MSR-ACC / TAE25

MSR-ACC / TAE25 is a research-grade thermal atomization energy dataset focused on accurate quantum-chemistry atomization energy data for molecular ML, transferability tests, and high-accuracy property prediction. It is useful for graduate-level materials research, reproducible benchmarking, model training, validation, and comparison across computational, experimental, or characterization workflows.

Citation: MSR-ACC / TAE25. Materials dataset resource. https://doi.org/10.5281/zenodo.14877727

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