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PolyatomicComplexes
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Name
Complexity
Churn
Issues
A
polyatomic_complexes\src\__init__.py
 2 -
A
polyatomic_complexes\src\complexes\abstract_complex.py
90 2 3
A
polyatomic_complexes\src\complexes\quantum_complex.py
71 2 1
A
mkdocs.yml
 2 -
F
polyatomic_complexes\experiments\load_process_data.py
87 3 19
B
polyatomic_complexes\tests\test_geom_unique.py
51 3 8
A
polyatomic_complexes\src\complexes\quantum_theor_complex.py
127 3 1
A
polyatomic_complexes\experiments\esol_experiment.py
26 3 1
A
polyatomic_complexes\experiments\photoswitches_experiment.py
26 3 1
A
polyatomic_complexes\experiments\freesolv_experiment.py
26 3 1
A
polyatomic_complexes\src\complexes\__init__.py
 3 -
A
polyatomic_complexes\src\complexes\atomic_complex.py
43 3 1
A
polyatomic_complexes\src\complexes\build_atom_lookup.py
5 3 1
A
polyatomic_complexes\experiments\jdft2d_matbench_experiment.py
20 3 -
A
polyatomic_complexes\src\complexes\general_utils.py
44 3 1
A
polyatomic_complexes\experiments\lipophilicity_experiment.py
26 3 1
B
polyatomic_complexes\src\complexes\polyatomic_complex.py
27 3 3
A
.github\workflows\build_mat.yml
 4 -
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polyatomic_complexes\__init__.py
 4 -
A
polyatomic_complexes\experiments\mp_matbench_experiment.py
19 4 -