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@choderalab

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yuanqing-wang/README.md

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  1. choderalab/espaloma choderalab/espaloma Public

    Extensible Surrogate Potential of Ab initio Learned and Optimized by Message-passing Algorithm 🍹https://arxiv.org/abs/2010.01196

    Python 215 25

  2. choderalab/pinot choderalab/pinot Public

    Probabilistic Inference for NOvel Therapeutics

    Python 15 2

  3. eng110 eng110 Public

    ENG110: Freshman Composition @ City College of New York

    2

  4. malt malt Public

    Forked from uli-ai/malt

    Molecular Active Learning Testbed

    Python 3 1

  5. _bronx _bronx Public template

    Bayesian Rewiring Networks

    Python 1