MaterialsAtlas Dataset

Frustrated Lewis Pairs Database

frustrated-lewis-pairscatalysisreactivitymoleculesdatasetsmaterials-dataresearch-grade

Frustrated Lewis Pairs Database is a research-grade molecular reactivity dataset focused on frustrated Lewis pair structures and reactivity data for catalysis, small-molecule activation, and reaction-property prediction. It is useful for graduate-level materials research, reproducible benchmarking, model training, validation, and comparison across computational, experimental, or characterization workflows.

Citation: Frustrated Lewis Pairs Database. Materials dataset resource. https://jingyun-ye.github.io/FLP/

Acknowledgement: Curated by MaterialsAtlas Open Resources from public data portals, official project pages, benchmark suites, repositories, and publication-linked archives.

TypeDataset
DomainCatalysis / reaction dataset
LicenseSee source
Contributorsjingyun-ye.github.io