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PySTARC
2,550
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pull requests
187
files
1
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CodeFactor Rating D-
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Grade
Name
Complexity
Churn
Issues
A
examples\ttk_inhibitors\5N93\submit_SLURM_single_GPU.sh
2
1
A
examples\ttk_inhibitors\3H9F\run.sh
1
-
A
examples\ttk_inhibitors\5LJJ\submit_SLURM_multi_GPUs.sh
2
1
A
examples\ttk_inhibitors\5N7V\run.sh
1
-
A
examples\ttk_inhibitors\5N7V\submit_SLURM_multi_GPUs.sh
2
1
A
.github\workflows\ci.yml
4
-
A
pystarc\global_defs\constants.py
8
-
A
examples\two_charged_spheres\analytical.py
2
4
-
A
examples\barnase_barstar\combine_shards.py
2
1
-
A
pystarc\pipeline\extract.py
6
3
-
A
pystarc\pipeline\parameterize.py
6
5
-
A
conftest.py
6
6
-
A
examples\barnase_barstar\make_grids.py
8
1
-
A
pystarc\pipeline\desolvation_grid.py
8
3
-
A
pystarc\simulation\diffusional_rotation.py
9
4
-
A
pystarc\forces\chain_gb.py
10
6
2
A
pystarc\transforms\quaternion.py
10
4
-
A
pystarc\pathways\reaction_interface.py
10
7
-
A
pystarc\lib\numerical.py
10
5
-
A
pystarc\forces\multipole.py
11
4
1
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