Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking

A curated collection of resources and research related to the geometry of representations in the brain, deep networks, and beyond

E(2)-Equivariant CNNs Library for Pytorch

EquiBind: geometric deep learning for fast predictions of the 3D structure in which a small molecule binds to a protein

Geometric GNN Dojo provides unified implementations and experiments to explore the design space of Geometric Graph Neural Networks (ICML 2023)

Equivariant Steerable CNNs Library for Pytorch https://quva-lab.github.io/escnn/

A Euclidean diffusion model for structure-based drug design.

DiffLinker: Equivariant 3D-Conditional Diffusion Model for Molecular Linker Design

[NeurIPS'22] Tokenized Graph Transformer (TokenGT), in PyTorch

A library for programmatically generating equivariant layers through constraint solving

Implementation of Torsional Diffusion for Molecular Conformer Generation (NeurIPS 2022)

EquiDock: geometric deep learning for fast rigid 3D protein-protein docking

[ECCV 2022] Official PyTorch Code of DEVIANT: Depth Equivariant Network for Monocular 3D Object Detection

Multi-domain Distribution Learning for De Novo Drug Design

A short and easy PyTorch implementation of E(n) Equivariant Graph Neural Networks

[ICCV 2025 Highlight] ETCH: Generalizing Body Fitting to Clothed Humans via Equivariant Tightness

OpenEquivariance: a fast, open-source GPU JIT kernel generator for the Clebsch-Gordon Tensor Product.

Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023

A Local Frame-based Atomistic Potential

Equivariant Transformer (ET) layers are image-to-image mappings that incorporate prior knowledge on invariances with respect to continuous transformations groups (ICML 2019). Paper: https://arxiv.org/abs/1901.11399

Equivariant Subgraph Aggregation Networks (ICLR 2022 Spotlight)

Code repository of the paper "Wavelet Networks: Scale-Translation Equivariant Learning From Raw Time-Series, TMLR" https://arxiv.org/abs/2006.05259

[NeurIPS'21] Higher-order Transformers for sets, graphs, and hypergraphs, in PyTorch

[CVPR 2022] Official PyTorch implementation of "Official Self-Supervised Equivariant Learning for Oriented Keypoint Detection"

[ICLR 2022] The implementation for the paper "Equivariant Graph Mechanics Networks with Constraints".

Library to make any existing neural network architecture equivariant

[NAACL 2022] Robust (Controlled) Table-to-Text Generation with Structure-Aware Equivariance Learning.

Repo for "On Learning Symmetric Locomotion"

Clifford-Steerable Convolutional Neural Networks [ICML'24]

Code repository for the paper "Attentive Group Equivariant Convolutional Neural Networks" published at ICML 2020. https://arxiv.org/abs/2002.03830