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gcorso/DiffDock
gcorso/DiffDock PublicImplementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
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drorlab/gvp-pytorch
drorlab/gvp-pytorch PublicGeometric Vector Perceptrons --- a rotation-equivariant GNN for learning from biomolecular structure
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gcorso/torsional-diffusion
gcorso/torsional-diffusion PublicImplementation of Torsional Diffusion for Molecular Conformer Generation (NeurIPS 2022)
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