Computational Methodology: The creation of QM7b data set starts from the selection of 7211 small organic molecules from GDB-13 database. Initial molecular geometries were generated from SMILES strings using the Universal Force Field (UFF) within the Open Babel software. Subsequent geometry optimization was performed using the PBE approximation to Kohn-Sham DFT within the FHI-aims code. For molecular electronic properties, the PBE0 DFT was employed to calculate atomization energies and frontier orbital eigenvalues for each molecule. The ZINDO approach was used to determine properties like electron affinity, ionization potential, excitation energies, and maximal absorption intensity. The GW approximation was utilized to evaluate the frontier orbital eigenvalues. For static polarizability calculations, both self-consistent screening (SCS) and PBE0 were used. Software-wise, FHIaims was used for SCS, PBE0, and GW calculations, while ORCA code handled ZINDO/s calculations.