[ICLR'23 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
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Updated
Jun 21, 2023 - Python