29 citations · 31 across the 6 of their papers we have counts for
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cs.LG2024
Generating Highly Designable Proteins with Geometric Algebra Flow Matching
Simon Wagner, Leif Seute, Vsevolod Viliuga +3
We introduce a generative model for protein backbone design utilizing geometric products and higher order message passing. In particular, we propose Clifford Frame Attention (CFA),…
physics.chem-ph2024★ 29 cited
Grappa -- A Machine Learned Molecular Mechanics Force Field
Leif Seute, Eric Hartmann, Jan Stühmer +1
Simulating large molecular systems over long timescales requires force fields that are both accurate and efficient. In recent years, E(3) equivariant neural networks have lifted th…