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

A Local Frame-based Atomistic Potential

The Transformational Measures (TM) library allows neural network researchers to evaluate the invariance and equivariance of their models with respect to a set of transformations. Support for Pytorch (current) and Tensorflow/Keras (coming).

Lorentz-equivariant Transformer based on Lorentz Local Canonicalization (Spinner et al. 2025)

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

Multi-domain Distribution Learning for De Novo Drug Design

Implementation of SE3-Transformers for Equivariant Self-Attention, in Pytorch. This specific repository is geared towards integration with eventual Alphafold2 replication.

Practical Equivariances via Relational Conditional Neural Processes (Huang et al., NeurIPS 2023)

A Euclidean diffusion model for structure-based drug design.

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

AdS-GNN - a Conformally Equivariant Graph Neural Network

Implicit Convolutional Kernels for Steerable CNNs [NeurIPS'23]

A PyTorch port of EMLP JAX library (Finzi et al. 2021)

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

Script to generate STL of spherical harmonics

PaiNN in jax

Code for "Effect of equivariance on training dynamics"

Implementation of the Equiformer, SE3/E3 equivariant attention network that reaches new SOTA, and adopted for use by EquiFold for protein folding

Implementation of E(n)-Equivariant Graph Neural Networks, in Pytorch

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