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PySTARC
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Name
Complexity
Churn
Issues
A
pystarc\simulation\coffdrop_chain.py
287 3 4
A
pystarc\simulation\chain_simulator.py
125 1 4
A
pystarc\pipeline\gho_injection.py
24 4 3
A
pystarc\pipeline\geometry.py
59 6 3
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pystarc\multi_GPU\combine_data.py
62 4 2
A
examples\carbonic_anhydrase_inhibitors\ca13_vd1126\run.sh
 2 2
A
examples\trypsin_benzamidine_multi_GPUs\submit_SLURM_single_GPU.sh
 1 2
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pystarc\forces\multipole.py
7 2 2
A
pystarc\forces\engine.py
56 5 2
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examples\carbonic_anhydrase_inhibitors\ca13_vd1209\run.sh
 2 2
A
examples\trypsin_benzamidine_multi_GPUs\submit_SLURM_multi_GPUs.sh
 1 2
A
pystarc\pipeline\pipeline.py
40 7 2
A
examples\carbonic_anhydrase_inhibitors\ca13_vd1269\run.sh
 2 2
A
examples\carbonic_anhydrase_inhibitors\ca1_vd1269\run.sh
 2 2
A
pystarc\multi_GPU\multi_GPU_runs.py
13 2 2
A
pystarc\pipeline\input_parser.py
43 8 2
A
examples\beta_cyclodextrin_guests\run.sh
 1 2
A
examples\carbonic_anhydrase_inhibitors\ca2_vd1142\run.sh
 2 2
A
examples\carbonic_anhydrase_inhibitors\ca13_azm\run.sh
 2 2
A
pystarc\pipeline\prepare_bd_surface.py
52 6 2