EquiformerV3: Scaling Efficient, Expressive, and General SE(3)-Equivariant Graph Attention Transformers

Yi-Lun Liao, Alexander J. Hoffman, Sabrina C. Shen +3

As $SE(3)$-equivariant graph neural networks mature as a core tool for 3D atomistic modeling, improving their efficiency, expressivity, and physical consistency has become a centra…