Datasets › CHILI-100K

CHILI-100K

Introduced by Ulrik Friis-Jensen et al. in CHILI: Chemically-Informed Large-scale Inorganic Nanomaterials Dataset for Advancing Graph Machine Learning20 Feb 2024 archive 2025-07-28

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.

Benchmarks archive 2025-07-28

All 8 leaderboards whose dataset resolves to this page shown (sort by any header). "First row" is the archive's own first row at snapshot, in the archive's row order; nothing here re-ranks and metric direction is not asserted.

Papers archive 2025-07-28

1 shown of 1 paper with a leaderboard row on this dataset's benchmarks, newest first. The archive's own "papers using this dataset" list was never published, so this is the benchmark-backed subset; the archive's count for this dataset is 2. The Syntology column is from Syntology's graph (read 2026-09-24), stated per sample; it is not part of any archive number.

DateSamples run Syntology
CHILI: Chemically-Informed Large-scale Inorganic Nanomaterials Dataset for Advancing Graph Machine Learning 1 67 20 Feb 2024 not harvested

Dataset loaders archive 2025-07-28

1 loader as listed in the archive; links are outbound and not re-checked here.

Tasks archive 2025-07-28

License archive 2025-07-28

Apache-2.0

Modalities archive 2025-07-28

Languages archive 2025-07-28

Variants archive 2025-07-28

  • CHILI-100K

1 variant name, as the archive lists them.

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