CCDC / CSD Depository

CCDC / CSD Depository is a research-grade molecular crystal structures focused on deposited molecular and metal-organic crystal structures for crystal engineering, solid-state chemistry, and molecular materials research. It is useful for graduate-level materials research, reproducible benchmarking, model training, validation, and comparison across computational, experimental, or characterization workflows.

Citation: CCDC / CSD Depository. Materials dataset resource. https://www.ccdc.cam.ac.uk/structures/

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