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PolyatomicComplexes
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Complexity
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Issues
A
polyatomic_complexes\src\experiment\process_esol.py
17 1 -
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polyatomic_complexes\experiments\__init__.py
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polyatomic_complexes\experiments\mp_matbench_experiment.py
19 4 -
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polyatomic_complexes\src\experiment\process_lipophilicity.py
17 1 -
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polyatomic_complexes\src\experiment\process_materials_project.py
10 1 -
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polyatomic_complexes\src\__init__.py
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.github\workflows\build.yml
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.github\workflows\ci.yml
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polyatomic_complexes\src\complexes\__init__.py
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polyatomic_complexes\src\complexes\building_blocks.py
14 1 -
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polyatomic_complexes\src\experiment\__init__.py
 1 -
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polyatomic_complexes\experiments\metrics.py
3 1 -
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polyatomic_complexes\src\experiment\process_freesolv.py
17 1 -
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.github\workflows\build_mat.yml
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.github\workflows\documentation.yml
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polyatomic_complexes\experiments\jdft2d_matbench_experiment.py
20 3 -
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polyatomic_complexes\src\complexes\core_utils.py
59 1 -
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polyatomic_complexes\experiments\kernels.py
12 1 -
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polyatomic_complexes\src\complexes\force_complex.py
30 1 -
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.github\dependabot.yml
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