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  1. ML_StarterKit_CHE596 ML_StarterKit_CHE596 Public

    End-to-end ML workflow based on the talk I gave in CHE596.

    Jupyter Notebook

  2. qm_2019_sss_3 qm_2019_sss_3 Public

    Forked from MolSSI-Education/qm_2019_sss_3

    Python

  3. hachmannlab/chemml hachmannlab/chemml Public

    ChemML is a machine learning and informatics program suite for the chemical and materials sciences.

    Python 152 29