OMol25 Electronic Structures

OMol25 Electronic Structures is a research-grade electronic-structure dataset focused on electronic-structure labels for OMol25 molecules, useful for quantum property prediction and molecular foundation-model evaluation. It is useful for graduate-level materials research, reproducible benchmarking, model training, validation, and comparison across computational, experimental, or characterization workflows.

Citation: OMol25 Electronic Structures. Materials dataset resource. https://huggingface.co/facebook/OMol25-Electronic-Structures

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