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  1. deepchem deepchem Public

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

    Python 5.5k 1.7k

  2. DeepLearningLifeSciences DeepLearningLifeSciences Public

    Example code from the book "Deep Learning for the Life Sciences"

    Jupyter Notebook 357 152

  3. moleculenet moleculenet Public

    Moleculenet.ai Datasets And Splits

    Jupyter Notebook 90 20

  4. jaxchem jaxchem Public

    JAXChem is a JAX-based deep learning library for complex and versatile chemical modeling

    Python 79 10

  5. deepchem-gui deepchem-gui Public

    A simple web GUI for DeepChem

    JavaScript 59 19

  6. torchchem torchchem Public

    An experimental repo for experimenting with PyTorch models

    Python 35 14

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