Miller, Thomas F.

Dataset from CaltechDATA

• Cheng, Lixue and Sun, Jiace, el al. (2022) Criegee, H10 chain, small radicals, water bond dissociation, and QMSpin energy datasets with MOB features for MOB-ML(KA-GPR); 10.22002/D1.20200
• Husch, Tamara and Sun, Jiace, el al. (2020) QM7b-T, GDB-13-T, TM-T, malonaldehyde, BBI, and short alkanes quantum chemistry dataset including MOB-ML features; 10.22002/D1.1792
• Cheng, Lixue and Welborn, Matthew, el al. (2019) Thermalized (350K) QM7b, GDB-13, water, and short alkane quantum chemistry dataset including MOB-ML features; 10.22002/D1.1177