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Projects in Awesome Lists tagged with equivariance

A curated list of projects in awesome lists tagged with equivariance .

https://github.com/gcorso/diffdock

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

binding computational-biology diffusion-models docking equivariance machine-learning non-euclidean-geometry score-based-models

Last synced: 30 Sep 2024

https://github.com/gcorso/DiffDock

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

binding computational-biology diffusion-models docking equivariance machine-learning non-euclidean-geometry score-based-models

Last synced: 01 Aug 2024

https://github.com/QUVA-Lab/e2cnn

E(2)-Equivariant CNNs Library for Pytorch

cnns equivariance equivariant-network group-convolution pytorch

Last synced: 09 Aug 2024

https://github.com/HannesStark/EquiBind

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

drug-discovery equivariance geometry graph-neural-networks molecules protein-structure proteins

Last synced: 01 Aug 2024

https://github.com/chaitjo/geometric-gnn-dojo

Geometric GNN Dojo provides unified implementations and experiments to explore the design space of Geometric Graph Neural Networks.

e3nn equivariance equivariant-networks geometric-deep-learning geometric-graphs graph-isomorphism graph-neural-networks pytorch pytorch-geometric

Last synced: 02 Aug 2024

https://github.com/lucidrains/egnn-pytorch

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

artificial-intelligence deep-learning equivariance graph-neural-network

Last synced: 03 Oct 2024

https://github.com/QUVA-Lab/escnn

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

deep-learning equivariance geometric-deep-learning geometry invariant isometries pytorch rotations symmetries

Last synced: 02 Aug 2024

https://github.com/quva-lab/escnn

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

deep-learning equivariance geometric-deep-learning geometry invariant isometries pytorch rotations symmetries

Last synced: 30 Sep 2024

https://github.com/jw9730/tokengt

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

equivariance gnn graph hypergraph pytorch self-attention transformer

Last synced: 31 Jul 2024

https://github.com/lucidrains/se3-transformer-pytorch

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

artificial-intelligence attention-mechanism deep-learning equivariance se3 transformer

Last synced: 03 Oct 2024

https://github.com/mfinzi/equivariant-MLP

A library for programmatically generating equivariant layers through constraint solving

deep-learning equivariance

Last synced: 31 Jul 2024

https://github.com/gcorso/torsional-diffusion

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

chemistry conformer-generator equivariance geometry machine-learning molecules neurips-2022 torsion-angles

Last synced: 05 Aug 2024

https://github.com/lucidrains/equiformer-pytorch

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

artificial-intelligence attention-mechanisms deep-learning equivariance molecules protein-folding transformers

Last synced: 03 Oct 2024

https://github.com/lucidrains/en-transformer

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

artificial-intelligence attention-mechanism deep-learning equivariance transformer

Last synced: 03 Oct 2024

https://github.com/lucidrains/lie-transformer-pytorch

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

artificial-intelligence attention-mechanism deep-learning equivariance se3 transformer

Last synced: 03 Oct 2024

https://github.com/dwromero/wavelet_networks

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

cnns equivariance group-convolution pytorch time-series

Last synced: 02 Aug 2024

https://github.com/lucidrains/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

artficial-intelligence biomolecule deep-learning equivariance protein-structure

Last synced: 03 Oct 2024

https://github.com/jw9730/hot

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

equivariance gnn graph hypergraph pytorch self-attention transformer

Last synced: 31 Jul 2024

https://github.com/mshakerinava/Equivariant-Networks-for-Pixelized-Spheres

Authors' implementation of the paper "Equivariant Networks for Pixelized Spheres" published at ICML 2021.

deep-learning equivariance icml2021 representation-learning

Last synced: 31 Jul 2024

https://github.com/ccr-cheng/InfGCN-pytorch

Official implementation of the NeurIPS 23 spotlight paper of ♾️InfGCN♾️.

electron-density equivariance equivariant-network graphon neural-operator

Last synced: 28 Aug 2024

https://github.com/facundoq/tmeasures

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).

equivariance invariance keras measure neural-networks python python3 pytorch tensorflow variance

Last synced: 28 Sep 2024