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  1. Thesis_ESI Thesis_ESI Public

    Electronic Supplementary Information for "CatSD: Structural Database and High-Throughput Predictive Workflows for Homogeneous Catalyst Design".

    Jupyter Notebook

  2. deepchem deepchem Public

    Forked from deepchem/deepchem

    Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology

    Python