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PolyatomicComplexes
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Grade
Name
Complexity
Churn
Issues
A
polyatomic_complexes\src\complexes\build_atom_lookup.py
5 3 1
B
polyatomic_complexes\tests\test_geom_unique.py
51 3 8
A
polyatomic_complexes\experiments\photoswitches_experiment.py
26 3 1
A
polyatomic_complexes\experiments\jdft2d_matbench_experiment.py
20 3 -
A
polyatomic_complexes\src\complexes\general_utils.py
44 3 1
B
polyatomic_complexes\src\complexes\polyatomic_complex.py
27 3 3
A
polyatomic_complexes\experiments\lipophilicity_experiment.py
26 3 1
A
polyatomic_complexes\src\complexes\quantum_complex.py
71 2 1
A
polyatomic_complexes\tests\test_kchains.py
21 2 1
A
polyatomic_complexes\src\__init__.py
 2 -
A
polyatomic_complexes\src\complexes\abstract_complex.py
90 2 3
A
mkdocs.yml
 2 -
A
polyatomic_complexes\src\complexes\polyatomic_geometry.py
14 1 1
A
polyatomic_complexes\src\complexes\space_utils.py
69 1 2
A
polyatomic_complexes\src\experiment\__init__.py
 1 -
A
polyatomic_complexes\experiments\metrics.py
3 1 -
A
polyatomic_complexes\src\experiment\process_esol.py
17 1 -
A
polyatomic_complexes\experiments\__init__.py
 1 -
A
polyatomic_complexes\src\experiment\process_freesolv.py
17 1 -
A
polyatomic_complexes\src\experiment\process_lipophilicity.py
17 1 -