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

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

MatTen: Equivariant Graph Neural Nets for Tensorial Properties of Materials

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

Generalizing Denoising to Non-Equilibrium Structures Improves Equivariant Force Fields

Universal Ensemble-Embedding Graph Neural Network for Direct Prediction of Optical Spectra from Crystal Structures

E(3)-Equivariant Mesh Neural Networks (AISTATS 2024)

Deep Learning Potential with Symmetry Invariant and Equivariant Descriptor

Employing Molecular Conformations for Ligand-based Virtual Screening with Equivariant Graph Neural Network and Deep Multiple Instance Learning

TESGNN: 3D Temporal Equivariant Scene Graph Neural Networks

OM-Diff: Inverse-design of organometallic catalysts with guided equivariant denoising diffusion

Implementation of Geometrically Equivariant Graph Neural Networks (GNNs) in PyTorch.

Implementation in Pytorch of the article "E(n) Equivariant Graph Neural Network" - Satorras et al.