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  1. Monroe Monroe Public

    Monroe: A Molecular Foundation Model for In-Context Probabilistic Inference

    Python 7

  2. graphcore-research/minimol graphcore-research/minimol Public

    MiniMol is a 10M-parameters molecular fingerprinting model pre-trained on >3300 biological and quantum tasks

    Jupyter Notebook 51 12

  3. datamol-io/graphium datamol-io/graphium Public

    Graphium: Scaling molecular GNNs to infinity.

    Python 245 16

  4. graphcore-research/pyscf-ipu graphcore-research/pyscf-ipu Public

    PySCF on IPU

    C++ 44 2