Density difference plots on a representative static snapshot of an AA base-pair step are shown for the machine learning model (Fig. ) and can be compared to a reference quantum difference (Fig. ) as well as a QM/MM difference (Fig. ), ρ DN A,QM/M M -ρ DN A,gas , where QM/MM is used for the solvated DNA system. The plots are presented with the same density isovalue (±0.005 a.u.) for direct comparison, where red indicates an excess of electrons (negative polarization) and blue a deficiency of electrons (positive polarization). Based on its similarity to the quantum reference and the QM/MM difference plots, the machine learning model gets the key features of the DNA-solvent interaction correct. Notably, the DNA shows strong negative polarization around the phosphate groups, which has been shown to be where most of the DNA-solvent charge transfer effects occur . The machine learning density difference plot also appears slightly noisier due to the model prediction error.