Implementation of E(n)-Equivariant Graph Neural Networks, in Pytorch
☆526Dec 6, 2024Updated last year
Alternatives and similar repositories for egnn-pytorch
Users that are interested in egnn-pytorch are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆538Feb 23, 2022Updated 4 years ago
- Implementation of E(n)-Transformer, which incorporates attention mechanisms into Welling's E(n)-Equivariant Graph Neural Network☆226Jun 2, 2024Updated last year
- Implementation of SE3-Transformers for Equivariant Self-Attention, in Pytorch. This specific repository is geared towards integration wit…☆329Aug 28, 2025Updated 9 months ago
- Implementation of Geometric Vector Perceptron, a simple circuit for 3d rotation equivariance for learning over large biomolecules, in Pyt…☆77Jun 8, 2021Updated 4 years ago
- code for the SE3 Transformers paper: https://arxiv.org/abs/2006.10503☆579Apr 3, 2026Updated last month
- Open source password manager - Proton Pass • AdSecurely store, share, and autofill your credentials with Proton Pass, the end-to-end encrypted password manager trusted by millions.
- Implementation of the Equiformer, SE3/E3 equivariant attention network that reaches new SOTA, and adopted for use by EquiFold for protein…☆289Dec 17, 2024Updated last year
- Implementation of Invariant Point Attention, used for coordinate refinement in the structure module of Alphafold2, as a standalone Pytorc…☆171Nov 25, 2022Updated 3 years ago
- A modular framework for neural networks with Euclidean symmetry☆1,254Feb 13, 2026Updated 3 months ago
- E(3) Steerable Graph Neural Network☆128Feb 10, 2023Updated 3 years ago
- Geometric Vector Perceptrons --- a rotation-equivariant GNN for learning from biomolecular structure☆324Nov 15, 2025Updated 6 months ago
- ☆564Jul 10, 2022Updated 3 years ago
- ATOM3D: tasks on molecules in three dimensions☆320Mar 2, 2023Updated 3 years ago
- A short and easy PyTorch implementation of E(n) Equivariant Graph Neural Networks☆141Jan 14, 2022Updated 4 years ago
- [ICLR 2023 Spotlight] Equiformer: Equivariant Graph Attention Transformer for 3D Atomistic Graphs☆282Feb 11, 2025Updated last year
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Training neural network potentials☆477Mar 31, 2026Updated last month
- GEOM: Energy-annotated molecular conformations☆247Apr 24, 2022Updated 4 years ago
- An all-atom protein structure dataset for machine learning.☆364Mar 16, 2024Updated 2 years ago
- Paper list for equivariant neural network☆1,091Aug 19, 2024Updated last year
- ☆248May 22, 2023Updated 3 years ago
- EquiDock: geometric deep learning for fast rigid 3D protein-protein docking☆257Sep 22, 2023Updated 2 years ago
- Official implementation of "Generating 3D Molecules for Target Protein Binding" [ICML2022 Long Presentation]☆112Jul 20, 2023Updated 2 years ago
- DiffLinker: Equivariant 3D-Conditional Diffusion Model for Molecular Linker Design☆387Apr 17, 2024Updated 2 years ago
- ☆130Sep 5, 2022Updated 3 years ago
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- Implementation for SE(3) diffusion model with application to protein backbone generation☆421Jul 3, 2023Updated 2 years ago
- [ICLR 2022] The implementation for the paper "Equivariant Graph Mechanics Networks with Constraints".☆65Jun 27, 2024Updated last year
- GearNet and Geometric Pretraining Methods for Protein Structure Representation Learning, ICLR'2023 (https://arxiv.org/abs/2203.06125)☆321Jun 13, 2025Updated 11 months ago
- Implementation of GeoDiff: a Geometric Diffusion Model for Molecular Conformation Generation (ICLR 2022).☆412May 17, 2023Updated 3 years ago
- Geometric Latent Diffusion Models for 3D Molecule Generation☆278Jun 9, 2023Updated 2 years ago
- End-To-End Molecular Dynamics (MD) Engine using PyTorch☆707Apr 21, 2026Updated last month
- DimeNet and DimeNet++ models, as proposed in "Directional Message Passing for Molecular Graphs" (ICLR 2020) and "Fast and Uncertainty-Awa…☆357Oct 3, 2023Updated 2 years ago
- Intrinsic-Extrinsic Convolution and Pooling for Learning on 3D Protein Structures☆49Jan 24, 2022Updated 4 years ago
- Implementation of Lie Transformer, Equivariant Self-Attention, in Pytorch☆97Feb 19, 2021Updated 5 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- [ICLR 2024] EquiformerV2: Improved Equivariant Transformer for Scaling to Higher-Degree Representations☆341Apr 10, 2026Updated last month
- EquiBind: geometric deep learning for fast predictions of the 3D structure in which a small molecule binds to a protein☆544Feb 19, 2025Updated last year
- MaSIF- Molecular surface interaction fingerprints. Geometric deep learning to decipher patterns in molecular surfaces.☆757Jun 19, 2024Updated last year
- Graphormer is a general-purpose deep learning backbone for molecular modeling.☆2,449Jun 7, 2024Updated last year
- A library for programmatically generating equivariant layers through constraint solving☆282May 8, 2023Updated 3 years ago
- Protein Graph Library☆1,172Updated this week
- GemNet model in PyTorch, as proposed in "GemNet: Universal Directional Graph Neural Networks for Molecules" (NeurIPS 2021)☆219Apr 26, 2023Updated 3 years ago