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  1. molecularsets/moses Public

    Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models

    Python 859 245

  2. hse-aml/bayesian-methods-for-ml Public

    Materials for "Bayesian Methods for Machine Learning" Coursera MOOC

    Jupyter Notebook 133 111

  3. insilicomedicine/fcd_torch Public

    Fréchet ChemNet Distance on PyTorch

    Python 46 14

  4. insilicomedicine/GENTRL Public

    Generative Tensorial Reinforcement Learning (GENTRL) model

    Python 612 219

  5. bayesgroup/bayesgroup.github.io Public

    Jupyter Notebook 82 21

  6. rdkit/rdkit Public

    The official sources for the RDKit library

    HTML 2.8k 898

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January 2025

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