The training and external test sets for water were taken from Ref. . The same procedure was followed for the calculation of the additional solvents but with fewer conformers per molecule (i.e., nine conformers were used for water): three conformers for chloroform, DMSO, and methanol, and one conformer for the remaining solvents. As in Ref. , forces could not be extracted for all compound-solvent combinations as some simulations were unstable and led to infinite energies. These combinations were not added to the dataset. The final dataset is made freely available in the ETH Research Collection (DOI: 10.3929/ethz-b-000710355) .