The benchmark solvation free energy datasets were constructed from subsets of those used in the testing of OpenFF-Sage . The non-aqueous solvation free energy dataset extracted from the MNSol database was first filtered to only include solute-solvent pairs which would be parameterised with the 15 SMIRKS exercised during the fitting of DE-FF. Then we filtered out all solutes that did not have an aqueous solvation free energy in the FreeSolv database . This resulted in 72 unique solutes and 284 unique solute-solvent pairs from which we computed the aqueous solvation free energies (∆G solv (aq)), and non-aqueous solvation free energies (∆G solv (nonaq)), respectively. We then computed 284 aqueous to non-aqueous transfer free energies from the individual components via: ∆G trans (aq -→ nonaq) = ∆G solv (nonaq) -∆G solv (aq)