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PolyatomicComplexes
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Complexity
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Issues
A
polyatomic_complexes\experiments\gaussian_process.py
11 4 1
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polyatomic_complexes\src\complexes\building_blocks.py
4 3 -
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.github\workflows\documentation.yml
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polyatomic_complexes\src\complexes\force_complex.py
12 1 -
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polyatomic_complexes\experiments\kernels.py
5 1 -
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polyatomic_complexes\src\complexes\polyatomic_geometry.py
11 1 1
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polyatomic_complexes\experiments\lipophilicity_experiment.py
17 3 1
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polyatomic_complexes\__init__.py
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polyatomic_complexes\src\complexes\quantum_theor_complex.py
82 3 1
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.github\workflows\build_mat.yml
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polyatomic_complexes\src\experiment\__init__.py
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polyatomic_complexes\experiments\metrics.py
1 1 -
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polyatomic_complexes\src\experiment\process_esol.py
0 2 -
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.github\workflows\build.yml
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polyatomic_complexes\src\experiment\process_mp_jdft2d.py
6 1 -
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polyatomic_complexes\src\experiment\process_materials_project.py
7 1 -
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polyatomic_complexes\experiments\photoswitches_experiment.py
17 3 1
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.github\workflows\build_graph.yml
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mkdocs.yml
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polyatomic_complexes\src\complexes\polyatomic_complex_cls.py
0 1 -