Generative framework for crystal structure prediction and de novo generation of inorganic crystals.
☆61Jun 30, 2026Updated 4 months ago
Alternatives and similar repositories for OMatG
Users that are interested in OMatG are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Lightweight diffusion transformer for crystalline materials discovery☆28Oct 4, 2026Updated 3 weeks ago
- Wyckoff Transformer: Generation of Symmetric Crystals [ICML 2025]☆34Updated this week
- Crystal Host-Guided Generation☆19Apr 24, 2025Updated last year
- Code for "Enhancing Materials Discovery with Valence Constrained Design in Generative Modeling"☆13Apr 2, 2026Updated 7 months ago
- deCIFer is a transformer-based model for crystal structure prediction, generating Crystallographic Information Files (CIFs) directly from…☆17Oct 2, 2026Updated last month
- 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.
- MatInvent: Accelerating inverse materials design using generative diffusion models with reinforcement learning☆54Sep 15, 2026Updated last month
- [Nature Communications] Official code for "Siamese Foundation Models for Crystal Structure Prediction".☆18May 13, 2026Updated 5 months ago
- 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
- Evaluation of universal machine learning force-fields https://doi.org/10.1021/acsmaterialslett.5c00093☆14Jul 8, 2025Updated last year
- ☆36Oct 24, 2025Updated last year
- Benchmark for generative models for materials☆57Sep 15, 2026Updated last month
- Python package containing a variety of distance functions for crystals, as well as evaluation metrics for crystal generation.☆34Oct 22, 2026Updated last week
- Crystal structure inpainting☆14Aug 10, 2026Updated 2 months ago
- CrysText: A Generative AI Approach for Text-Conditioned Crystal Structure Generation using LLM☆22Jul 14, 2026Updated 3 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.
- ☆28Aug 20, 2025Updated last year
- [NeurIPS 2023] The implementation for the paper "Crystal Structure Prediction by Joint Equivariant Diffusion"☆187Apr 14, 2025Updated last year
- 'Discovery and recovery of crystalline materials with property-conditioned transformers' Zoo☆20Oct 13, 2026Updated 2 weeks ago
- PhaseForge is a framework for high-throughput alloy phase diagram prediction using machine learning interatomic potentials (MLIPs) integr…☆76Apr 26, 2026Updated 6 months 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
- A python package for fast building amorphous solids and liquid mixtures from @materialsproject computed structures and machine learning i…☆11Apr 22, 2026Updated 6 months ago
- Official implementation of All Atom Diffusion Transformers (ICML 2025)☆323Apr 13, 2026Updated 6 months ago
- A RL framework for Crystal Structure Generation using GRPO☆74May 14, 2026Updated 5 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.
- 🌟 [NeurIPS '25 Spotlight] Fair and transparent benchmark of machine learning interatomic potentials (MLIPs), beyond basic error metrics …☆109Jul 2, 2026Updated 4 months ago
- Framework to evaluate UMLFFs on experimental data☆17Jul 25, 2026Updated 3 months ago
- Implementation for AtomMOF: All-Atom Flow Matching for MOF-Adsorbate Structure Prediction☆20Oct 7, 2026Updated 3 weeks ago
- Structural constraint integration in a generative model for the discovery of quantum materials☆35Oct 2, 2025Updated last year
- EquiformerV3: Scaling Efficient, Expressive, and General SE(3)-Equivariant Graph Attention Transformers☆128Apr 17, 2026Updated 6 months ago
- MOFSimBench: Evaluating universal machine learning interatomic potentials in metal-organic framework molecular modeling☆48Oct 14, 2026Updated 2 weeks ago
- Machine-Learned Interatomic Potential eXploration (mlipx) is designed at BASF for evaluating machine-learned interatomic potentials (MLIP…☆108Jan 28, 2026Updated 9 months ago
- diffusion models for material generation☆15May 14, 2026Updated 5 months ago
- [ICLR 2024] The implementation for the paper "Space Group Constrained Crystal Generation"☆75Feb 5, 2026Updated 8 months ago
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- A text-guided diffusion model for crystal structure generation☆82May 30, 2025Updated last year
- ASE framework for Monte Carlo simulations with machine learned interatomic potentials☆30Oct 16, 2026Updated 2 weeks ago
- Package for systematic insights into materials discovery models’ performance through standardized chemical cross-validation protocols☆13Nov 15, 2025Updated 11 months ago
- A Large Language Model of the CIF format for Crystal Structure Generation☆168Mar 16, 2026Updated 7 months ago
- GRACE models and gracemaker (as implemented in TensorPotential package)☆106Oct 17, 2026Updated 2 weeks ago
- MatTen: Equivariant Graph Neural Nets for Tensorial Properties of Materials☆45May 28, 2026Updated 5 months ago
- train and use graph-based ML models of potential energy surfaces☆131Sep 22, 2026Updated last month