If you use DeepChargePredictor, please cite:

Jike Wang, Dongsheng Cao, Cunchen Tang, Lei Xu, Qiaojun He, Bo Yang, Xi Chen, Huiyong Sun, Tingjun Hou, DeepAtomicCharge: a new graph convolutional network-based architecture for accurate prediction of atomic charges, Briefings in Bioinformatics, 2020. [HTML]

Jike Wang, Dongsheng Cao, Cunchen Tang, Xi Chen, Huiyong Sun, Tingjun Hou, Fast and accurate prediction of partial charges using Atom-Path-Descriptor-based machine learning, Bioinformatics, 2020. [HTML]

Dataset