The TensorMol ChemSpider data set contains potential energies and forces for 3 million conformations from 15,000 different molecules composed of carbon, hydrogen, nitrogen, and oxygen. These molecules were sourced from the ChemSpider database. The training geometries were sampled using metadynamics, and their energies were calculated using the QChem program with the ωB97X-D exchange-correlation functional and a 6-311G** basis set. Data Accessibility: The C7O2H10-17 and ISO17 data sets are available at , while the VQM24 data set can be accessed on Zenodo at . The QCDGE database is hosted at , and the QM22 database can be downloaded from . The CheMFi data set is available at . The QM9S data set is hosted at Figsharehttps. Although the TensorMol ChemSpider data set was once accessible via , as mentioned in the supplementary information, it is no longer available.