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CatMOF
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Complexity
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Issues
A
config.example.yaml
 4 -
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catmof\sbu_quantum_ml\train.py
0 3 -
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catmof\text_mining_tools\paper_pickler.py
14 1 -
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catmof\text_mining_tools\title_fetcher.py
10 1 -
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devtools\conda-envs\catmof_env.yaml
 1 -
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catmof\screen_by_metal.py
5 1 -
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catmof\sbu_quantum_ml\training\loop.py
6 1 -
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catmof\sbu_quantum_ml\density_fitting\__init__.py
 1 -
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catmof\sbu_quantum_ml\density_fitting\molden_io.py
31 1 -
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readthedocs.yml
 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 -
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catmof\text_mining.py
41 1 1
A
catmof\text_mining_tools\downloader.py
24 1 1
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devtools\scripts\create_conda_env.py
0 1 1
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catmof\sbu_quantum_ml\density_fitting\xtb_parse.py
27 1 1
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catmof\predict_thermal_stability.py
6 1 1
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catmof\sbu_capping.py
112 1 1
A
catmof\sbu_quantum_ml\training\hyperopt.py
2 2 1
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catmof\predict_activation_stability.py
3 1 2