Implementation of the Equiformer, SE3/E3 equivariant attention network that reaches new SOTA, and adopted for use by EquiFold for protein folding
☆290Dec 17, 2024Updated last year
Alternatives and similar repositories for equiformer-pytorch
Users that are interested in equiformer-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:
- Implementation of E(n)-Transformer, which incorporates attention mechanisms into Welling's E(n)-Equivariant Graph Neural Network☆226Jun 2, 2024Updated 2 years ago
- [ICLR 2023 Spotlight] Equiformer: Equivariant Graph Attention Transformer for 3D Atomistic Graphs☆290Feb 11, 2025Updated last year
- [ICLR 2024] EquiformerV2: Improved Equivariant Transformer for Scaling to Higher-Degree Representations☆354Apr 10, 2026Updated 6 months ago
- Implementation of SE3-Transformers for Equivariant Self-Attention, in Pytorch. This specific repository is geared towards integration wit…☆334Aug 28, 2025Updated last year
- Implementation of Denoising Diffusion for protein design, but using the new Equiformer (successor to SE3 Transformers) with some addition…☆57Dec 27, 2022Updated 3 years ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- Implementation of Chroma, generative models of protein using DDPM and GNNs, in Pytorch☆159Dec 27, 2022Updated 3 years ago
- Implementation of Invariant Point Attention, used for coordinate refinement in the structure module of Alphafold2, as a standalone Pytorc…☆173Nov 25, 2022Updated 3 years ago
- Official code repository for EquiFold: Protein Structure Prediction with a Novel Coarse-Grained Structure Representation☆131Jan 8, 2023Updated 3 years ago
- Unofficial implementation of GotenNet, new SOTA 3d equivariant transformer, in Pytorch☆68Apr 7, 2025Updated last year
- Implementation of E(n)-Equivariant Graph Neural Networks, in Pytorch☆535Dec 6, 2024Updated last year
- code for the SE3 Transformers paper: https://arxiv.org/abs/2006.10503☆585Apr 3, 2026Updated 7 months ago
- A modular framework for neural networks with Euclidean symmetry☆1,294Feb 13, 2026Updated 8 months ago
- Implementation for SE(3) diffusion model with application to protein backbone generation☆427Jul 3, 2023Updated 3 years ago
- [AAAI 2023] The implementation for the paper "Energy-Motivated Equivariant Pretraining for 3D Molecular Graphs"☆33Sep 14, 2024Updated 2 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Training neural network potentials☆486Oct 19, 2026Updated 2 weeks ago
- Implementation of Geometric Vector Perceptron, a simple circuit for 3d rotation equivariance for learning over large biomolecules, in Pyt…☆77Jun 8, 2021Updated 5 years ago
- Joint Sequence-Structure Generation of Nucleic Acid and Protein Complexes with SE(3)-Discrete Diffusion☆59May 6, 2024Updated 2 years ago
- Generative Models for Graph-Based Protein Design☆292Dec 24, 2020Updated 5 years ago
- Implementation of Torsional Diffusion for Molecular Conformer Generation (NeurIPS 2022)☆289Feb 10, 2024Updated 2 years ago
- ☆551Feb 23, 2022Updated 4 years ago
- EigenFold: Generative Protein Structure Prediction with Diffusion Models☆179Apr 6, 2023Updated 3 years ago
- ☆576Jul 10, 2022Updated 4 years ago
- ☆101Oct 15, 2024Updated 2 years ago
- 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.
- Geometric super-resolution for molecular geometries☆43Jun 15, 2022Updated 4 years ago
- Rotamer Density Estimator is an Unsupervised Learner of the Effect of Mutations on Protein-Protein Interaction (ICLR 2023)☆63Jun 17, 2024Updated 2 years ago
- My own attempt at a long context genomics model, leveraging recent advances in long context attention modeling (Flash Attention + other h…☆55Jul 2, 2023Updated 3 years ago
- ☆35Feb 12, 2025Updated last year
- Diffusion models of protein structure; trigonometry and attention are all you need!☆568Sep 9, 2026Updated last month
- EquiBind: geometric deep learning for fast predictions of the 3D structure in which a small molecule binds to a protein☆555Feb 19, 2025Updated last year
- ATOM3D: tasks on molecules in three dimensions☆319Mar 2, 2023Updated 3 years ago
- FoldFlow: SE(3)-Stochastic Flow Matching for Protein Backbone Generation☆300Dec 10, 2024Updated last year
- Geometric Vector Perceptrons --- a rotation-equivariant GNN for learning from biomolecular structure☆329Nov 15, 2025Updated 11 months ago
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- Geometric GNN Dojo provides unified implementations and experiments to explore the design space of Geometric Graph Neural Networks (ICML …☆526Oct 9, 2025Updated last year
- A Transformer made of Rotation-equivariant Attention using Vector Neurons☆103Aug 1, 2023Updated 3 years ago
- Implementation of FlowSite and HarmonicFlow from the paper "Harmonic Self-Conditioned Flow Matching for Multi-Ligand Docking and Binding …☆108Jul 30, 2024Updated 2 years ago
- Implementation of Graph Transformer in Pytorch, for potential use in replicating Alphafold2☆241Jun 22, 2023Updated 3 years ago
- End-To-End Molecular Dynamics (MD) Engine using PyTorch☆721Apr 21, 2026Updated 6 months ago
- An all-atom protein structure dataset for machine learning.☆365Mar 16, 2024Updated 2 years ago
- Implementation of the DDPM + IPA (invariant point attention) for protein generation, as outlined in the paper "Protein Structure and Sequ…☆89Jul 25, 2022Updated 4 years ago