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PySTARC
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Name
Complexity
Churn
Issues
A
pystarc\pipeline\output_writer.py
50 3 1
A
pystarc\pipeline\make_pqr.py
18 4 1
A
examples\hirudin_thrombin\run.sh
 1 1
A
run_pystarc.py
15 3 1
A
pystarc\simulation\outer_propagator.py
60 3 1
A
pystarc\pipeline\prepare_bd_surface.py
52 6 2
A
examples\carbonic_anhydrase_inhibitors\ca13_vd1126\run.sh
 2 2
A
examples\trypsin_benzamidine_multi_GPUs\submit_SLURM_multi_GPUs.sh
 1 2
A
examples\trypsin_benzamidine_multi_GPUs\submit_SLURM_single_GPU.sh
 1 2
A
pystarc\pipeline\pipeline.py
40 7 2
A
examples\carbonic_anhydrase_inhibitors\ca13_vd1125\run.sh
 2 2
A
examples\carbonic_anhydrase_inhibitors\ca13_vd1209\run.sh
 2 2
A
examples\carbonic_anhydrase_inhibitors\ca13_vd1269\run.sh
 2 2
A
pystarc\forces\chain_gb.py
10 1 2
A
pystarc\pipeline\input_parser.py
43 8 2
A
examples\carbonic_anhydrase_inhibitors\ca1_vd1269\run.sh
 2 2
A
pystarc\forces\engine.py
56 5 2
A
examples\beta_cyclodextrin_guests\run.sh
 1 2
A
examples\carbonic_anhydrase_inhibitors\ca2_vd1142\run.sh
 2 2
A
pystarc\forces\multipole.py
7 2 2