"equivariant message passing" Papers

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Beyond Canonicalization: How Tensorial Messages Improve Equivariant Message Passing

Peter Lippmann, Gerrit Gerhartz, Roman Remme et al.

ICLR 2025arXiv:2405.15389
14
citations

EquiPocket: an E(3)-Equivariant Geometric Graph Neural Network for Ligand Binding Site Prediction

yang zhang, Zhewei Wei, Ye Yuan et al.

ICML 2024arXiv:2302.12177
34
citations