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PolyatomicComplexes
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Name
Complexity
Churn
Issues
A
setup.py
 1 -
B
requirements\requirements.txt
 1 6
A
polyatomic_complexes\tests\test_small_quantum.py
0 7 -
A
polyatomic_complexes\tests\test_polyatoms.py
4 2 -
A
polyatomic_complexes\tests\test_large_geom.py
6 14 -
A
polyatomic_complexes\tests\test_kchains.py
19 16 1
B
polyatomic_complexes\tests\test_geom_unique.py
41 3 8
B
polyatomic_complexes\tests\test_geom.py
48 3 5
A
polyatomic_complexes\tests\test_atoms.py
7 1 -
A
polyatomic_complexes\src\experiment\process_photoswitches.py
8 1 -
A
polyatomic_complexes\src\experiment\process_mp_jdft2d.py
6 1 -
A
polyatomic_complexes\src\experiment\process_materials_project.py
7 1 -
A
polyatomic_complexes\src\experiment\process_lipophilicity.py
8 1 -
A
polyatomic_complexes\src\experiment\process_freesolv.py
8 1 -
A
polyatomic_complexes\src\experiment\process_esol.py
8 1 -
A
polyatomic_complexes\src\experiment\__init__.py
 1 -
A
polyatomic_complexes\src\complexes\space_utils.py
39 4 2
A
polyatomic_complexes\src\complexes\quantum_theor_complex.py
82 3 1
A
polyatomic_complexes\src\complexes\quantum_complex.py
43 3 1
A
polyatomic_complexes\src\complexes\polyatomic_geometry.py
11 2 1