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https://github.com/HannesStark/EquiBind

EquiBind: geometric deep learning for fast predictions of the 3D structure in which a small molecule binds to a protein
https://github.com/HannesStark/EquiBind

drug-discovery equivariance geometry graph-neural-networks molecules protein-structure proteins

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EquiBind: geometric deep learning for fast predictions of the 3D structure in which a small molecule binds to a protein

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