CHILI-100K
Introduced by Friis-Jensen et al. in CHILI: Chemically-Informed Large-scale Inorganic Nanomaterials Dataset for Advancing Graph Machine Learning
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
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CHILI-100K
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EdgeCNN
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CHILI-100K
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Random
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CHILI-100K
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EdgeCNN
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CHILI-100K
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GraphUNet
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CHILI-100K
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EdgeCNN
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CHILI-100K
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PMLP
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CHILI-100K
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EdgeCNN
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CHILI-100K
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Mean
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Papers
| Paper | Code | Results | Date | Stars |
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