5 results found Sort:

chaitjo
geometric-gnn-dojo chaitjo
44
480
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
guanjq
targetdiff guanjq
38
225
unknown
5
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
AlexDuvalinho
geometric-gnns AlexDuvalinho
7
94
unknown
1
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 9 months ago
lucidrains
equiformer-diffusion lucidrains
4
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
lucidrains
gotennet-pytorch lucidrains
1
39
mit
3
Implementation of GotenNet, new SOTA 3d equivariant transformer, in Pytorch
transformers deep-learning attention-mechanism equivariant-networks artificial-intelligence
Created 2024-12-12
57 commits to main branch, last one a day ago