31 results found Sort:

gcorso
DiffDock gcorso
269
1.1k
mit
18
Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
binding docking equivariance diffusion-models machine-learning score-based-models computational-biology non-euclidean-geometry
Created 2022-10-04
93 commits to main branch, last one 3 months ago
neurreps
awesome-neural-geometry neurreps
62
933
unknown
29
A curated collection of resources and research related to the geometry of representations in the brain, deep networks, and beyond
papers symmetry topology awesome-list equivariance group-theory neuroscience deep-learning neural-networks neural-computation differential-geometry
Created 2022-07-31
126 commits to main branch, last one 2 months ago
QUVA-Lab
e2cnn QUVA-Lab
75
612
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
HannesStark
EquiBind HannesStark
109
484
mit
8
EquiBind: geometric deep learning for fast predictions of the 3D structure in which a small molecule binds to a protein
geometry proteins molecules equivariance drug-discovery protein-structure graph-neural-networks
Created 2021-10-26
36 commits to main branch, last one 2 years ago
chaitjo
geometric-gnn-dojo chaitjo
44
480
mit
10
Geometric GNN Dojo provides unified implementations and experiments to explore the design space of Geometric Graph Neural Networks.
e3nn pytorch equivariance geometric-graphs graph-isomorphism pytorch-geometric equivariant-networks graph-neural-networks geometric-deep-learning
Created 2023-01-21
26 commits to main branch, last one about a year ago
lucidrains
egnn-pytorch lucidrains
73
438
mit
8
Implementation of E(n)-Equivariant Graph Neural Networks, in Pytorch
equivariance deep-learning graph-neural-network artificial-intelligence
Created 2021-02-26
166 commits to main branch, last one 15 days ago
QUVA-Lab
escnn QUVA-Lab
48
375
other
19
Equivariant Steerable CNNs Library for Pytorch https://quva-lab.github.io/escnn/
pytorch geometry invariant rotations isometries symmetries equivariance deep-learning geometric-deep-learning
Created 2022-03-16
247 commits to master branch, last one about a month ago
arneschneuing
DiffSBDD arneschneuing
82
366
mit
14
A Euclidean diffusion model for structure-based drug design.
ddpm drug-design equivariance generative-model machine-learning graph-neural-networks
Created 2022-09-29
38 commits to main branch, last one 2 months ago
jw9730
tokengt jw9730
45
323
mit
9
[NeurIPS'22] Tokenized Graph Transformer (TokenGT), in PyTorch
gnn graph pytorch hypergraph transformer equivariance self-attention
Created 2022-06-29
32 commits to main branch, last one about a year ago
igashov
DiffLinker igashov
45
309
mit
6
DiffLinker: Equivariant 3D-Conditional Diffusion Model for Molecular Linker Design
drug-design equivariance diffusion-models machine-learning molecular-linker fragment-based-drug-discovery
Created 2022-09-28
48 commits to main branch, last one 8 months ago
lucidrains
se3-transformer-pytorch lucidrains
24
266
mit
10
Implementation of SE3-Transformers for Equivariant Self-Attention, in Pytorch. This specific repository is geared towards integration with eventual Alphafold2 replication.
se3 transformer equivariance deep-learning attention-mechanism artificial-intelligence
Created 2021-01-09
173 commits to main branch, last one 2 years ago
gcorso
torsional-diffusion gcorso
46
258
mit
5
Implementation of Torsional Diffusion for Molecular Conformer Generation (NeurIPS 2022)
geometry chemistry molecules equivariance neurips-2022 torsion-angles machine-learning conformer-generator
Created 2022-06-01
4 commits to master branch, last one about a year ago
mfinzi
equivariant-MLP mfinzi
22
257
mit
10
A library for programmatically generating equivariant layers through constraint solving
equivariance deep-learning
Created 2020-09-11
329 commits to master branch, last one about a year ago
lucidrains
equiformer-pytorch lucidrains
24
252
mit
13
Implementation of the Equiformer, SE3/E3 equivariant attention network that reaches new SOTA, and adopted for use by EquiFold for protein folding
molecules equivariance transformers deep-learning protein-folding attention-mechanisms artificial-intelligence
Created 2022-10-29
172 commits to main branch, last one 4 days 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
lucidrains
En-transformer lucidrains
29
214
mit
5
Implementation of E(n)-Transformer, which incorporates attention mechanisms into Welling's E(n)-Equivariant Graph Neural Network
transformer equivariance deep-learning attention-mechanism artificial-intelligence
Created 2021-02-27
111 commits to main branch, last one 6 months ago
abhi1kumar
DEVIANT abhi1kumar
29
206
mit
6
[ECCV 2022] Official PyTorch Code of DEVIANT: Depth Equivariant Network for Monocular 3D Object Detection
eccv waymo eccv2022 kitti-3d nuscenes eccv-2022 equivariance object-detection 3d-computer-vision autonomous-driving autonomous-vehicle depth-equivariance one-stage-detector 3d-object-detection projective-geometry projective-manifold monocular-3d-detection geometric-deep-learning monocular-3d-localization
Created 2022-07-04
39 commits to main branch, last one about a month ago
senya-ashukha
simple-equivariant-gnn senya-ashukha
12
128
apache-2.0
3
A short and easy PyTorch implementation of E(n) Equivariant Graph Neural Networks
gnn qm9 egnn homo pytorch molecules equivariance deep-learning neural-networks deep-neural-networks graph-neural-networks
Created 2022-01-13
20 commits to main branch, last one 2 years ago
chao1224
Geom3D chao1224
13
116
mit
2
Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023
3d drugs group biology physics crystals geometry material proteins symmetry chemistry molecules ai4science invariance equivariance 3d-structures
Created 2023-06-07
9 commits to main branch, last one about a year ago
lucidrains
lie-transformer-pytorch lucidrains
10
88
mit
7
Implementation of Lie Transformer, Equivariant Self-Attention, in Pytorch
se3 transformer equivariance deep-learning attention-mechanism artificial-intelligence
Created 2020-12-22
55 commits to main branch, last one 3 years ago
beabevi
ESAN beabevi
7
86
mit
5
Equivariant Subgraph Aggregation Networks (ICLR 2022 Spotlight)
subgraph invariance equivariance graph-neural-networks message-passing-neural-network
Created 2022-01-30
4 commits to master branch, last one about a year ago
dwromero
wavelet_networks dwromero
5
81
mit
10
Code repository of the paper "Wavelet Networks: Scale-Translation Equivariant Learning From Raw Time-Series, TMLR" https://arxiv.org/abs/2006.05259
cnns pytorch time-series equivariance group-convolution
Created 2020-06-09
7 commits to master branch, last one 11 months ago
lucidrains
geometric-vector-perceptron lucidrains
14
71
mit
5
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
biomolecule equivariance deep-learning protein-structure artficial-intelligence
Created 2021-01-13
94 commits to main branch, last one 3 years ago
bluedream1121
REKD bluedream1121
6
60
mit
4
[CVPR 2022] Official PyTorch implementation of "Official Self-Supervised Equivariant Learning for Oriented Keypoint Detection"
cvpr pytorch equivariance
Created 2022-04-21
4 commits to main branch, last one about a year ago
jw9730
hot jw9730
9
60
unknown
1
[NeurIPS'21] Higher-order Transformers for sets, graphs, and hypergraphs, in PyTorch
gnn graph pytorch hypergraph transformer equivariance self-attention
Created 2021-10-27
52 commits to main branch, last one 2 years ago
hanjq17
GMN hanjq17
7
58
mit
1
[ICLR 2022] The implementation for the paper "Equivariant Graph Mechanics Networks with Constraints".
dynamics ai4science constraints equivariance graph-neural-networks
Created 2022-02-22
21 commits to main branch, last one 5 months 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 8 months ago
arnab39
equiadapt arnab39
4
50
mit
5
Library to make any existing neural network architecture equivariant
equivariance deep-learning computer-vision nbody-simulation image-segmentation image-classification pointcloud-processing geometric-deep-learning pointcloud-segmentation equivariant-neural-networks
Created 2023-12-26
295 commits to main branch, last one 6 months ago
beabevi
SUN beabevi
2
41
mit
3
Understanding and Extending Subgraph GNNs by Rethinking their Symmetries (NeurIPS 2022 Oral)
subgraph equivariance graph-neural-networks message-passing-neural-network
Created 2022-10-09
7 commits to master branch, last one about a year ago
jiaqingxie
Theories-of-Graph-Neural-Networks jiaqingxie
0
27
unknown
2
A List of Papers on Theoretical Foundations of Graph Neural Networks
gnn ode pde np-hard topology invariance biochemistry equivariance optimization expressive-power combinatorial-optimization
Created 2023-06-17
36 commits to main branch, last one about a year ago