denote the updated version of the original CEH and q-vSZP (denoted CEH-v1 throughout the manuscript, respectively). The final set of 916 random molecules and a detailed register of its composition is included in the SI. ) is also included for comparison. The raw data set comprises 916 molecules with 43240 atomic charge data points i. Outliers (|q i,j -q i,DFT | > 1.0) as well as hydrogen charges were omitted. The dashed lines correspond to a linear regression of the data. For the scatter plot, data points for which all compared methods provided charges within a range of 0.1 were not included graphically to improve readability, by avoiding a large number of points very close to the 1:1 line. Thus, a data point is only plotted if the following condition holds: max |q i,j -q i,k | ≥ 0.1, with j and k being the different charge predictions in the plot.