MaterialsAtlas Dataset
BOOM
organic-materialsmolecular-crystalsbenchmarksproperty-predictiondatasetsmaterials-dataresearch-grade
BOOM is a research-grade molecular crystal / organic materials dataset focused on organic materials and molecular crystal data for benchmarking structure-property prediction and organic materials discovery models. It is useful for graduate-level materials research, reproducible benchmarking, model training, validation, and comparison across computational, experimental, or characterization workflows.
Citation: BOOM. Materials dataset resource. https://github.com/learningmatter-mit/boom
Acknowledgement: Curated by MaterialsAtlas Open Resources from public data portals, official project pages, benchmark suites, repositories, and publication-linked archives.