An Interpretable Convolutional Neural Network Framework for Analyzing Molecular Dynamics Trajectories: a Case Study on Functional States for G-Protein-Coupled Receptors. - Chuan Li 002; Jiangting Liu; Jianfang Chen; Yuan Yuan; Jin Yu 004; Qiaolin Gou; Yanzhi Guo; Xuemei Pu (J. Chem. Inf. Model., 2022)

Correlated RNN Framework to Quickly Generate Molecules with Desired Properties for Energetic Materials in the Low Data Regime. - Chuan Li 002; Chenghui Wang; Ming Sun; Yan Zeng; Yuan Yuan; Qiaolin Gou; Guangchuan Wang; Yanzhi Guo; Xuemei Pu (J. Chem. Inf. Model., 2022)

Token-Mol 1.0: Tokenized drug design with large language model. - Jike Wang; Rui Qin; Mingyang Wang 004; Meijing Fang; Yangyang Zhang; Yuchen Zhu; Qun Su; Qiaolin Gou; Chao Shen 008; Odin Zhang; Zhenxing Wu; Dejun Jiang 002; et al. (CoRR, 2024)

A Scalable and Quantum-Accurate Foundation Model for Biomolecular Force Field via Linearly Tensorized Quadrangle Attention. - Qun Su; Kai Zhu; Qiaolin Gou; Jintu Zhang; Renling Hu; Yurong Li; Yongze Wang; Hui Zhang; Ziyi You; Linlong Jiang; Yu Kang 002; Jike Wang; et al. (CoRR, 2025)