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CatMOF
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Issues
A
.github\workflows\CI.yaml
 2 -
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catmof\sbu_quantum_ml\models\bp_net.py
12 2 3
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catmof\predict_thermal_stability.py
6 1 1
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catmof\sbu_quantum_ml\tasks.py
1 1 -
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catmof\sbu_quantum_ml\train.py
0 3 -
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catmof\sbu_analysis.py
59 1 -
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catmof\sbu_quantum_ml\training\__init__.py
 1 -
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catmof\screen_by_metal.py
5 1 -
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catmof\sbu_quantum_ml\density_fitting\__init__.py
 1 -
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catmof\tests\test_catmof.py
0 1 -
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catmof\sbu_capping.py
112 1 1
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catmof\sbu_quantum_ml\training\hyperopt.py
2 2 1
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catmof\sbu_quantum_ml\training\loop.py
6 1 -
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catmof\__init__.py
 1 -
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catmof\sbu_quantum_ml\density_fitting\psi4_df.py
41 1 3
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.codecov.yml
 1 -
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.lgtm.yml
 2 -
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catmof\data\atomic_data.py
 1 -
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catmof\sbu_quantum_ml\__init__.py
 1 -
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catmof\sbu_quantum_ml\training\metrics.py
0 1 -