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1. alphaflow alphaflow Public

   AlphaFold Meets Flow Matching for Generating Protein Ensembles

   Python 391 51

2. mdgen mdgen Public

   Generative modeling of molecular dynamics trajectories

   Python 127 14

3. drorlab/gvp-pytorch drorlab/gvp-pytorch Public

   Geometric Vector Perceptrons --- a rotation-equivariant GNN for learning from biomolecular structure

   Python 256 50

4. gcorso/DiffDock gcorso/DiffDock Public

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

   Python 1.1k 272