Curated from the much larger GDB-13 database containing nearly 1 billion molecules, QM7 focuses on a subset of 7,165 small organic molecules. These molecules contain up to 23 atoms, with a maximum of 7 being "heavy atoms" -C, N, O, and S. The remaining positions are filled with hydrogen atoms. The data set provides Coulumb matrices, atomization energies, atomic charge and the Cartesian coordinate of each atom in the molecules.