Search Results - RepositoryStats

43

472

mit

10

Geometric GNN Dojo provides unified implementations and experiments to explore the design space of Geometric Graph Neural Networks.

e3nn pytorch equivariance geometric-graphs graph-isomorphism pytorch-geometric equivariant-networks graph-neural-networks geometric-deep-learning

Created 2023-01-21

26 commits to main branch, last one about a year ago

targetdiff guanjq

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219

unknown

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The official implementation of 3D Equivariant Diffusion for Target-Aware Molecule Generation and Affinity Prediction (ICLR 2023)

iclr2023 drug-design ai-for-science diffusion-models equivariant-networks

Created 2023-03-02

20 commits to main branch, last one about a year ago

geometric-gnns AlexDuvalinho

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93

unknown

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List of Geometric GNNs for 3D atomic systems

datasets ai4science coding-resource equivariant-networks graph-neural-networks geometric-deep-learning molecules-and-materials

Created 2023-08-31

37 commits to main branch, last one 8 months ago

equiformer-diffusion lucidrains

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56

mit

12

Implementation of Denoising Diffusion for protein design, but using the new Equiformer (successor to SE3 Transformers) with some additional improvements

deep-learning protein-design denoising-diffusion attention-mechanisms equivariant-networks artificial-intelligence

Created 2022-12-27

2 commits to main branch, last one about a year ago