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PySTARC
1,778
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pull requests
92
files
1
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CodeFactor Rating F
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Grade
Name
Complexity
Churn
Issues
A
pystarc\__init__.py
2
-
A
examples\carbonic_anhydrase_inhibitors\ca13_azm\run.sh
2
2
A
pystarc\analysis\convergence.py
16
4
-
A
.codecov.yml
1
-
A
examples\two_charged_spheres\run.sh
2
1
A
examples\thrombin_thrombomodulin\run.sh
1
1
A
examples\carbonic_anhydrase_inhibitors\ca13_vd1125\run.sh
2
2
A
pystarc\global_defs\constants.py
3
-
A
pystarc\forces\multipole.py
7
2
2
A
pystarc\hydrodynamics\mc_hydro_radius.py
16
2
-
A
examples\trypsin_benzamidine_multi_GPUs\submit_SLURM_multi_GPUs.sh
1
2
A
conftest.py
6
4
-
A
examples\two_charged_spheres\analytical.py
2
2
-
A
pystarc\hydrodynamics\rotne_prager.py
33
3
-
A
pystarc\motion\do_bd_step.py
15
3
-
A
pystarc\motion\adaptive_time_step.py
13
2
-
A
pystarc\molsystem\system_state.py
0
3
-
A
pystarc\cli\main.py
22
3
-
A
.github\workflows\ci.yml
4
-
A
examples\thrombin_thrombomodulin\bb_effect.py
8
2
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