#

equiformer

Here are 4 public repositories matching this topic...

atomicarchitects / equiformer_v2

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

machine-learning deep-learning molecular-dynamics pytorch computational-chemistry computational-physics drug-discovery materials-science force-fields geometric-deep-learning graph-neural-networks interatomic-potentials ai-for-science e3nn equivariant-neural-networks equivariant-graph-neural-network catalyst-design equiformer

Updated Apr 10, 2026
Python

atomicarchitects / equiformer

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

machine-learning deep-learning molecular-dynamics pytorch computational-chemistry drug-discovery materials-science force-fields geometric-deep-learning graph-neural-networks interatomic-potentials ai-for-science e3nn equivariant-neural-networks equivariant-graph-neural-network catalyst-design equiformer

Updated Feb 11, 2025
Python

atomicarchitects / equiformer_v3

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

machine-learning deep-learning molecular-dynamics pytorch drug-discovery force-field materials-science geometric-deep-learning e3nn machine-learning-interatomic-potential equivariant-neural-networks equivariant-graph-neural-network material-discovery catalyst-design mlip equiformer

Updated Apr 17, 2026
Python

mghourchian86-creator / equiformer_v3

Implement SE(3)-equivariant graph attention transformers for efficient and expressive molecular modeling in PyTorch.

machine-learning deep-learning molecular-dynamics pytorch drug-discovery materials-science geometric-deep-learning e3nn machine-learning-interatomic-potential equivariant-neural-networks equivariant-graph-neural-network material-discovery catalyst-design mlip equiformer

Updated Aug 30, 2026

Add this topic to your repo

To associate your repository with the equiformer topic, visit your repo's landing page and select "manage topics."