AIMNet2 Dataset

AIMNet2 Dataset is a research-grade molecular energy / force dataset focused on broad molecular conformational data used for AIMNet2-style neural potentials and transferable molecular 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: AIMNet2 Dataset. Materials dataset resource. https://doi.org/10.5281/zenodo.10044368

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