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1. computational-chemistry-toolbox computational-chemistry-toolbox Public

   Python 1

2. wavey wavey Public

   Python 1

3. facebookresearch/beanmachine facebookresearch/beanmachine Public archive

   A library that allows for inference on probabilistic models

   Python 272 51

4. VlachosGroup/AIMSim VlachosGroup/AIMSim Public

   A Python toolbox to work with molecular similarity

   Python 43 5

5. VlachosGroup/Regularized-Machine-Learning-on-Molecular-Graph-Model-Explains-Systematic-Error-in-DFT-Enthalpies VlachosGroup/Regularized-Machine-Learning-on-Molecular-Graph-Model-Explains-Systematic-Error-in-DFT-Enthalpies Public

   Python 2

6. VlachosGroup/thermochemical-data-fusion VlachosGroup/thermochemical-data-fusion Public

   Code hub.

   Python 1