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34

180

mit

5

[ICLR'23 Spotlight] Equiformer: Equivariant Graph Attention Transformer for 3D Atomistic Graphs

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

Created 2023-02-28

3 commits to master branch, last one about a year ago

22

162

mit

5

[ICLR'24] EquiformerV2: Improved Equivariant Transformer for Scaling to Higher-Degree Representations

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

Created 2023-06-21

12 commits to main branch, last one about a month ago

4

28

unknown

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MatTen: Equivariant Graph Neural Nets for Tensorial Properties of Materials

gnns machine-learning elasticity-tensor mechanical-properties equivariant-graph-neural-network

Created 2023-07-03

59 commits to main branch, last one 7 days ago