Fast and accurate prediction of partial charges using Atom-Path-Descriptor-based machine learning. - Jike Wang; Dong-Sheng Cao 001; Cunchen Tang; Xi Chen; Huiyong Sun; Tingjun Hou (Bioinform., 2020)

DeepAtomicCharge: a new graph convolutional network-based architecture for accurate prediction of atomic charges. - Jike Wang; Dong-Sheng Cao 001; Cunchen Tang; Lei Xu 035; Qiaojun He; Bo Yang 023; Xi Chen; Huiyong Sun; Tingjun Hou (Briefings Bioinform., 2021)

Multi-constraint molecular generation based on conditional transformer, knowledge distillation and reinforcement learning. - Jike Wang; Chang-Yu Hsieh; Mingyang Wang 004; Xiaorui Wang; Zhenxing Wu; Dejun Jiang 002; Benben Liao; Xujun Zhang; Bo Yang 023; Qiaojun He; Dongsheng Cao 001; Xi Chen; et al. (Nat. Mach. Intell., 2021)

DeepChargePredictor: a web server for predicting QM-based atomic charges via state-of-the-art machine-learning algorithms. - Jike Wang; Huiyong Sun; Jiawen Chen; Dejun Jiang 002; Zhe Wang 041; Zhenxing Wu; Xi Chen; Dong-Sheng Cao 001; Tingjun Hou (Bioinform., 2021)

Out-of-the-box deep learning prediction of quantum-mechanical partial charges by graph representation and transfer learning. - Dejun Jiang 002; Huiyong Sun; Jike Wang; Chang-Yu Hsieh; Yuquan Li; Zhenxing Wu; Dong-Sheng Cao 001; Jian Wu 001; Tingjun Hou (Briefings Bioinform., 2022)

Comprehensive assessment of deep generative architectures for de novo drug design. - Mingyang Wang 004; Huiyong Sun; Jike Wang; Jinping Pang; Xin Chai; Lei Xu 035; Honglin Li 003; Dongsheng Cao 001; Tingjun Hou (Briefings Bioinform., 2022)

Knowledge-based BERT: a method to extract molecular features like computational chemists. - Zhenxing Wu; Dejun Jiang 002; Jike Wang; Xujun Zhang; Hongyan Du; Lurong Pan; Chang-Yu Hsieh; Dongsheng Cao 001; Tingjun Hou (Briefings Bioinform., 2022)

ReMODE: a deep learning-based web server for target-specific drug design. - Mingyang Wang 004; Jike Wang; Gaoqi Weng; Yu Kang 002; Peichen Pan; Dan Li 013; Yafeng Deng; Honglin Li 003; Chang-Yu Hsieh; Tingjun Hou (J. Cheminformatics, 2022)

Organic Compound Synthetic Accessibility Prediction Based on the Graph Attention Mechanism. - Jiahui Yu; Jike Wang; Hong Zhao; Junbo Gao; Yu Kang 002; Dong-Sheng Cao 001; Zhe Wang 041; Tingjun Hou (J. Chem. Inf. Model., 2022)

METRO: Magnetic Road Markings for All-weather, Smart Roads. - Jike Wang; Shanmu Wang; Yasha Iravantchi; Mingke Wang; Alanson P. Sample; Kang G. Shin; Xinbing Wang; Chenghu Zhou; Dongyao Chen (SenSys, 2023)

Molecular Generation with Reduced Labeling through Constraint Architecture. - Jike Wang; Yundian Zeng; Huiyong Sun; Junmei Wang; Xiaorui Wang; Ruofan Jin; Mingyang Wang 004; Xujun Zhang; Dong-Sheng Cao 001; Xi Chen; Chang-Yu Hsieh; Tingjun Hou (J. Chem. Inf. Model., 2023)

CODD-Pred: A Web Server for Efficient Target Identification and Bioactivity Prediction of Small Molecules. - Xiaodan Yin; Xiaorui Wang; Yuquan Li; Jike Wang; Yuwei Wang; Yafeng Deng; Tingjun Hou; Huanxiang Liu; Pei Luo; Xiaojun Yao (J. Chem. Inf. Model., 2023)

Demo: Implementation and Benchmark of Magnetic Tracking on Mobile Platforms. - Zhenyu Chen; Jike Wang; Dongyao Chen (AdaAIoTSys@MobiSys, 2024)

Polaris: Accurate, Vision-free Fiducials for Mobile Robots with Magnetic Constellation. - Jike Wang; Yasha Iravantchi; Alanson P. Sample; Kang G. Shin; Xinbing Wang; Dongyao Chen (MobiCom, 2024)

AttABseq: an attention-based deep learning prediction method for antigen-antibody binding affinity changes based on protein sequences. - Ruofan Jin; Qing Ye; Jike Wang; Zheng Cao; Dejun Jiang 002; Tianyue Wang; Yu Kang 002; Wanting Xu; Chang-Yu Hsieh; Tingjun Hou (Briefings Bioinform., 2024)

Comprehensive assessment of protein loop modeling programs on large-scale datasets: prediction accuracy and efficiency. - Tianyue Wang; Langcheng Wang; Xujun Zhang; Chao Shen 008; Odin Zhang; Jike Wang; Jialu Wu; Ruofan Jin; Donghao Zhou; Shicheng Chen; Liwei Liu; Xiaorui Wang; et al. (Briefings Bioinform., 2024)

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)

InstructBioMol: Advancing Biomolecule Understanding and Design Following Human Instructions. - Xiang Zhuang; Keyan Ding; Tianwen Lyu; Yinuo Jiang; Xiaotong Li; Zhuoyi Xiang; Zeyuan Wang; Ming Qin; Kehua Feng; Jike Wang; Qiang Zhang 026; Huajun Chen (CoRR, 2024)

Handling shape optimization of superconducting cavities with DNMOGA. - Peilin Wang; Kuangkuang Ye; Xuerui Hao; Jike Wang (Comput. Phys. Commun., 2024)

DrugFlow: An AI-Driven One-Stop Platform for Innovative Drug Discovery. - Chao Shen 008; Jianfei Song; Chang-Yu Hsieh; Dong-Sheng Cao 001; Yu Kang 002; Wenling Ye; Zhenxing Wu; Jike Wang; Odin Zhang; Xujun Zhang; Hao Zeng; Heng Cai; et al. (J. Chem. Inf. Model., 2024)

Leveraging language model for advanced multiproperty molecular optimization via prompt engineering. - Zhenxing Wu; Odin Zhang; Xiaorui Wang; Li Fu; Huifeng Zhao; Jike Wang; Hongyan Du; Dejun Jiang 002; Yafeng Deng; Dong-Sheng Cao 001; Chang-Yu Hsieh; Tingjun Hou (Nat. Mac. Intell., 2024)

Genetic Algorithm-Based Receptor Ligand: A Genetic Algorithm-Guided Generative Model to Boost the Novelty and Drug-Likeness of Molecules in a Sampling Chemical Space. - Mingyang Wang 004; Zhengjian Wu; Jike Wang; Gaoqi Weng; Yu Kang 002; Peichen Pan; Dan Li 013; Yafeng Deng; Xiaojun Yao; Zhitong Bing; Chang-Yu Hsieh; Tingjun Hou (J. Chem. Inf. Model., 2024)

Graph Neural Networks in Modern AI-aided Drug Discovery. - Odin Zhang; Haitao Lin; Xujun Zhang; Xiaorui Wang; Zhenxing Wu; Qing Ye; Weibo Zhao; Jike Wang; Kejun Ying; Yu Kang 002; Chang-Yu Hsieh; Tingjun Hou (CoRR, 2025)

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)