QCML

QCML is a research-grade quantum machine-learning dataset focused on quantum-chemistry machine-learning dataset resources for molecular property prediction and baseline method comparison. It is useful for graduate-level materials research, reproducible benchmarking, model training, validation, and comparison across computational, experimental, or characterization workflows.

Citation: QCML. Materials dataset resource. https://zenodo.org/search?q=QCML%20dataset

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