The full dataset, which we denote QM9-Solvation, is available through GitHub and the Materials Data Facility. 20,21 Our goal is to link the graph structure of a molecule to solvation energy. Using only the molecular graph means that estimating the solvation energy of a molecule does not require any force field or quantum chemistry computations, which both allows our models to screen new chemicals at high rates and mitigates concerns about tying predicted solvation energy to a specific conformation.