https://github.com/atomicarchitects/equiformer

[ICLR 2023 Spotlight] Equiformer: Equivariant Graph Attention Transformer for 3D Atomistic Graphs
https://github.com/atomicarchitects/equiformer

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

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

• Host: GitHub
• URL: https://github.com/atomicarchitects/equiformer
• Owner: atomicarchitects
• License: mit
• Created: 2023-02-28T00:21:30.000Z (about 2 years ago)
• Default Branch: master
• Last Pushed: 2025-02-11T19:52:36.000Z (3 months ago)
• Last Synced: 2025-02-11T20:36:08.687Z (3 months ago)
• Topics: 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
• Language: Python
• Homepage: https://arxiv.org/abs/2206.11990
• Size: 3.95 MB
• Stars: 226
• Watchers: 5
• Forks: 43
• Open Issues: 10
• Metadata Files:
  • Readme: README.md
  • License: LICENSE

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