DGL-LifeSci: An Open-Source Toolkit for Deep Learning on Graphs in Life Science. - Mufei Li; Jinjing Zhou; Jiajing Hu; Wenxuan Fan; Yangkang Zhang; Yaxin Gu; George Karypis (CoRR, 2021)

A multitask GNN-based interpretable model for discovery of selective JAK inhibitors. - Yimeng Wang; Yaxin Gu; Chaofeng Lou; Yuning Gong; Zengrui Wu; Weihua Li 005; Yun Tang 001; Guixia Liu (J. Cheminformatics, 2022)

MetaPredictor: in silico prediction of drug metabolites based on deep language models with prompt engineering. - Keyun Zhu; Mengting Huang; Yimeng Wang; Yaxin Gu; Weihua Li 005; Guixia Liu; Yun Tang 001 (Briefings Bioinform., 2024)

XGraphCDS: An explainable deep learning model for predicting drug sensitivity from gene pathways and chemical structures. - Yimeng Wang; Xinxin Yu; Yaxin Gu; Weihua Li 005; Keyun Zhu; Long Chen; Yun Tang 001; Guixia Liu (Comput. Biol. Medicine, 2024)

DBPP-Predictor: a novel strategy for prediction of chemical drug-likeness based on property profiles. - Yaxin Gu; Yimeng Wang; Keyun Zhu; Weihua Li 005; Guixia Liu; Yun Tang 001 (J. Cheminformatics, 2024)