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CatMOF
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Grade
Name
Complexity
Churn
Issues
A
.codecov.yml
 1 -
A
.github\workflows\CI.yaml
 2 -
A
.lgtm.yml
 2 -
A
catmof\__init__.py
 1 -
A
catmof\cli.py
18 1 -
C
catmof\cluster_extraction.py
97 1 8
A
catmof\data\atomic_data.py
 1 -
B
catmof\featurization.py
17 1 3
A
catmof\get_stable_mofs.py
15 1 -
A
catmof\paths.py
4 1 -
A
catmof\predict_activation_stability.py
3 1 2
A
catmof\predict_thermal_stability.py
6 1 1
A
catmof\sbu_analysis.py
59 1 -
A
catmof\sbu_capping.py
112 1 1
A
catmof\sbu_quantum_ml\__init__.py
 1 -
A
catmof\sbu_quantum_ml\density_fitting\__init__.py
 1 -
A
catmof\sbu_quantum_ml\density_fitting\__main__.py
3 1 -
B
catmof\sbu_quantum_ml\density_fitting\assemble_features.py
20 2 4
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