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PolyatomicComplexes
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Name
Complexity
Churn
Issues
A
.github\workflows\joss-compile.yml
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.github\workflows\build_graph.yml
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polyatomic_complexes\src\complexes\__init__.py
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polyatomic_complexes\experiments\__init__.py
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polyatomic_complexes\experiments\experiment_runner.py
20 2 -
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polyatomic_complexes\src\complexes\force_complex.py
12 2 -
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polyatomic_complexes\experiments\kernels.py
5 2 -
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polyatomic_complexes\src\complexes\polyatomic_geometry.py
11 2 1
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polyatomic_complexes\tests\test_polyatoms.py
4 2 -
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polyatomic_complexes\experiments\load_process_data.py
26 2 1
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polyatomic_complexes\experiments\metrics.py
1 2 -
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polyatomic_complexes\experiments\run_experiment.py
0 3 -
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polyatomic_complexes\src\complexes\abstract_complex.py
51 3 3
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polyatomic_complexes\tests\test_geom_unique.py
41 3 8
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polyatomic_complexes\src\complexes\atomic_complex.py
35 3 -
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polyatomic_complexes\tests\test_geom.py
48 3 5
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polyatomic_complexes\src\complexes\build_atom_lookup.py
2 3 1
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polyatomic_complexes\experiments\gaussian_process.py
11 3 1
A
polyatomic_complexes\src\complexes\quantum_complex.py
43 3 1
A
polyatomic_complexes\src\complexes\quantum_theor_complex.py
82 3 1