Deep potential and charge datasets for characterizing water autoionization and the behavior of hydronium and hydroxide ions around a decane droplet in water.

This dataset consists of systems containing hydronium and hydroxide ions in the vicinity of water and decane, labeled using the M06-2X functional. The notation "dp" refers to the model for predicting energy and force, while "dc" indicates the model for predicting the Hirshfeld charge of configurations within the datasets. For additional information, please refer to the associated paper and supporting information. The dp compressed model has been uploaded, and the original dp and dc models can be found in github.