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RMSE of the DASH partial charges with respect to the MBIS reference charges on the validation set as a function of the attention threshold. The minimum RMSE is at an attention threshold of 5.2. For two attention thresholds (0.7 and 4.21), a comparison between the DASH partial charges and the MBIS reference charges is shown on the right. A maximal depth of 16 was used for the DASH tree.
