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1. Monroe Monroe Public

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

   Python 12

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 52 12

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

   Graphium: Scaling molecular GNNs to infinity.

   Python 246 16

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

   PySCF on IPU

   C++ 44 2