CHILI-3K
Introduced by Friis-Jensen et al. in CHILI: Chemically-Informed Large-scale Inorganic Nanomaterials Dataset for Advancing Graph Machine Learning
The CHILI-3K dataset is a medium-scale graph dataset (with overall >6M nodes, >49M edges) of mono-metallic oxide nanomaterials generated from 12 selected crystal types. This dataset has a narrow chemical scope focused on an interesting part of chemical space with a lot of active research.
Benchmarks
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CHILI-3K
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EdgeCNN
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CHILI-3K
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EdgeCNN
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CHILI-3K
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EdgeCNN
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CHILI-3K
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GraphUNet
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CHILI-3K
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EdgeCNN
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CHILI-3K
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EdgeCNN
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CHILI-3K
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EdgeCNN
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CHILI-3K
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Mean
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Papers
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