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CatMOF
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Grade
Name
Complexity
Churn
Issues
B
catmof\sbu_quantum_ml\training\data.py
28 3 3
A
catmof\sbu_quantum_ml\training\__init__.py
 1 -
A
catmof\sbu_quantum_ml\train.py
0 3 -
A
catmof\sbu_quantum_ml\tasks.py
1 1 -
A
catmof\sbu_quantum_ml\models\bp_net.py
12 2 3
A
catmof\sbu_quantum_ml\models\__init__.py
 1 -
A
catmof\sbu_quantum_ml\density_fitting\xtb_parse.py
27 1 1
A
catmof\sbu_quantum_ml\density_fitting\workflows.py
0 1 -
A
catmof\sbu_quantum_ml\density_fitting\psi4_df.py
41 1 3
A
catmof\sbu_quantum_ml\density_fitting\molden_io.py
31 1 -
B
catmof\sbu_quantum_ml\density_fitting\assemble_features.py
20 2 4
A
catmof\sbu_quantum_ml\density_fitting\__main__.py
3 1 -
A
catmof\sbu_quantum_ml\density_fitting\__init__.py
 1 -
A
catmof\sbu_quantum_ml\__init__.py
 1 -
A
catmof\sbu_capping.py
112 1 1
A
catmof\sbu_analysis.py
59 1 -
A
catmof\predict_thermal_stability.py
6 1 1
A
catmof\predict_activation_stability.py
3 1 2
A
catmof\paths.py
4 1 -
A
catmof\get_stable_mofs.py
15 1 -