The DirectML GNN model by Chung et al. is used later in this work to compute solvation free energies of neutral species. The Chung model was trained on the dGsolvDB3 dataset, and the authors therein reported a 0.29 / 0.56 kcal mol -1 MAE / RMSE, randomly holding out 10% of the data as test data. Model errors were higher for substructure splitting (0.81 / 1.24 kcal mol -1 ), indicating potential challenges with generalizing to new chemistries. We refer readers to the corresponding literature reference for further details.