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  1. microsoft/molecule-generation microsoft/molecule-generation Public

    Implementation of MoLeR: a generative model of molecular graphs which supports scaffold-constrained generation

    Python 241 37

  2. microsoft/syntheseus microsoft/syntheseus Public

    Package for Retrosynthetic Planning

    Python 88 9

  3. microsoft/FS-Mol microsoft/FS-Mol Public

    FS-Mol is A Few-Shot Learning Dataset of Molecules, containing molecular compounds with measurements of activity against a variety of protein targets. The dataset is presented with a model evaluati…

    Python 153 24