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  1. alphaflow alphaflow Public

    AlphaFold Meets Flow Matching for Generating Protein Ensembles

    Python 389 51

  2. mdgen mdgen Public

    Generative modeling of molecular dynamics trajectories

    Python 125 14

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

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

    Python 255 50

  4. gcorso/DiffDock gcorso/DiffDock Public

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

    Python 1.1k 271