equivariant-networks topic

List of Geometric GNNs for 3D atomic systems

AlexDuvalinho

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

chaitjo

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

lucidrains

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

guanjq

Official implementation of E(n)-equivariant Graph Neural Cellular Automata

gengala