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CatMOF
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Name
Complexity
Churn
Issues
A
config.example.yaml
 4 -
A
catmof\sbu_quantum_ml\train.py
0 3 -
B
catmof\sbu_quantum_ml\training\data.py
28 3 3
B
catmof\sbu_quantum_ml\density_fitting\assemble_features.py
20 2 4
A
docs\requirements.yaml
 2 -
A
.github\workflows\CI.yaml
 2 -
A
docs\conf.py
 2 -
A
catmof\sbu_quantum_ml\training\hyperopt.py
2 2 1
A
cli.py
 2 -
A
catmof\sbu_quantum_ml\models\bp_net.py
12 2 3
A
.lgtm.yml
 2 -
B
catmof\featurization.py
17 1 3
A
catmof\sbu_quantum_ml\density_fitting\__init__.py
 1 -
A
catmof\sbu_quantum_ml\density_fitting\__main__.py
3 1 -
A
catmof\__init__.py
 1 -
A
catmof\get_stable_mofs.py
15 1 -
A
catmof\sbu_quantum_ml\density_fitting\molden_io.py
31 1 -
A
catmof\sbu_quantum_ml\density_fitting\psi4_df.py
41 1 3
A
catmof\cli.py
18 1 -
A
catmof\predict_activation_stability.py
3 1 2