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PolyatomicComplexes
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Grade
Name
Complexity
Churn
Issues
A
setup.py
 4 -
A
requirements\requirements.txt
 5 -
A
polyatomic_complexes\tests\test_small_quantum.py
2 2 -
A
polyatomic_complexes\tests\test_polyatoms.py
5 6 -
A
polyatomic_complexes\tests\test_large_geom.py
7 7 -
B
polyatomic_complexes\tests\test_geom_unique.py
51 3 8
B
polyatomic_complexes\tests\test_geom.py
70 1 5
A
polyatomic_complexes\tests\test_atoms.py
8 5 -
A
polyatomic_complexes\src\experiment\process_photoswitches.py
17 1 -
A
polyatomic_complexes\src\experiment\process_mp_jdft2d.py
13 1 -
A
polyatomic_complexes\src\experiment\process_materials_project.py
10 1 -
A
polyatomic_complexes\src\experiment\process_lipophilicity.py
17 1 -
A
polyatomic_complexes\src\experiment\process_freesolv.py
17 1 -
A
polyatomic_complexes\src\experiment\process_esol.py
17 1 -
A
polyatomic_complexes\src\experiment\__init__.py
 1 -
A
polyatomic_complexes\src\complexes\space_utils.py
69 1 2
A
polyatomic_complexes\src\complexes\quantum_theor_complex.py
127 3 2
A
polyatomic_complexes\src\complexes\quantum_complex.py
71 2 1
A
polyatomic_complexes\src\complexes\polyatomic_geometry.py
14 1 1
A
polyatomic_complexes\src\complexes\polyatomic_complex_cls.py
13 1 -