Python Equivariance Resources

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

Equivariant Subgraph Aggregation Networks (ESAN) This repository contains the official code of the paper Equivariant Subgraph Aggregation Networks (IC

Simple implementation of Equivariant GNN A short implementation of E(n) Equivariant Graph Neural Networks for HOMO energy prediction. Just 50 lines of

Residual Pathway Priors for Soft Equivariance Constraints This repo contains the implementation and the experiments for the paper Residual Pathway Pri

PiCIE: Unsupervised Semantic Segmentation using Invariance and Equivariance in Clustering Jang Hyun Cho1, Utkarsh Mall2, Kavita Bala2, Bharath Harihar

ReDet: A Rotation-equivariant Detector for Aerial Object Detection ReDet: A Rotation-equivariant Detector for Aerial Object Detection (CVPR2021), Jiam

EGNN - Pytorch Implementation of E(n)-Equivariant Graph Neural Networks, in Pytorch. May be eventually used for Alphafold2 replication. This

E(n)-Equivariant Transformer (wip) Implementation of E(n)-Equivariant Transformer, which extends the ideas from Welling's E(n)-Equivariant G

SE3 Transformer - Pytorch Implementation of SE3-Transformers for Equivariant Self-Attention, in Pytorch. May be needed for replicating Alphafold2 resu

Lie Transformer - Pytorch (wip) Implementation of Lie Transformer, Equivariant Self-Attention, in Pytorch. Only the SE3 version will be present in thi

Geometric Vector Perceptron Implementation of Geometric Vector Perceptron, a simple circuit with 3d rotation equivariance for learning over large biom