MatterGen
Computing Applications (HPC) MIT (Free)
About
Diffusion-model generation of novel inorganic crystal structures. Supports unconditional and property-conditioned sampling (magnetic density, band gap, bulk modulus, chemical system, space group) returning parsed formula, lattice, volume, and CIF per crystal.
Skills
MCP skills available for MatterGen, callable from AI workflows and the Paramus chat:
- Changelog — Get the MatterGen module version history and changes.
- Generate — Generate novel inorganic crystal structures with Microsoft MatterGen, a diffusion model for materials. Samples structures from a pretrained checkpoint (unconditional or property-conditioned) and returns each structure’s formula, lattice, volume and CIF, plus a real validity flag.
- Info — Get MatterGen service status, Docker availability, capabilities and the list of available pretrained checkpoints.
- Methods — List the MatterGen RPC methods inventory with their layers and parameters.
- Version — Get the MatterGen package version and CUDA availability reported by the Docker image.
Browse the full MatterGen skill documentation
Citation
Zeni, C. et al. A generative model for inorganic materials design. Nature 639, 624-632 (2025). DOI:10.1038/s41586-025-08628-5
Frequently Asked Questions
What is MatterGen?
MatterGen is a computing applications (hpc) application available in the Paramus App Store. Diffusion-model generation of novel inorganic crystal structures. Supports unconditional and property-conditioned sampling (magnetic density, band gap, bulk modulus, chemical system, space group) returning parsed formula, lattice, volume, and CIF per crystal.
Is MatterGen free to use?
Yes. MatterGen is distributed under the MIT (Free) license and is available at no cost through the Paramus App Store.
How do I install MatterGen?
MatterGen is installed through Paramus Chemistry OS, an on-premise Windows platform for computational chemistry. Open the Paramus App Store in your local installation and select MatterGen for one-click deployment.
What type of application is MatterGen?
MatterGen belongs to the “Computing Applications (HPC)” category in the Paramus App Store. It runs on Paramus Chemistry OS and can also be accessed through Paramus Cloud for supported workflows.
What platform does MatterGen run on?
MatterGen runs on Paramus Chemistry OS, a Windows-based on-premise platform that provides local compute power for demanding simulations. It requires a Paramus OS installation with appropriate hardware resources.
Can MatterGen be automated or integrated with AI workflows?
Yes. MatterGen is available as part of the Paramus ecosystem which supports MCP (Model Context Protocol) tools for AI-driven automation. This enables integration with large language models and automated research pipelines.
How should I cite MatterGen in publications?
The recommended citation for MatterGen is: Zeni, C. et al. A generative model for inorganic materials design. Nature 639, 624-632 (2025). DOI:10.1038/s41586-025-08628-5