State-of-the-art generative model for crystal structure prediction and de novo generation of inorganic crystals.
☆46Jan 14, 2026Updated 3 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:
- OMNI-P2x: A universal neural network potential for excited states☆12Mar 19, 2026Updated 3 weeks ago
- [npj Comp. Mat.] Higher-order equivariant neural networks for charge density prediction in materials☆71Feb 21, 2025Updated last year
- Machine-Learned Interatomic Potential eXploration (mlipx) is designed at BASF for evaluating machine-learned interatomic potentials (MLIP…☆101Jan 28, 2026Updated 2 months ago
- Official implementation of All Atom Diffusion Transformers (ICML 2025)☆301Mar 26, 2026Updated 2 weeks ago
- Wyckoff Transformer: Generation of Symmetric Crystals [ICML 2025]☆29Updated this week
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- CrysText: A Generative AI Approach for Text-Conditioned Crystal Structure Generation using LLM☆17Nov 3, 2025Updated 5 months ago
- JAX implementation of the NequIP neural network interatomic potential☆17Feb 24, 2026Updated last month
- A Generative Diffusion Model for Crystal Symmetry☆25Mar 20, 2026Updated 3 weeks ago
- Torch-native, batchable, atomistic simulations.☆444Updated this week
- MatID is a Python package for identifying and analyzing atomistic systems based on their structure.☆14Aug 26, 2025Updated 7 months ago
- train and use graph-based ML models of potential energy surfaces☆122Mar 9, 2026Updated last month
- ☆25Nov 1, 2024Updated last year
- Repository for the paper "Bayesian Model Selection of Lithium-Ion Battery Models via Bayesian Quadrature"☆14Apr 3, 2024Updated 2 years ago
- JeLLyFysh - a Python application for all-atom event-chain Monte Carlo. Version 1.0 (August 1st, 2019)☆16Jul 7, 2023Updated 2 years ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- GRACE models and gracemaker (as implemented in TensorPotential package)☆89Mar 6, 2026Updated last month
- ☆21Oct 8, 2025Updated 6 months ago
- Code for “From Molecules to Materials Pre-training Large Generalizable Models for Atomic Property Prediction”.☆62Oct 22, 2024Updated last year
- Quick Uncertainty and Entropy via STructural Similarity☆58Apr 1, 2026Updated last week
- Wyckoff Inorganic Crystal Generator Framework☆29Mar 7, 2025Updated last year
- Efficient visualization of particle data supporting several rendering engines.☆14Dec 10, 2021Updated 4 years ago
- Code for automated fitting of machine learned interatomic potentials.☆144Updated this week
- AIM (Adsorption Integrated Modules) is a collection of MATLAB based GUI modules for adsorption isotherm based fixed bed process modelling☆17Nov 14, 2025Updated 5 months ago
- A toolkit for visualizations in materials informatics.☆309Updated this week
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- A molecular simulation package integrating MLFFs in MOFs for DAC☆45Oct 17, 2025Updated 5 months ago
- Automatic Martini force field generator for small organic molecules (up to 25 heavy atoms), Martini 3 compatible☆36Mar 23, 2026Updated 3 weeks ago
- PhaseForge is a framework for high-throughput alloy phase diagram prediction using machine learning interatomic potentials (MLIPs) integr…☆64Updated this week
- Universal interatomic potentials for advanced materials modeling☆195Mar 31, 2026Updated 2 weeks ago
- ☆14Nov 2, 2022Updated 3 years ago
- Generative materials benchmarking metrics, inspired by guacamol and CDVAE.☆41Jun 1, 2024Updated last year
- ☆25Aug 20, 2025Updated 7 months ago
- Genarris is a random molecular crystal structure generator.☆30Mar 27, 2026Updated 2 weeks ago
- Code for Explainable Synthesizability Prediction of Inorganic Crystal Polymorphs using Large Language Models☆12Feb 19, 2025Updated last year
- Simple, predictable pricing with DigitalOcean hosting • AdAlways know what you'll pay with monthly caps and flat pricing. Enterprise-grade infrastructure trusted by 600k+ customers.
- GAIA automates the generation of reactive MLIP datasets for atomistic simulations.☆28Nov 20, 2025Updated 4 months ago
- Generate isosurface from density data☆14Mar 7, 2026Updated last month
- Equivariant machine learning model for predicting self-consistent Hubbard parameters☆18Mar 30, 2025Updated last year
- ☆299Mar 22, 2026Updated 3 weeks ago
- ☆18Sep 16, 2024Updated last year
- A RL framework for Crystal Structure Generation using GRPO☆42Feb 8, 2026Updated 2 months ago
- CrystalGRW: Generative Modeling of Crystal Structures with Targeted Properties via Geodesic Random Walks☆14Sep 22, 2025Updated 6 months ago