[ICLR 2023 Spotlight] Equiformer: Equivariant Graph Attention Transformer for 3D Atomistic Graphs
☆288Feb 11, 2025Updated last year
Alternatives and similar repositories for equiformer
Users that are interested in equiformer 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 2024] EquiformerV2: Improved Equivariant Transformer for Scaling to Higher-Degree Representations☆348Apr 10, 2026Updated 4 months ago
- Implementation of the Equiformer, SE3/E3 equivariant attention network that reaches new SOTA, and adopted for use by EquiFold for protein…☆290Dec 17, 2024Updated last year
- A modular framework for neural networks with Euclidean symmetry☆1,273Feb 13, 2026Updated 5 months ago
- [TMLR 2024 J2C Certification] Generalizing Denoising to Non-Equilibrium Structures Improves Equivariant Force Fields☆43Feb 11, 2025Updated last year
- Implementation of FlowSite and HarmonicFlow from the paper "Harmonic Self-Conditioned Flow Matching for Multi-Ligand Docking and Binding …☆106Jul 30, 2024Updated 2 years ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Training neural network potentials☆480Jul 13, 2026Updated 3 weeks ago
- A library for building equivariant neural networks and a zoo of implementations & examples.☆31Aug 9, 2022Updated 4 years ago
- NequIP is a code for building E(3)-equivariant interatomic potentials☆951Updated this week
- E(3) Steerable Graph Neural Network☆128Feb 10, 2023Updated 3 years ago
- Official implementation of pre-training via denoising for TorchMD-NET☆99Mar 2, 2023Updated 3 years ago
- GemNet model in PyTorch, as proposed in "GemNet: Universal Directional Graph Neural Networks for Molecules" (NeurIPS 2021)☆222Apr 26, 2023Updated 3 years ago
- [ICLR 2024 Spotlight] Official Implementation of "Enabling Efficient Equivariant Operations in the Fourier Basis via Gaunt Tensor Product…☆74Nov 2, 2024Updated last year
- jax library for E3 Equivariant Neural Networks☆233Apr 1, 2026Updated 4 months ago
- ☆545Feb 23, 2022Updated 4 years ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- ☆61Apr 10, 2022Updated 4 years ago
- cuEquivariance is a math library that is a collective of low-level primitives and tensor ops to accelerate widely-used models, like DiffD…☆420Updated this week
- Implementation for SE(3) diffusion model with application to protein backbone generation☆423Jul 3, 2023Updated 3 years ago
- Neural Network Force Field based on PyTorch☆293Jul 13, 2026Updated 3 weeks ago
- E3x is a JAX library for constructing efficient E(3)-equivariant deep learning architectures built on top of Flax.☆126Jul 30, 2026Updated last week
- [NeurIPS 2024] Official implementation of the Efficiently Scaled Attention Interatomic Potential☆61Sep 26, 2025Updated 10 months ago
- A collection of QM data for training potential functions☆199Feb 25, 2026Updated 5 months ago
- Implementation of Torsional Diffusion for Molecular Conformer Generation (NeurIPS 2022)☆288Feb 10, 2024Updated 2 years ago
- Alchemical machine learning interatomic potentials☆36Nov 8, 2024Updated last year
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- code for the SE3 Transformers paper: https://arxiv.org/abs/2006.10503☆581Apr 3, 2026Updated 4 months ago
- Higher order equivariant graph neural networks for 3D point clouds☆49Jun 27, 2023Updated 3 years ago
- Implementation of Denoising Diffusion for protein design, but using the new Equiformer (successor to SE3 Transformers) with some addition…☆56Dec 27, 2022Updated 3 years ago
- MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.☆1,310Updated this week
- ☆28Jan 11, 2024Updated 2 years ago
- AI-powered ab initio biomolecular dynamics simulation☆577Feb 18, 2025Updated last year
- Allegro is a code for building highly scalable E(3)-equivariant interatomic potentials☆495May 29, 2026Updated 2 months ago
- Joint Sequence-Structure Generation of Nucleic Acid and Protein Complexes with SE(3)-Discrete Diffusion☆59May 6, 2024Updated 2 years ago
- Official implementation of All Atom Diffusion Transformers (ICML 2025)☆314Apr 13, 2026Updated 3 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.
- Fast protein backbone generation with SE(3) flow matching.☆326Jul 19, 2024Updated 2 years ago
- Implementation of E(n)-Equivariant Graph Neural Networks, in Pytorch☆532Dec 6, 2024Updated last year
- ☆572Jul 10, 2022Updated 4 years ago
- Code for “FlowMM Generating Materials with Riemannian Flow Matching” and "FlowLLM: Flow Matching for Material Generation with Large Langu…☆187Oct 29, 2024Updated last year
- Geometric Latent Diffusion Models for 3D Molecule Generation☆274Jun 9, 2023Updated 3 years ago
- ☆12Nov 22, 2024Updated last year
- DimeNet and DimeNet++ models, as proposed in "Directional Message Passing for Molecular Graphs" (ICLR 2020) and "Fast and Uncertainty-Awa…☆359Oct 3, 2023Updated 2 years ago