11 Repositories

### Python equivariance Libraries

##### EquiBind: Geometric Deep Learning for Drug Binding Structure Prediction

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

##### This repository contains the official code of the paper Equivariant Subgraph Aggregation Networks (ICLR 2022)

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

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

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

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 (CVPR2021)

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

##### Official code of the paper "ReDet: A Rotation-equivariant Detector for Aerial Object Detection" (CVPR 2021)

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

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

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

##### Implementation of E(n)-Transformer, which extends the ideas of Welling's E(n)-Equivariant Graph Neural Network to attention

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

##### Implementation of SE3-Transformers for Equivariant Self-Attention, in Pytorch.

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

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

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

##### 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

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