equivariant-graph-neural-network topic

MatTen: Equivariant Graph Neural Nets for Tensorial Properties of Materials

wengroup

Implementation of the Confidence Bootstrapping procedure for protein-ligand docking.

LDeng0205

[ICLR 2023 Spotlight] Equiformer: Equivariant Graph Attention Transformer for 3D Atomistic Graphs

atomicarchitects

[ICLR 2024] EquiformerV2: Improved Equivariant Transformer for Scaling to Higher-Degree Representations

atomicarchitects

[ArXiv 2024] Generalizing Denoising to Non-Equilibrium Structures Improves Equivariant Force Fields

atomicarchitects