Besides the optimization of intramolecular terms, RESP charge is also essential for an accurate description of intermolecular interactions. However, obtaining RESP charges requires costly QM computations, which pose the barriers for force field generation. Herein, we exhibit the high accuracy of E3NN models for predicting RESP charges. The dataset of RESP charges created in this work is partitioned into a training set and a test set with the ratio 9:1. Detailed descriptions of the training hyper parameters are provided in the Supplementary Information. Figure (a) displays the correlation of RESP charges between the E3NN-predicted values and the QM counterparts for the test sets. Despite the prediction of some data points deviating from the QM values, the E3NN model exhibits high accuracy with the MAE and R 2 0.012 and 0.99, respectively. Figure (b) also exhibits the distribution of deviations for E3NN-predicted RESP charges. The absolute deviation for most of NN predictions is less than 0.02, suggesting that E3NN models are capable of predicting RESP charges for organic conjugated molecules with QM accuracy.