In this approach, we rely on the similarity between classical and QM-based implicit solvent models. In both cases, the solvent is modeled as a dielectric continuum interacting with the solute. While the way this continuum interacts with a given solute is modeled differently, deviations from a more accurate explicit solvent description mostly stem from the lack of correct modeling of the solute-solvent interface. While at a larger distance, modeling a solvent as a continuum is a good approximation, the binary nature of actual solvent molecules is no longer accurately described at short distances. We denote this as the explicit-solvent effect. When studying the behavior of classical MD simulations, we realized that it is mainly this effect that leads to the largest deviations between a traditional implicit solvent and the computational or experimental ground truth . For classical force fields, we could already show that the explicit-solvent effect is well reproduced by the GNNIS model, which was trained on a large set of reference forces of ∼370'000 molecules in 39 organic solvents .