Training datasets for AIMNet2 machine-learned neural network potential

The datasets contain molecular structures and the properties computed with B97-3c (GGA DFT) or wB97M-def2-TZVPP (range-separated hybrid DFT) methods. Each data file contains about 20M structures. DFT calculation performed with ORCA 5.0.3 software. Properties include energy, forces, atomic charges, and molecular dipole and quadrupole moments.