Official implementation of All Atom Diffusion Transformers (ICML 2025)
☆323Apr 13, 2026Updated 6 months ago
Alternatives and similar repositories for all-atom-diffusion-transformer
Users that are interested in all-atom-diffusion-transformer are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Code for “FlowMM Generating Materials with Riemannian Flow Matching” and "FlowLLM: Flow Matching for Material Generation with Large Langu…☆185Oct 29, 2024Updated 2 years ago
- [NeurIPS 2024] Official implementation of the Efficiently Scaled Attention Interatomic Potential☆60Sep 26, 2025Updated last year
- ORB forcefield models from Orbital Materials☆625Sep 26, 2026Updated last month
- [NeurIPS 2023] The implementation for the paper "Crystal Structure Prediction by Joint Equivariant Diffusion"☆187Apr 14, 2025Updated last year
- EquiformerV3: Scaling Efficient, Expressive, and General SE(3)-Equivariant Graph Attention Transformers☆128Apr 17, 2026Updated 6 months 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.
- Generative framework for crystal structure prediction and de novo generation of inorganic crystals.☆61Jun 30, 2026Updated 4 months ago
- Official code implementation of *Towards Unified and Lossless Latent Space for 3D Molecular Latent Diffusion Modeling* (NeurIPS 2025).☆18Nov 5, 2025Updated 11 months ago
- FAIR Chemistry's library of machine learning methods for chemistry☆2,338Updated this week
- ☆31Sep 29, 2026Updated last month
- Proteina is a new large-scale flow-based protein backbone generator that utilizes hierarchical fold class labels for conditioning and rel…☆281Jul 24, 2025Updated last year
- [ICLR 2024] The implementation for the paper "Space Group Constrained Crystal Generation"☆75Feb 5, 2026Updated 8 months ago
- [NeurIPS 2024] source code for "A Recipe for Charge Density Prediction"☆42Dec 17, 2024Updated last year
- SO3krates and Universal Pairwise Force Field for Molecular Simulation☆237Apr 17, 2026Updated 6 months ago
- An evaluation framework for machine learning models simulating high-throughput materials discovery.☆258Updated this week
- 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.
- Official implementation of MatterGen -- a generative model for inorganic materials design across the periodic table that can be fine-tune…☆1,858Aug 27, 2026Updated 2 months ago
- ☆576Jul 10, 2022Updated 4 years ago
- MatterSim: A deep learning atomistic model across elements, temperatures and pressures.☆608Updated this week
- Crystal Host-Guided Generation☆19Apr 24, 2025Updated last year
- Code for “From Molecules to Materials Pre-training Large Generalizable Models for Atomic Property Prediction”.☆62Oct 22, 2024Updated 2 years ago
- Source code for Equivariant Flow Matching for Molecular Conformer Generation☆70Jul 29, 2025Updated last year
- Geometric Latent Diffusion Models for 3D Molecule Generation☆277Jun 9, 2023Updated 3 years ago
- Code for “Speculative Sampling For Faster Molecular Dynamics”.☆15Jul 28, 2026Updated 3 months ago
- ☆16Jul 21, 2026Updated 3 months ago
- End-to-end encrypted email - Proton Mail • AdSpecial offer: 40% Off Yearly / 80% Off First Month. All Proton services are open source and independently audited for security.
- A python library for calculating materials properties from the PES☆157Updated this week
- Torch-native, batchable, atomistic simulations.☆505Updated this week
- Reference implementation of "Ewald-based Long-Range Message Passing for Molecular Graphs" (ICML 2023)☆52May 4, 2026Updated 5 months ago
- An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]☆380Aug 14, 2024Updated 2 years ago
- AI for crystal materials☆205Oct 26, 2026Updated last week
- Implementation for MOFFlow: Flow Matching for Structure Prediction of Metal-Organic Frameworks☆28Aug 28, 2025Updated last year
- OpenEquivariance: a fast, open-source GPU JIT kernel generator for the Clebsch-Gordon Tensor Product.☆172Oct 25, 2026Updated last week
- Codebase of paper "Structure Language Models for Protein Conformation Generation" (ICLR'25)☆87May 27, 2026Updated 5 months ago
- Foundation Model for Materials - FM4M☆322Sep 17, 2026Updated last month
- 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.
- 🌟 [NeurIPS '25 Spotlight] Fair and transparent benchmark of machine learning interatomic potentials (MLIPs), beyond basic error metrics …☆109Jul 2, 2026Updated 4 months ago
- Equivariant Diffusion for Crystal Structure Prediction (ICML 2024)☆31Aug 20, 2024Updated 2 years ago
- A scalable architecture for generating 3D molecules atom-by-atom☆15Sep 6, 2025Updated last year
- [ICLR 2023 Spotlight] Equiformer: Equivariant Graph Attention Transformer for 3D Atomistic Graphs☆290Feb 11, 2025Updated last year
- Integrating AtomisticSkills into Agentic IDEs (Cursor, Claude Code, Codex, Google Antigravity, Hermes Agent, etc)☆186Updated this week
- Implementation for SE(3) diffusion model with application to protein backbone generation☆427Jul 3, 2023Updated 3 years ago
- Genie 3 is a fast, all-atom SE(3)-equivariant diffusion model for protein design. It achieves state-of-the-art performance on uncondition…☆140Oct 12, 2026Updated 3 weeks ago