Projects

Projects

Updated 9 months ago

https://github.com/atomicarchitects/equiformer • Science 36%

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

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

Updated 9 months ago

https://github.com/atomicarchitects/equiformer_v2 • Science 36%

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

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

ecosyste.ms

Data

Tools

Indexes

Applications

Experiments

Open Source Science

https://github.com/atomicarchitects/equiformer • Science 36%

https://github.com/atomicarchitects/equiformer_v2 • Science 36%