12 results found Sort:

QUVA-Lab
e2cnn QUVA-Lab
75
614
other
18
E(2)-Equivariant CNNs Library for Pytorch
cnns pytorch equivariance group-convolution equivariant-network
Created 2019-11-20
189 commits to master branch, last one about a year ago
mzjb
DeepH-pack mzjb
51
254
lgpl-3.0
7
Deep neural networks for density functional theory Hamiltonian.
dft deeph julia physics pytorch hamiltonian equivariant-network ab-initio-simulations density-functional-theory first-principles-calculations
Created 2022-05-13
68 commits to main branch, last one 2 months ago
octavian-ganea
equidock_public octavian-ganea
58
234
mit
8
EquiDock: geometric deep learning for fast rigid 3D protein-protein docking
docking geometry proteins deeplearning equivariance drugdiscovery drug-discovery graphneuralnetwork equivariant-network equivariant-representations protein-protein-interaction
Created 2022-02-04
20 commits to main branch, last one 2 years ago
azminewasi
Awesome-Graph-Research-ICLR2024 azminewasi
6
83
mit
2
It is a comprehensive resource hub compiling all graph papers accepted at the International Conference on Learning Representations (ICLR) in 2024.
gnn iclr graph awesome iclr2024 awesome-list awesome-lists deep-learning grap-clustering graph-algorithms machine-learning graph-transformer equivariant-network supervised-learning deep-neural-networks graph-neural-network graph-neural-networks artificial-intelligence semisupervised-learning
Created 2024-02-10
13 commits to main branch, last one about a month ago
lsj2408
Gaunt-Tensor-Product lsj2408
2
58
apache-2.0
13
[ICLR 2024 Spotlight] Official Implementation of "Enabling Efficient Equivariant Operations in the Fourier Basis via Gaunt Tensor Products"
fft tensor-product euclidean-group equivariant-network geometric-deep-learning
Created 2024-01-18
8 commits to main branch, last one about a month ago
luka-group
Lattice luka-group
10
56
apache-2.0
4
[NAACL 2022] Robust (Controlled) Table-to-Text Generation with Structure-Aware Equivariance Learning.
transformer equivariance table-to-text attention-mechanism equivariant-network equivariant-representations
Created 2022-04-25
16 commits to main branch, last one 9 months ago
Graph-COM
ED-HNN Graph-COM
6
41
mit
4
[ICLR 2023] "Equivariant Hypergraph Diffusion Neural Operators" by Peihao Wang, Shenghao Yang, Yunyu Liu, Zhangyang Wang, Pan Li
graph-diffusion equivariant-network hypergraph-learning graph-neural-networks
Created 2022-07-01
18 commits to main branch, last one 4 months ago
HySonLab
Protein_Redesign HySonLab
5
39
mit
4
ProteinReDiff: Complex-based ligand-binding proteins redesign by equivariant diffusion-based generative models
protein ligand-binding protein-design diffusion-models equivariant-network protein-representation-learning
Created 2024-02-13
25 commits to main branch, last one about a month ago
yellowshippo
penn-neurips2022 yellowshippo
3
38
apache-2.0
2
PENN code for NeurIPS 2022
pde-solver deep-learning machine-learning equivariant-network physical-simulation graph-neural-network
Created 2022-10-05
6 commits to main branch, last one about a year ago
mzjb
xDeepH mzjb
4
33
lgpl-3.0
3
Extended DeepH (xDeepH) method for magnetic materials.
dft deeph physics pytorch hamiltonian equivariant-network ab-initio-simulations density-functional-theory first-principles-calculations
Created 2023-02-23
4 commits to main branch, last one about a year ago
jiaor17
3D-EMGP jiaor17
7
33
mit
2
[AAAI 2023] The implementation for the paper "Energy-Motivated Equivariant Pretraining for 3D Molecular Graphs"
ai4science score-matching pre-trained-model equivariant-network graph-neural-networks self-supervised-learning
Created 2022-05-26
20 commits to main branch, last one 3 months ago
20171130
Equivariant-NN-Zoo 20171130
4
31
mit
2
A library for building equivariant neural networks and a zoo of implementations & examples.
pytorch diffusion-models protein-structure molecular-modeling equivariant-network geometric-deep-learning score-based-generative-models
Created 2022-06-23
48 commits to master branch, last one 2 years ago