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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\lipophilicity_experiment.py
26 3 1
A
polyatomic_complexes\src\complexes\general_utils.py
44 3 1
B
polyatomic_complexes\src\complexes\polyatomic_complex.py
27 3 3
F
polyatomic_complexes\experiments\load_process_data.py
87 3 19
A
polyatomic_complexes\src\__init__.py
 2 -
A
polyatomic_complexes\tests\test_small_quantum.py
2 2 -
A
polyatomic_complexes\src\complexes\quantum_complex.py
71 2 1
A
polyatomic_complexes\experiments\metrics.py
3 1 -
A
polyatomic_complexes\src\complexes\space_utils.py
69 1 2
A
polyatomic_complexes\src\experiment\__init__.py
 1 -
A
polyatomic_complexes\src\experiment\process_esol.py
17 1 -
A
polyatomic_complexes\src\experiment\process_freesolv.py
17 1 -
A
polyatomic_complexes\src\experiment\process_lipophilicity.py
17 1 -
A
polyatomic_complexes\src\experiment\process_materials_project.py
10 1 -
A
polyatomic_complexes\src\experiment\process_mp_jdft2d.py
13 1 -
A
polyatomic_complexes\src\experiment\process_photoswitches.py
17 1 -
A
polyatomic_complexes\src\complexes\abstract_complex.py
53 1 -
A
polyatomic_complexes\src\complexes\building_blocks.py
14 1 -