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atomicarchitects/equiformer

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

Owner
atomicarchitects (organization)
Stars
Stars: 290
Forks
Forks: 55
Language
Python
License
MIT
Created
2023
Topics
catalyst-designcomputational-chemistrydeep-learningdrug-discoveryequivariant-graph-neural-networkforce-fieldsinteratomic-potentialsmachine-learningmolecular-dynamicspytorch
Tier
Alpha (250 to 699 ★) What this tier means
View on GitHub

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