QMOF Database

QMOF Database is a research-grade dft mof property dataset focused on DFT-computed quantum-chemical properties for metal-organic frameworks, useful for electronic-structure prediction, adsorption-adjacent screening, and MOF informatics. It is useful for graduate-level materials research, reproducible benchmarking, model training, validation, and comparison across computational, experimental, or characterization workflows.

Citation: QMOF Database. Materials dataset resource. https://figshare.com/articles/dataset/QMOF_Database/13147324

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