Dataset Groups Activity Stream QM9: A Quantum Chemistry Benchmark Dataset QM9 is a quantum chemistry benchmark dataset containing 134k stable small organic molecules. BibTex: @dataset{Raghunathan_Ramakrishnan_and_Pavlo_O_Dral_and_Matthias_Rupp_and_O_Anatole_Von_Lilienfeld_2025, abstract = {QM9 is a quantum chemistry benchmark dataset containing 134k stable small organic molecules.}, author = {Raghunathan Ramakrishnan and Pavlo O Dral and Matthias Rupp and O Anatole Von Lilienfeld}, doi = {10.57702/biyhzff4}, institution = {No Organization}, keyword = {'benchmark dataset', 'quantum chemistry', 'small organic molecules'}, month = {jan}, publisher = {TIB}, title = {QM9: A Quantum Chemistry Benchmark Dataset}, url = {https://service.tib.eu/ldmservice/dataset/qm9--a-quantum-chemistry-benchmark-dataset}, year = {2025} }
