MultixcQM9

MultixcQM9 is a research-grade multi-functional benchmark focused on QM9-style quantum-chemistry data computed across multiple exchange-correlation functionals for robustness and transfer benchmarks. It is useful for graduate-level materials research, reproducible benchmarking, model training, validation, and comparison across computational, experimental, or characterization workflows.

Citation: MultixcQM9. Materials dataset resource. https://www.openqdc.io/datasets

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