Energy disorder for the last snapshots of all PEDOT:PSS(:sorbitol) boxes. We find that the neural network slightly underestimates the energy disorder in most cases. One possible reason is that outliers are hard to predict by the neural network, leading to a slight decrease in the width of the predicted HOMO distribution compared to the width of the computed HOMO distribution.The mean error of the energy disorder values is -1.9 meV while the MAE is 2.6 meV, which is smaller than the effects described in the main text.