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  1. A powerful and flexible machine learning platform for drug discovery

    Python 1.6k 222

  2. A foundation model for knowledge graph reasoning

    Python 620 81

  3. Graph Markov Neural Networks

    Python 414 101

  4. GearNet and Geometric Pretraining Methods for Protein Structure Representation Learning, ICLR'2023 (https://arxiv.org/abs/2203.06125)

    Python 321 33

  5. Official implementation of Neural Bellman-Ford Networks (NeurIPS 2021)

    Python 239 33

  6. Implementation of Learning Gradient Fields for Molecular Conformation Generation (ICML 2021).

    Python 173 38