30 results found Sort:

263
1.1k
mit
18
Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
Created 2022-10-04
93 commits to main branch, last one 2 months ago
A curated collection of resources and research related to the geometry of representations in the brain, deep networks, and beyond
Created 2022-07-31
126 commits to main branch, last one about a month ago
74
602
other
18
E(2)-Equivariant CNNs Library for Pytorch
Created 2019-11-20
189 commits to master branch, last one about a year ago
EquiBind: geometric deep learning for fast predictions of the 3D structure in which a small molecule binds to a protein
Created 2021-10-26
36 commits to main branch, last one 2 years ago
Geometric GNN Dojo provides unified implementations and experiments to explore the design space of Geometric Graph Neural Networks.
Created 2023-01-21
26 commits to main branch, last one about a year ago
Implementation of E(n)-Equivariant Graph Neural Networks, in Pytorch
Created 2021-02-26
163 commits to main branch, last one 11 months ago
47
359
other
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Equivariant Steerable CNNs Library for Pytorch https://quva-lab.github.io/escnn/
Created 2022-03-16
247 commits to master branch, last one 6 days ago
A Euclidean diffusion model for structure-based drug design.
Created 2022-09-29
38 commits to main branch, last one 23 days ago
45
317
mit
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[NeurIPS'22] Tokenized Graph Transformer (TokenGT), in PyTorch
Created 2022-06-29
32 commits to main branch, last one about a year ago
DiffLinker: Equivariant 3D-Conditional Diffusion Model for Molecular Linker Design
Created 2022-09-28
48 commits to main branch, last one 6 months ago
Implementation of SE3-Transformers for Equivariant Self-Attention, in Pytorch. This specific repository is geared towards integration with eventual Alphafold2 replication.
Created 2021-01-09
173 commits to main branch, last one about a year ago
Implementation of Torsional Diffusion for Molecular Conformer Generation (NeurIPS 2022)
Created 2022-06-01
4 commits to master branch, last one about a year ago
A library for programmatically generating equivariant layers through constraint solving
Created 2020-09-11
329 commits to master branch, last one about a year ago
Implementation of the Equiformer, SE3/E3 equivariant attention network that reaches new SOTA, and adopted for use by EquiFold for protein folding
Created 2022-10-29
167 commits to main branch, last one 9 months ago
EquiDock: geometric deep learning for fast rigid 3D protein-protein docking
Created 2022-02-04
20 commits to main branch, last one 2 years ago
Implementation of E(n)-Transformer, which incorporates attention mechanisms into Welling's E(n)-Equivariant Graph Neural Network
Created 2021-02-27
111 commits to main branch, last one 5 months ago
A short and easy PyTorch implementation of E(n) Equivariant Graph Neural Networks
Created 2022-01-13
20 commits to main branch, last one 2 years ago
10
111
mit
2
Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023
Created 2023-06-07
9 commits to main branch, last one about a year ago
Implementation of Lie Transformer, Equivariant Self-Attention, in Pytorch
Created 2020-12-22
55 commits to main branch, last one 3 years ago
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85
mit
5
Equivariant Subgraph Aggregation Networks (ICLR 2022 Spotlight)
Created 2022-01-30
4 commits to master branch, last one about a year ago
Code repository of the paper "Wavelet Networks: Scale-Translation Equivariant Learning From Raw Time-Series, TMLR" https://arxiv.org/abs/2006.05259
Created 2020-06-09
7 commits to master branch, last one 9 months ago
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
Created 2021-01-13
94 commits to main branch, last one 3 years ago
8
60
unknown
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[NeurIPS'21] Higher-order Transformers for sets, graphs, and hypergraphs, in PyTorch
Created 2021-10-27
52 commits to main branch, last one about a year ago
[CVPR 2022] Official PyTorch implementation of "Official Self-Supervised Equivariant Learning for Oriented Keypoint Detection"
Created 2022-04-21
4 commits to main branch, last one about a year ago
7
58
mit
1
[ICLR 2022] The implementation for the paper "Equivariant Graph Mechanics Networks with Constraints".
Created 2022-02-22
21 commits to main branch, last one 4 months ago
10
55
apache-2.0
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[NAACL 2022] Robust (Controlled) Table-to-Text Generation with Structure-Aware Equivariance Learning.
Created 2022-04-25
16 commits to main branch, last one 7 months ago
Library to make any existing neural network architecture equivariant
Created 2023-12-26
295 commits to main branch, last one 5 months ago
2
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mit
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Understanding and Extending Subgraph GNNs by Rethinking their Symmetries (NeurIPS 2022 Oral)
Created 2022-10-09
7 commits to master branch, last one about a year ago
3
26
mit
2
[NeurIPS'23 Spotlight] Learning Probabilistic Symmetrization for Architecture Agnostic Equivariance (LPS), in PyTorch
Created 2023-05-28
38 commits to main branch, last one 6 months ago