.py
8 2 -