OMC25

OMC25 is a research-grade open molecular crystal dataset focused on open molecular crystal data for atomistic learning, crystal packing, molecular-materials modeling, and energy/force prediction. It is useful for graduate-level materials research, reproducible benchmarking, model training, validation, and comparison across computational, experimental, or characterization workflows.

Citation: OMC25. Materials dataset resource. https://huggingface.co/facebook/OMC25

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