3DStructGen: an interactive web-based 3D structure generation for non-periodic molecule and crystal. - Pin Chen; Yu Wang 082; Hui Yan; Sen Gao; Zexin Xu; Yangzhong Li; Qing Mo; Junkang Huang; Jun Tao 002; GeChuanqi Pan; Jiahui Li 008; Yunfei Du (J. Cheminformatics, 2020)

VSTH: a user-friendly web server for structure-based virtual screening on Tianhe-2. - Qing Mo; Zexin Xu; Hui Yan; Pin Chen; Yutong Lu (Bioinform., 2023)

Equivariant Diffusion for Crystal Structure Prediction. - Peijia Lin; Pin Chen; Rui Jiao; Qing Mo; Jianhuan Cen; Wenbing Huang 001; Yang Liu 005; Dan Huang 001; Yutong Lu (ICML, 2024)

Learning Superconductivity from Ordered and Disordered Material Structures. - Pin Chen; Luoxuan Peng; Rui Jiao; Qing Mo; Zhen Wang 036; Wenbing Huang 001; Yang Liu 005; Yutong Lu (NeurIPS, 2024)

Design and characterization of defined alpha-helix mini-proteins with intrinsic cell permeability. - Xin-Chun Chen; Xiang-Wei Kong; Pin Chen; Zi-Qian Li; Nan Huang; Zheng Zhao; Jie Yang; Ge-Xin Zhao; Qing Mo; Yu-Tong Lu; Xiao-Ming Huang; Guo-Kai Feng; et al. (Comput. Biol. Chem., 2024)

ECD: A Machine Learning Benchmark for Predicting Enhanced-Precision Electronic Charge Density in Crystalline Inorganic Materials. - Pin Chen; Zexin Xu; Qing Mo; Hongjin Zhong; Fengyang Xu; Yutong Lu (ICLR, 2025)

Star-gen: an HPC-AI framework for constructing large-scale computational materials database. - Pin Chen; Qing Mo; Zexin Xu; Xianwei Zhang; Yutong Lu (CCF Trans. High Perform. Comput., 2025)