Matra-Genoa

Matra-Genoa is a generative model for crystalline materials based on Wyckoff representation.

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Resources

• 📄 Paper: arXiv:2501.16051
• 📊 MatraGenoa3M: 3 million generated crystals on figshare. Not relaxed; future updates may include novel relaxed structures.
• 🔌 OPTIMADE API: coming soon
• 🖥️ Matra-Genoa-MPAS Front End: matra.pierrepauldb.com

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Citation

Pierre-Paul De Breuck, Hashim A. Piracha, Gian-Marco Rignanese, Miguel A. L. Marques
A generative material transformer using Wyckoff representation
arXiv:2501.16051 (2025) – https://arxiv.org/abs/2501.16051