Pinned

1. torchdrug torchdrug Public

   A powerful and flexible machine learning platform for drug discovery

   Python 1.4k 195

2. GMNN GMNN Public

   Graph Markov Neural Networks

   Python 394 99

3. ULTRA ULTRA Public

   A foundation model for knowledge graph reasoning

   Python 390 55

4. GearNet GearNet Public

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

   Python 249 26

5. NBFNet NBFNet Public

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

   Python 192 29

6. ConfGF ConfGF Public

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

   Python 153 34