Implementation of E(n)-Equivariant Graph Neural Networks, in Pytorch
☆522Dec 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:
- ☆533Feb 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…☆327Aug 28, 2025Updated 7 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☆576Apr 3, 2026Updated 2 weeks ago
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- 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☆1,244Feb 13, 2026Updated 2 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☆321Nov 15, 2025Updated 5 months ago
- ☆558Jul 10, 2022Updated 3 years ago
- ATOM3D: tasks on molecules in three dimensions☆318Mar 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☆277Feb 11, 2025Updated last year
- Simple, predictable pricing with DigitalOcean hosting • AdAlways know what you'll pay with monthly caps and flat pricing. Enterprise-grade infrastructure trusted by 600k+ customers.
- Training neural network potentials☆472Mar 31, 2026Updated 2 weeks ago
- GEOM: Energy-annotated molecular conformations☆246Apr 24, 2022Updated 3 years ago
- An all-atom protein structure dataset for machine learning.☆363Mar 16, 2024Updated 2 years ago
- Paper list for equivariant neural network☆1,088Aug 19, 2024Updated last year
- ☆244May 22, 2023Updated 2 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☆372Apr 17, 2024Updated 2 years ago
- ☆130Sep 5, 2022Updated 3 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Implementation for SE(3) diffusion model with application to protein backbone generation☆418Jul 3, 2023Updated 2 years ago
- [ICLR 2022] The implementation for the paper "Equivariant Graph Mechanics Networks with Constraints".☆64Jun 27, 2024Updated last year
- GearNet and Geometric Pretraining Methods for Protein Structure Representation Learning, ICLR'2023 (https://arxiv.org/abs/2203.06125)☆318Jun 13, 2025Updated 10 months ago
- Implementation of GeoDiff: a Geometric Diffusion Model for Molecular Conformation Generation (ICLR 2022).☆407May 17, 2023Updated 2 years ago
- Geometric Latent Diffusion Models for 3D Molecule Generation☆276Jun 9, 2023Updated 2 years ago
- End-To-End Molecular Dynamics (MD) Engine using PyTorch☆696Jan 7, 2026Updated 3 months ago
- DimeNet and DimeNet++ models, as proposed in "Directional Message Passing for Molecular Graphs" (ICLR 2020) and "Fast and Uncertainty-Awa…☆353Oct 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
- Wordpress hosting with auto-scaling - Free Trial • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Geometric Vector Perceptron --- a rotation-equivariant GNN for learning from biomolecular structure☆163May 1, 2021Updated 4 years ago
- [ICLR 2024] EquiformerV2: Improved Equivariant Transformer for Scaling to Higher-Degree Representations☆337Apr 10, 2026Updated last week
- EquiBind: geometric deep learning for fast predictions of the 3D structure in which a small molecule binds to a protein☆542Feb 19, 2025Updated last year
- MaSIF- Molecular surface interaction fingerprints. Geometric deep learning to decipher patterns in molecular surfaces.☆742Jun 19, 2024Updated last year
- Graphormer is a general-purpose deep learning backbone for molecular modeling.☆2,442Jun 7, 2024Updated last year
- A library for programmatically generating equivariant layers through constraint solving☆281May 8, 2023Updated 2 years ago
- Protein Graph Library☆1,169Mar 20, 2026Updated 3 weeks ago