@misc{indiciae41f96c066cca, title = {Quantum mechanical dataset of 836k neutral closed-shell molecules with up to 5 heavy atoms from C, N, O, F, Si, P, S, Cl, Br}, author = {Khan, Danish and Benali, Anouar and Kim, Scott and von Rudorff, Guido and von Lilienfeld, O.}, year = {2025}, doi = {10.1038/s41597-025-05428-4}, url = {https://www.osti.gov/biblio/3675911}, note = {Source identifier: 3675911} }