Alternatives and similar repositories for egnn-pytorch:

Users that are interested in egnn-pytorch are comparing it to the libraries listed below

• vgsatorras / egnn
  ☆470Updated 3 years ago
• FabianFuchsML / se3-transformer-public
  code for the SE3 Transformers paper: https://arxiv.org/abs/2006.10503
  ☆516Updated last year
• MinkaiXu / GeoDiff
  Implementation of GeoDiff: a Geometric Diffusion Model for Molecular Conformation Generation (ICLR 2022).
  ☆355Updated last year
• gasteigerjo / dimenet
  DimeNet and DimeNet++ models, as proposed in "Directional Message Passing for Molecular Graphs" (ICLR 2020) and "Fast and Uncertainty-Awa…
  ☆317Updated last year
• lucidrains / En-transformer
  Implementation of E(n)-Transformer, which incorporates attention mechanisms into Welling's E(n)-Equivariant Graph Neural Network
  ☆220Updated 10 months ago
• atomicarchitects / equiformer
  [ICLR 2023 Spotlight] Equiformer: Equivariant Graph Attention Transformer for 3D Atomistic Graphs
  ☆234Updated 2 months ago
• ehoogeboom / e3_diffusion_for_molecules
  ☆488Updated 2 years ago
• lucidrains / se3-transformer-pytorch
  Implementation of SE3-Transformers for Equivariant Self-Attention, in Pytorch. This specific repository is geared towards integration wit…
  ☆282Updated 2 years ago
• gcorso / torsional-diffusion
  Implementation of Torsional Diffusion for Molecular Conformer Generation (NeurIPS 2022)
  ☆259Updated last year
• drorlab / atom3d
  ATOM3D: tasks on molecules in three dimensions
  ☆307Updated 2 years ago
• torchmd / torchmd-net
  Training neural network potentials
  ☆394Updated this week
• lsj2408 / Transformer-M
  [ICLR 2023] One Transformer Can Understand Both 2D & 3D Molecular Data (official implementation)
  ☆209Updated 2 years ago
• wengong-jin / icml18-jtnn
  Junction Tree Variational Autoencoder for Molecular Graph Generation (ICML 2018)
  ☆523Updated 2 years ago
• RobDHess / Steerable-E3-GNN
  E(3) Steerable Graph Neural Network
  ☆116Updated 2 years ago
• drorlab / gvp-pytorch
  Geometric Vector Perceptrons --- a rotation-equivariant GNN for learning from biomolecular structure
  ☆272Updated 2 years ago
• lucidrains / equiformer-pytorch
  Implementation of the Equiformer, SE3/E3 equivariant attention network that reaches new SOTA, and adopted for use by EquiFold for protein…
  ☆265Updated 4 months ago
• wengong-jin / hgraph2graph
  Hierarchical Generation of Molecular Graphs using Structural Motifs
  ☆396Updated 2 years ago
• atomicarchitects / equiformer_v2
  [ICLR 2024] EquiformerV2: Improved Equivariant Transformer for Scaling to Higher-Degree Representations
  ☆261Updated 2 months ago
• tencent-ailab / grover
  This is a Pytorch implementation of the paper: Self-Supervised Graph Transformer on Large-Scale Molecular Data
  ☆344Updated 2 years ago
• igashov / DiffLinker
  DiffLinker: Equivariant 3D-Conditional Diffusion Model for Molecular Linker Design
  ☆331Updated last year
• TUM-DAML / gemnet_pytorch
  GemNet model in PyTorch, as proposed in "GemNet: Universal Directional Graph Neural Networks for Molecules" (NeurIPS 2021)
  ☆196Updated last year
• cvignac / DiGress
  code for the paper "DiGress: Discrete Denoising diffusion for graph generation"
  ☆417Updated 2 weeks ago
• lucidrains / graph-transformer-pytorch
  Implementation of Graph Transformer in Pytorch, for potential use in replicating Alphafold2
  ☆217Updated last year
• e3nn / e3nn
  A modular framework for neural networks with Euclidean symmetry
  ☆1,058Updated last week
• ardigen / MAT
  The official implementation of the Molecule Attention Transformer.
  ☆245Updated 5 years ago
• yuyangw / MolCLR
  Implementation of MolCLR: "Molecular Contrastive Learning of Representations via Graph Neural Networks" in PyG.
  ☆276Updated last year
• jingraham / neurips19-graph-protein-design
  Generative Models for Graph-Based Protein Design
  ☆275Updated 4 years ago
• arneschneuing / DiffSBDD
  A Euclidean diffusion model for structure-based drug design.
  ☆408Updated last month
• MinkaiXu / GeoLDM
  Geometric Latent Diffusion Models for 3D Molecule Generation
  ☆245Updated last year
• learningmatter-mit / geom
  GEOM: Energy-annotated molecular conformations
  ☆221Updated 2 years ago