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Search results for python equivariance
equivariance
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29 search results found
Diffdock
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686
Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
E2cnn
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534
E(2)-Equivariant CNNs Library for Pytorch
Egnn Pytorch
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340
Implementation of E(n)-Equivariant Graph Neural Networks, in Pytorch
Equibind
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321
EquiBind: geometric deep learning for fast predictions of the 3D structure in which a small molecule binds to a protein
Escnn
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251
Equivariant Steerable CNNs Library for Pytorch https://quva-lab.github.io/escnn/
Diffsbdd
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227
A Euclidean diffusion model for structure-based drug design.
Difflinker
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215
DiffLinker: Equivariant 3D-Conditional Diffusion Model for Molecular Linker Design
Tokengt
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209
[NeurIPS'22] Tokenized Graph Transformer (TokenGT), in PyTorch
Equiformer Pytorch
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207
Implementation of the Equiformer, SE3/E3 equivariant attention network that reaches new SOTA, and adopted for use by EquiFold for protein folding
Se3 Transformer Pytorch
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205
Implementation of SE3-Transformers for Equivariant Self-Attention, in Pytorch. This specific repository is geared towards integration with eventual Alphafold2 replication.
En Transformer
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192
Implementation of E(n)-Transformer, which incorporates attention mechanisms into Welling's E(n)-Equivariant Graph Neural Network
Torsional Diffusion
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183
Implementation of Torsional Diffusion for Molecular Conformer Generation (NeurIPS 2022)
Geom3d
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75
Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023
Esan
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61
Equivariant Subgraph Aggregation Networks (ICLR 2022 Spotlight)
Simple Equivariant Gnn
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59
A short and easy PyTorch implementation of E(n) Equivariant Graph Neural Networks
Gmn
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53
[ICLR 2022] The implementation for the paper "Equivariant Graph Mechanics Networks with Constraints".
Lie Transformer Pytorch
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49
Implementation of Lie Transformer, Equivariant Self-Attention, in Pytorch
Lattice
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45
[NAACL 2022] Robust (Controlled) Table-to-Text Generation with Structure-Aware Equivariance Learning.
Hot
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40
[NeurIPS'21] Higher-order Transformers for sets, graphs, and hypergraphs, in PyTorch
Geometric Vector Perceptron
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29
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
Sun
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24
Understanding and Extending Subgraph GNNs by Rethinking their Symmetries (NeurIPS 2022 Oral)
Locs
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19
Official source code for "Roto-translated Local Coordinate Frames For Interacting Dynamical Systems". In NeurIPS 2021
Ehnn
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13
[ECCV'22] Equivariant Hypergraph Neural Networks, in PyTorch
Pdo Econvs
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8
Official implementation of the ICML 2020 paper "PDO-eConvs: Partial Differential Operator Based Equivariant Convolutions".
Lgn Autoencoder
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7
Lorentz group equivariant autoencoders based on Lorentz Group Network
Segnn Jax
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5
Steerable E(3) GNN in jax
Vn Transformer
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5
Implementation of VectorNeuron-Transformer paper
Equippis
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5
E(3) equivariant graph neural network for PPI site prediction
Sgrl
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5
[ICML 2023 Oral] Official environments and implementations for "Subequivariant Graph Reinforcement Learning in 3D Environments"
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