CHILI-100K

홈페이지 · 논문 2편

The CHILI-100K dataset is a large-scale graph dataset (with overall >183M nodes, >1.2B edges) of nanomaterials generated from experimentally determined crystal structures. The crystal structures used in CHILI-100K are obtained from a curated subset from the Crystallography Open Database (COD) and has a broad chemical scope covering database entries for 68 metals and 11 non-metals.

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벤치마크

Atomic number classification on CHILI-100K 결과 18개

Crystal system classification on CHILI-100K 결과 18개

Space group classification on CHILI-100K 결과 18개

Distance regression on CHILI-100K 결과 8개

Position regression on CHILI-100K 결과 8개

SAXS regression on CHILI-100K 결과 8개

X-ray PDF regression on CHILI-100K 결과 8개

XRD regression on CHILI-100K 결과 8개