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Graphlet Histogram Representation Database of Inorganic Crystals

cond-mat.mtrl-sci · 2026-06-08 · unverdicted · novelty 6.0

Graphlet-MP supplies graphlet-histogram representations plus an Earth Mover's Distance metric and open code for 149k crystals, enabling data-efficient structural comparisons without end-to-end DFT training.

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  • Graphlet Histogram Representation Database of Inorganic Crystals cond-mat.mtrl-sci · 2026-06-08 · unverdicted · none · ref 5

    Graphlet-MP supplies graphlet-histogram representations plus an Earth Mover's Distance metric and open code for 149k crystals, enabling data-efficient structural comparisons without end-to-end DFT training.