A flow-matching model conditioned on a data-derived 'approximate energy' generates protein ensembles matching MD simulations better than AlphaFlow and STR2STR on ATLAS.
Science 2023, 379 (6637), 1123-1130
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P2DFlow: A Protein Ensemble Generative Model with SE(3) Flow Matching
A flow-matching model conditioned on a data-derived 'approximate energy' generates protein ensembles matching MD simulations better than AlphaFlow and STR2STR on ATLAS.