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PySTARC
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Grade
Name
Complexity
Churn
Issues
A
examples\ttk_inhibitors\5N93\submit_SLURM_single_GPU.sh
 2 1
A
pystarc\forces\chain_gb.py
10 6 2
A
pystarc\forces\engine.py
59 9 2
A
pystarc\xml_io\simulation_io.py
40 7 2
A
pystarc\multi_GPU\combine_data.py
95 12 2
A
pystarc\multi_GPU\multi_GPU_runs.py
15 5 2
A
pystarc\structures\chain_io.py
63 7 2
A
pystarc\simulation\gpu_batch_simulator.py
202 21 2
A
pystarc\pipeline\input_parser.py
45 14 2
A
pystarc\pipeline\prepare_bd_surface.py
64 14 2
A
pystarc\pipeline\pipeline.py
40 15 2
A
pystarc\simulation\coffdrop_chain.py
248 15 2
A
pystarc\simulation\chain_simulator.py
134 9 4
A
pystarc\pipeline\geometry.py
60 14 4
A
pystarc\simulation\coffdrop_params.py
46 6 4
F
tests\test_pystarc.py
337 52 12
C
examples\barnase_barstar\setup.py
43 3 32
F
examples\ttk_inhibitors\5NAD\setup.py
159 3 80
F
examples\hsp90_inhibitors\HSP90-aminopyridine\setup.py
159 2 80
F
examples\beta_cyclodextrin_guests\BCD_tertbutanol\setup.py
159 8 80