QM7
Introduced by Hoja et al. in QM7-X: A comprehensive dataset of quantum-mechanical properties spanning the chemical space of small organic molecules
QM7 dataset is a subset of the GDB-13 database. GDB-13 contains nearly 1 billion stable and synthetically accessible organic molecules. In the QM7 subset, only molecules with up to 23 atoms are included. These atoms consist of carbon ©, nitrogen (N), oxygen (O), and sulfur (S). The total number of molecules in the QM7 dataset is 7165. Each molecule is represented using the Coulomb matrix, which captures the interactions between atoms.
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