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PolyatomicComplexes
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Grade
Name
Complexity
Churn
Issues
A
polyatomic_complexes\experiments\experiment_runner.py
20 2 -
A
polyatomic_complexes\src\complexes\force_complex.py
12 2 -
A
polyatomic_complexes\src\complexes\polyatomic_geometry.py
11 2 1
B
polyatomic_complexes\tests\test_geom.py
52 2 5
A
polyatomic_complexes\experiments\load_process_data.py
26 2 1
A
polyatomic_complexes\src\complexes\quantum_theor_complex.py
82 2 1
A
polyatomic_complexes\src\experiment\__init__.py
 1 -
A
polyatomic_complexes\src\experiment\process_esol.py
8 1 -
A
polyatomic_complexes\src\experiment\process_freesolv.py
8 1 -
A
.github\workflows\joss-compile.yml
 1 -
A
polyatomic_complexes\src\__init__.py
 1 -
A
polyatomic_complexes\src\experiment\process_lipophilicity.py
8 1 -
A
polyatomic_complexes\src\experiment\process_materials_project.py
7 1 -
A
.github\workflows\build_graph.yml
 1 -
A
polyatomic_complexes\src\experiment\process_mp_jdft2d.py
6 1 -
A
polyatomic_complexes\src\complexes\__init__.py
 1 -
A
polyatomic_complexes\src\experiment\process_photoswitches.py
8 1 -
A
polyatomic_complexes\__init__.py
 1 -
A
polyatomic_complexes\tests\test_atoms.py
7 1 -
A
.github\dependabot.yml
 1 -