equivariance

There are 5 repositories under equivariance topic.

gcorso / DiffDock
Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
diffusion-models docking binding computational-biology equivariance machine-learning non-euclidean-geometry score-based-models
Language:Python 1315
neurreps / awesome-neural-geometry
A curated collection of resources and research related to the geometry of representations in the brain, deep networks, and beyond
deep-learning differential-geometry group-theory neural-computation neural-networks neuroscience papers awesome-list topology symmetry equivariance
1010
QUVA-Lab / e2cnn
E(2)-Equivariant CNNs Library for Pytorch
equivariance group-convolution cnns pytorch equivariant-network
Language:Python 650
HannesStark / EquiBind
EquiBind: geometric deep learning for fast predictions of the 3D structure in which a small molecule binds to a protein
geometry graph-neural-networks proteins protein-structure drug-discovery molecules equivariance
Language:Python 515
chaitjo / geometric-gnn-dojo
Geometric GNN Dojo provides unified implementations and experiments to explore the design space of Geometric Graph Neural Networks (ICML 2023)
geometric-deep-learning graph-neural-networks equivariance equivariant-networks geometric-graphs graph-isomorphism pytorch pytorch-geometric e3nn
Language:Jupyter Notebook 506
lucidrains / egnn-pytorch
Implementation of E(n)-Equivariant Graph Neural Networks, in Pytorch
artificial-intelligence deep-learning equivariance graph-neural-network
Language:Python 460
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
Language:Python 418
arneschneuing / DiffSBDD
A Euclidean diffusion model for structure-based drug design.
ddpm drug-design equivariance generative-model graph-neural-networks machine-learning
Language:Python 405
jw9730 / tokengt
[NeurIPS'22] Tokenized Graph Transformer (TokenGT), in PyTorch
equivariance gnn graph hypergraph pytorch self-attention transformer
Language:Python 333
igashov / DiffLinker
DiffLinker: Equivariant 3D-Conditional Diffusion Model for Molecular Linker Design
diffusion-models drug-design equivariance fragment-based-drug-discovery machine-learning molecular-linker
Language:Python 329
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
Language:Python 302
gcorso / torsional-diffusion
Implementation of Torsional Diffusion for Molecular Conformer Generation (NeurIPS 2022)
chemistry conformer-generator equivariance geometry machine-learning molecules torsion-angles neurips-2022
Language:Python 268
mfinzi / equivariant-MLP
A library for programmatically generating equivariant layers through constraint solving
equivariance deep-learning
Language:Jupyter Notebook 266
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 deep-learning equivariance transformers attention-mechanisms protein-folding molecules
Language:Python 264
octavian-ganea / equidock_public
EquiDock: geometric deep learning for fast rigid 3D protein-protein docking
geometry proteins protein-protein-interaction docking graphneuralnetwork deeplearning equivariant-network equivariance equivariant-representations drugdiscovery drug-discovery
Language:Roff 246
DEVIANT
abhi1kumar / DEVIANT
[ECCV 2022] Official PyTorch Code of DEVIANT: Depth Equivariant Network for Monocular 3D Object Detection
object-detection 3d-object-detection autonomous-driving eccv2022 equivariance monocular-3d-detection monocular-3d-localization one-stage-detector depth-equivariance eccv projective-manifold 3d-computer-vision eccv-2022 kitti-3d nuscenes waymo geometric-deep-learning autonomous-vehicle projective-geometry
Language:C++ 222
lucidrains / En-transformer
Implementation of E(n)-Transformer, which incorporates attention mechanisms into Welling's E(n)-Equivariant Graph Neural Network
artificial-intelligence deep-learning equivariance transformer attention-mechanism
Language:Python 219
senya-ashukha / simple-equivariant-gnn
A short and easy PyTorch implementation of E(n) Equivariant Graph Neural Networks
graph-neural-networks gnn equivariance pytorch egnn qm9 homo molecules neural-networks deep-learning deep-neural-networks
Language:Python 131
chao1224 / Geom3D
Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023
3d 3d-structures biology chemistry crystals drugs equivariance geometry group invariance molecules physics proteins symmetry material ai4science
Language:Python 119
lucidrains / lie-transformer-pytorch
Implementation of Lie Transformer, Equivariant Self-Attention, in Pytorch
artificial-intelligence deep-learning attention-mechanism equivariance transformer se3
Language:Python 91
stanford-futuredata / equivariant-transformers
Equivariant Transformer (ET) layers are image-to-image mappings that incorporate prior knowledge on invariances with respect to continuous transformations groups (ICML 2019). Paper: https://arxiv.org/abs/1901.11399
computer-vision convolutional-neural-networks equivariance invariance
Language:Jupyter Notebook 90
beabevi / ESAN
Equivariant Subgraph Aggregation Networks (ICLR 2022 Spotlight)
graph-neural-networks message-passing-neural-network invariance equivariance subgraph
Language:Python 87
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
equivariance group-convolution cnns time-series pytorch
Language:Jupyter Notebook 83
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 deep-learning equivariance protein-structure biomolecule
Language:Python 73
bluedream1121 / REKD
[CVPR 2022] Official PyTorch implementation of "Official Self-Supervised Equivariant Learning for Oriented Keypoint Detection"
cvpr equivariance pytorch
Language:Jupyter Notebook 65
jw9730 / hot
[NeurIPS'21] Higher-order Transformers for sets, graphs, and hypergraphs, in PyTorch
transformer graph equivariance pytorch self-attention gnn hypergraph
Language:Python 65
LPDI-EPFL / DrugFlow
Multi-domain Distribution Learning for De Novo Drug Design
drug-design equivariance generative-model protein-flexibility
Language:Python 64
hanjq17 / GMN
[ICLR 2022] The implementation for the paper "Equivariant Graph Mechanics Networks with Constraints".
graph-neural-networks constraints dynamics equivariance ai4science
Language:Python 60
luka-group / Lattice
[NAACL 2022] Robust (Controlled) Table-to-Text Generation with Structure-Aware Equivariance Learning.
attention-mechanism equivariance equivariant-network equivariant-representations table-to-text transformer
Language:Python 57
dwromero / att_gconvs
Code repository for the paper "Attentive Group Equivariant Convolutional Neural Networks" published at ICML 2020. https://arxiv.org/abs/2002.03830
equivariance group-convolution cnns attention pytorch
Language:Python 52
arnab39 / equiadapt
Library to make any existing neural network architecture equivariant
computer-vision deep-learning equivariance equivariant-neural-networks geometric-deep-learning image-classification image-segmentation nbody-simulation pointcloud-processing pointcloud-segmentation
Language:Jupyter Notebook 51
boqian-li / ETCH
ETCH: Generalizing Body Fitting to Clothed Humans via Equivariant Tightness
smpl smplx 3d-human-shape-and-pose-estimation human-pose-estimation human-registration 3d-garment equivariance equivariant-networks
50
PASSIONLab / OpenEquivariance
OpenEquivariance: a fast, open-source GPU JIT kernel generator for the Clebsch-Gordon Tensor Product.
cuda geometric-deep-learning graph-neural-networks sparse-tensors equivariance
Language:Python 47
UBCMOCCA / SymmetricRL
Repo for "On Learning Symmetric Locomotion"
reinforcement-learning locomotion symmetry equivariance computer-graphics
Language:Jupyter Notebook 47
beabevi / SUN
Understanding and Extending Subgraph GNNs by Rethinking their Symmetries (NeurIPS 2022 Oral)
subgraph graph-neural-networks equivariance message-passing-neural-network
Language:Python 41
AlgoMole / MolFM
Implementation for NeurIPS 2023 paper "Equivariant Flow Matching with Hybrid Probability Transport for 3D Molecule Generation"
3d-molecules-models equivariance flow-matching molecule-generation deep-generative-model geometric-deep-learning
Language:Python 33

equivariance

gcorso / DiffDock

neurreps / awesome-neural-geometry

QUVA-Lab / e2cnn

HannesStark / EquiBind

chaitjo / geometric-gnn-dojo

lucidrains / egnn-pytorch

QUVA-Lab / escnn

arneschneuing / DiffSBDD

jw9730 / tokengt

igashov / DiffLinker

lucidrains / se3-transformer-pytorch

gcorso / torsional-diffusion

mfinzi / equivariant-MLP

lucidrains / equiformer-pytorch

octavian-ganea / equidock_public

abhi1kumar / DEVIANT

lucidrains / En-transformer

senya-ashukha / simple-equivariant-gnn

chao1224 / Geom3D

lucidrains / lie-transformer-pytorch

stanford-futuredata / equivariant-transformers

beabevi / ESAN

dwromero / wavelet_networks

lucidrains / geometric-vector-perceptron

bluedream1121 / REKD

jw9730 / hot

LPDI-EPFL / DrugFlow

hanjq17 / GMN

luka-group / Lattice

dwromero / att_gconvs

arnab39 / equiadapt

boqian-li / ETCH

PASSIONLab / OpenEquivariance

UBCMOCCA / SymmetricRL

beabevi / SUN

AlgoMole / MolFM