MatterGen
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.
Citation
Zeni, C. et al. A generative model for inorganic materials design. Nature 639, 624-632 (2025). DOI:10.1038/s41586-025-08628-5