Pinned

1. DiffDock DiffDock Public

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

   Python 924 229

2. torsional-diffusion torsional-diffusion Public

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

   Python 234 43

3. particle-guidance particle-guidance Public

   Implementation of Particle Guidance: non-I.I.D. Diverse Sampling with Diffusion Models

   Python 56 2

4. lukecavabarrett/pna lukecavabarrett/pna Public

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

   Python 329 55

5. NeuroSEED NeuroSEED Public

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

   Python 66 16

6. Saro00/DGN Saro00/DGN Public

   Implementation of Directional Graph Networks in PyTorch and DGL

   Python 111 13