FERMat-ML/OMatG
State-of-the-art generative model for crystal structure prediction and de novo generation of inorganic crystals.
This tool helps materials scientists and researchers design new inorganic crystalline materials by either predicting crystal structures for a given atomic composition or generating entirely new crystal structures and compositions from scratch. You input desired atomic elements or let the system propose them, and it outputs stable crystal structures with their atomic arrangements and lattice parameters. It's for anyone involved in discovering and engineering novel materials.
Use this if you need to rapidly explore potential crystal structures for new materials or optimize existing ones, whether you have a specific chemical formula in mind or want to discover entirely novel compounds.
Not ideal if you are working with organic molecules, polymers, or amorphous materials, as this tool is specifically designed for inorganic crystal structures.
Stars
45
Forks
7
Language
Python
License
MIT
Category
Last pushed
Jan 14, 2026
Commits (30d)
0
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