Having established the robustness of the exhaustive models within the scope of QM7-x, we now turn to the simultaneous exploration in chemical and configuration space. To this end, we consider four molecules consisting of 9-29 heavy atoms (i.e. which are significantly larger than the training molecules). Again, 1 ns MD trajectories were generated with the 3.2Mio potential at 1200 K. Figure shows the corresponding AE and F error distributions. Strikingly, the AE errors are systematically more positive than the DFT reference energies, most prominently for the large Ser-Trp-Leu tripeptide. Here, the mean AE is shifted by 0.47 eV with respect to the reference, which is substantial when compared to an MAE of 0.0284 eV at 1200 K in Fig. .