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  1. alphaflow alphaflow Public

    AlphaFold Meets Flow Matching for Generating Protein Ensembles

    Python 237 26

  2. gcorso/DiffDock gcorso/DiffDock Public

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

    Python 916 227

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

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

    Python 214 45

  4. gcorso/torsional-diffusion gcorso/torsional-diffusion Public

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

    Python 234 42