The accuracy of the DNN model has been accessed through direct comparison of DPMD with FPMD. FPMD simulations were 50 ps-long and sampled the NVT ensemble at 300 K. None of the configurations sampled by FPMD were included in the DNN training data. Fig. contains the comparison of the type-type pair correlation functions, g(r), computed with simulations of pure liquid ammonia (Fig. ) and chemically-bound CO 2 dissolved in liquid ammonia (Fig. ). Close-range pair interactions with high correlations, such as covalent bonds and intramolecular H-H pairs, are displayed in the inset of panels A and B.