Pinned

1. DiffDock Public

   Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking

   Python 395 75

2. torsional-diffusion Public

   Implementation of Torsional Diffusion for Molecular Conformer Generation (NeurIPS 2022)

   Python 135 23

3. NeuroSEED Public

   Implementation of Neural Distance Embeddings for Biological Sequences (NeuroSEED) in PyTorch (NeurIPS 2021)

   Python 57 15

4. lukecavabarrett/pna Public

   Implementation of Principal Neighbourhood Aggregation for Graph Neural Networks in PyTorch, DGL and PyTorch Geometric

   Python 291 51

5. Saro00/DGN Public

   Implementation of Directional Graph Networks in PyTorch and DGL

   Python 102 13