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  • University of Delaware
  • San Francisco, USA

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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 265 49

  4. VlachosGroup/AIMSim VlachosGroup/AIMSim Public

    A Python toolbox to work with molecular similarity

    Python 33 4

  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