QM7 / QM7b

QM7 / QM7b is a research-grade molecular property benchmark focused on Coulomb-matrix-era molecular quantum-chemistry benchmark datasets for atomization energies and electronic property prediction. It is useful for graduate-level materials research, reproducible benchmarking, model training, validation, and comparison across computational, experimental, or characterization workflows.

Citation: QM7 / QM7b. Materials dataset resource. https://quantum-machine.org/datasets/

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