OCx24

OCx24 is a research-grade catalyst transfer dataset focused on Open Catalyst extension data for evaluating transfer, active learning, and model robustness across catalyst chemistry and simulation regimes. It is useful for graduate-level materials research, reproducible benchmarking, model training, validation, and comparison across computational, experimental, or characterization workflows.

Citation: OCx24. Materials dataset resource. https://github.com/facebookresearch/fairchem/tree/main/src/fairchem/applications/ocx/data

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