Equivariance Python Packages

openequivariance

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

e2cnn

E(2)-Equivariant CNNs Library for Pytorch

en-transformer

Implementation of E(n)-Transformer, which incorporates attention mechanisms into Welling's E(n)-Equivariant Graph Neural Network

escnn

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

se3-transformer-pytorch

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

egnn-pytorch

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

lie-transformer-pytorch

Implementation of Lie Transformer, Equivariant Self-Attention, in Pytorch

equiformer-pytorch

Equiformer - SE3/E3 Graph Attention Transformer for Molecules and Proteins

emlp

A library for programmatically generating equivariant layers through constraint solving

geometric-vector-perceptron

Implementation of Geometric Vector Perceptron, a simple circuit for 3d rotation equivariance for learning over large biomolecules, in Pytorch. Idea proposed and accepted at ICLR 2021

geom3d

Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023

tmeasures

Invariance, Same-Equivariance and other measures for Neural Networks. Support for PyTorch (now) and TensorFlow (coming).

openequivariance-extjax

JAX C++ Extension for OpenEquivariance

equiadapt

Library to make any existing neural network architecture equivariant

harmonyx

Fully-Differentiable Tensor Spherical Harmonics in JAX