Implementation of the Equiformer, SE3/E3 equivariant attention network that reaches new SOTA, and adopted for use by EquiFold for protein folding
☆287Dec 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:
- [ICLR 2023 Spotlight] Equiformer: Equivariant Graph Attention Transformer for 3D Atomistic Graphs☆276Feb 11, 2025Updated last year
- [ICLR 2024] EquiformerV2: Improved Equivariant Transformer for Scaling to Higher-Degree Representations☆330Feb 11, 2025Updated last year
- Unofficial implementation of GotenNet, new SOTA 3d equivariant transformer, in Pytorch☆67Apr 7, 2025Updated 11 months ago
- Official code repository for EquiFold: Protein Structure Prediction with a Novel Coarse-Grained Structure Representation☆127Jan 8, 2023Updated 3 years ago
- code for the SE3 Transformers paper: https://arxiv.org/abs/2006.10503☆574Jul 10, 2023Updated 2 years ago
- Wordpress hosting with auto-scaling on Cloudways • AdFully Managed hosting built for WordPress-powered businesses that need reliable, auto-scalable hosting. Cloudways SafeUpdates now available.
- [AAAI 2023] The implementation for the paper "Energy-Motivated Equivariant Pretraining for 3D Molecular Graphs"☆33Sep 14, 2024Updated last year
- A modular framework for neural networks with Euclidean symmetry☆1,228Feb 13, 2026Updated last month
- Implementation for SE(3) diffusion model with application to protein backbone generation☆415Jul 3, 2023Updated 2 years ago
- Joint Sequence-Structure Generation of Nucleic Acid and Protein Complexes with SE(3)-Discrete Diffusion☆60May 6, 2024Updated last year
- 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
- ☆97Oct 15, 2024Updated last year
- ☆526Feb 23, 2022Updated 4 years ago
- ☆34Feb 12, 2025Updated last year
- Database of Interacting Protein Structures (DIPS)☆105Jan 26, 2024Updated 2 years ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click and start building anything your business needs.
- Implementation of Torsional Diffusion for Molecular Conformer Generation (NeurIPS 2022)☆280Feb 10, 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 3 years ago
- Geometric super-resolution for molecular geometries☆42Jun 15, 2022Updated 3 years ago
- Training neural network potentials☆470Mar 17, 2026Updated last week
- ☆61Apr 10, 2022Updated 3 years ago
- Implementation of the algorithm detailed in paper "Evolutionary design of molecules based on deep learning and a genetic algorithm"☆24Dec 15, 2023Updated 2 years ago
- Rotamer Density Estimator is an Unsupervised Learner of the Effect of Mutations on Protein-Protein Interaction (ICLR 2023)☆63Jun 17, 2024Updated last year
- Intrinsic-Extrinsic Convolution and Pooling for Learning on 3D Protein Structures☆49Jan 24, 2022Updated 4 years ago
- ✌🏻 Antigen-Specific Antibody Design and Optimization with Diffusion-Based Generative Models for Protein Structures (NeurIPS 2022)☆356Jun 29, 2023Updated 2 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.
- EquiBind: geometric deep learning for fast predictions of the 3D structure in which a small molecule binds to a protein☆541Feb 19, 2025Updated last year
- Geometric Vector Perceptrons --- a rotation-equivariant GNN for learning from biomolecular structure☆319Nov 15, 2025Updated 4 months ago
- List of papers on protein binding site prediction☆11Aug 11, 2023Updated 2 years ago
- Benchmarking framework for protein representation learning. Includes a large number of pre-training and downstream task datasets, models …☆267Apr 27, 2025Updated 11 months ago
- Generative Models for Graph-Based Protein Design☆286Dec 24, 2020Updated 5 years ago
- Official implementation of pre-training via denoising for TorchMD-NET☆99Mar 2, 2023Updated 3 years ago
- Implementation of Graph Transformer in Pytorch, for potential use in replicating Alphafold2☆238Jun 22, 2023Updated 2 years ago
- FoldFlow: SE(3)-Stochastic Flow Matching for Protein Backbone Generation☆278Dec 10, 2024Updated last year
- An all-atom protein structure dataset for machine learning.☆360Mar 16, 2024Updated 2 years ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click and start building anything your business needs.
- Diffusion models of protein structure; trigonometry and attention are all you need!☆565Dec 12, 2023Updated 2 years ago
- Implementation of FlowSite and HarmonicFlow from the paper "Harmonic Self-Conditioned Flow Matching for Multi-Ligand Docking and Binding …☆105Jul 30, 2024Updated last year
- End-To-End Molecular Dynamics (MD) Engine using PyTorch☆691Jan 7, 2026Updated 2 months ago
- My own attempt at a long context genomics model, leveraging recent advances in long context attention modeling (Flash Attention + other h…☆54Jul 2, 2023Updated 2 years ago
- ATOM3D: tasks on molecules in three dimensions☆318Mar 2, 2023Updated 3 years ago
- [ICLR 2025] GotenNet: Rethinking Efficient 3D Equivariant Graph Neural Networks☆63Mar 5, 2026Updated 3 weeks ago
- ☆556Jul 10, 2022Updated 3 years ago