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catmof\sbu_quantum_ml\train.py
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config.example.yaml
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devtools\conda-envs\catmof_env.yaml
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catmof\sbu_quantum_ml\models\__init__.py
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.codecov.yml
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catmof\sbu_quantum_ml\training\__init__.py
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catmof\tests\test_catmof.py
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devtools\scripts\create_conda_env.py
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.github\workflows\CI.yaml
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catmof\sbu_quantum_ml\density_fitting\workflows.py
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catmof\sbu_quantum_ml\density_fitting\__init__.py
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catmof\data\atomic_data.py
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catmof\tests\__init__.py
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catmof\__init__.py
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cli.py
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docs\requirements.yaml
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docs\conf.py
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catmof\sbu_quantum_ml\training\metrics.py
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.lgtm.yml
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catmof\sbu_quantum_ml\__init__.py
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