lamm-mit/graphene-design-universe-64k

Graphene Design Universe 64K 64,000 atomistic graphene geometries, with images, periodic cells, generator parameters, standard extended XYZ coordinates and a geometry-similarity embedding. Explore the interactive map. This is a geometry-only design library derived from the graphene metamaterial generators developed in an AI-built atomistic modeling workflow. It preserves the preceding 16,384-design visualization atlas and adds 47,616 newly generated designs. These 64,000… See the full description on the dataset page: https://huggingface.co/datasets/lamm-mit/graphene-design-universe-64k.

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