CHILI-100K

Dataset Information
Modalities
Graphs
Languages
English
Introduced
2024
License
Apache-2.0
Homepage
Official Website
Contents

Overview

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.

Variants: CHILI-100K

Associated Benchmarks

This dataset is used in 2 benchmarks:

Recent Benchmark Submissions

Task Model Paper Date
Distance regression EdgeCNN CHILI: Chemically-Informed Large-scale Inorganic Nanomaterials … 2024-02-20
Distance regression GraphSAGE CHILI: Chemically-Informed Large-scale Inorganic Nanomaterials … 2024-02-20
Distance regression GraphUNet CHILI: Chemically-Informed Large-scale Inorganic Nanomaterials … 2024-02-20
Distance regression GCN CHILI: Chemically-Informed Large-scale Inorganic Nanomaterials … 2024-02-20
Distance regression GAT CHILI: Chemically-Informed Large-scale Inorganic Nanomaterials … 2024-02-20
Distance regression Mean CHILI: Chemically-Informed Large-scale Inorganic Nanomaterials … 2024-02-20
Distance regression PMLP CHILI: Chemically-Informed Large-scale Inorganic Nanomaterials … 2024-02-20
Distance regression GIN CHILI: Chemically-Informed Large-scale Inorganic Nanomaterials … 2024-02-20
Atomic number classification EdgeCNN CHILI: Chemically-Informed Large-scale Inorganic Nanomaterials … 2024-02-20
Atomic number classification GIN CHILI: Chemically-Informed Large-scale Inorganic Nanomaterials … 2024-02-20
Atomic number classification GraphUNet CHILI: Chemically-Informed Large-scale Inorganic Nanomaterials … 2024-02-20
Atomic number classification GCN CHILI: Chemically-Informed Large-scale Inorganic Nanomaterials … 2024-02-20
Atomic number classification GraphSAGE CHILI: Chemically-Informed Large-scale Inorganic Nanomaterials … 2024-02-20
Atomic number classification Most Frequent Class CHILI: Chemically-Informed Large-scale Inorganic Nanomaterials … 2024-02-20
Atomic number classification GAT CHILI: Chemically-Informed Large-scale Inorganic Nanomaterials … 2024-02-20
Atomic number classification PMLP CHILI: Chemically-Informed Large-scale Inorganic Nanomaterials … 2024-02-20
Atomic number classification Random CHILI: Chemically-Informed Large-scale Inorganic Nanomaterials … 2024-02-20

Research Papers

Recent papers with results on this dataset:

External Links: