Search Results for author: Puck van Gerwen

Found 1 papers, 0 papers with code

EquiReact: An equivariant neural network for chemical reactions

no code implementations13 Dec 2023 Puck van Gerwen, Ksenia R. Briling, Charlotte Bunne, Vignesh Ram Somnath, Ruben Laplaza, Andreas Krause, Clemence Corminboeuf

Equivariant neural networks have considerably improved the accuracy and data-efficiency of predictions of molecular properties.

Property Prediction

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