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

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

List of Geometric GNNs for 3D atomic systems

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

Implementation of GotenNet, new SOTA 3d equivariant transformer, in Pytorch

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

Symmetry-preserving & Multiresolution learning to solve NP-hard problems in Operations Research

Augmenting a training dataset of the generative diffusion model for molecular docking with artificial binding pockets

📡 🌀 A platform to use speckle patterns to describe atmospheric turbulence

This repository is the official accompaniment to A General Framework for Robust G-Invariance in G-Equivariant Networks (submitted, NeurIPS 2023)

Torch implementation of Marc Finzi's Equivariant MLP