Qizhi Pei (裴启智 in Chinese) is currently a third year Ph.D. student at the ALOHA group of Gaoling School of Artificial Intelligence (GSAI) in Renmin University of China (RUC), supervised by Prof. Rui Yan. He got the B.S. degree from School of Computer Science and Technology, University of Science and Technology of China (USTC) in 2022. He currently is an intern of Shanghai Artificial Intelligent Laboratory, mentored by Dr. Lijun Wu. He is also a member of AI4Science Research Project.
His researches focus on AI4science, multi-modal learning for molecule, and data synthesis for NLP.
🔥 News
- 2025.02: 🔥🔥 NatureLM is made public. See project page for more information.
- 2025.01: 🎉🎉 3D-MolT5 is accepted by ICLR 2025. Thanks for all collaborators!
- 2024.12: 🔥🔥 Mol-StrucTok is submitted to Arxiv.
- 2024.11: 🎉🎉 FABind+ is accepted by KDD 2025. Congrats to Kaiyuan!
- 2024.07: 🎉🎉 The enhanced version of BioT5+ achieves remarkable results in Language + Molecule @ ACL2024 Workshop/Competition:
- 🥇 1st Place in the Text-based Molecule Generation Track.
- 🥈 2nd Place in the Molecular Captioning Track.
- 🎤 Oral presentation in the workshop.
- 2024.07: 🎉🎉 kNN-DTA is accepted by CIKM 2024. Thanks for all collaborators!
- 2024.06: 3D-MolT5 is submitted to Arxiv.
- 2024.05: 🎉🎉 BioT5+ is accepted by ACL 2024 (Findings). Thanks for all collaborators!
- 2024.03: FABind+ is submitted to Arxiv.
- 2024.03: A survey about cross-modal learning for biomolecule is submitted to Arxiv.
- 2023.10: 🎉🎉 BioT5 is accepted by EMNLP 2023. Thanks for all collaborators!
- 2023.10: 🎉🎉 SSM-DTA is accepted by Briefings in Bioinformatics 2023. Thanks for all collaborators!
- 2023.09: 🎉🎉 FABind is accepted by NeurIPS 2023. Thanks for all collaborators!
📝 Publications
3D-MolT5: Leveraging Discrete Structural Information for Molecule-Text Modeling
Qizhi Pei, Lijun Wu, Kaiyuan Gao, Jinhua Zhu, Rui Yan
BioT5+: Towards Generalized Biological Understanding with IUPAC Integration and Multi-task Tuning
Qizhi Pei, Lijun Wu, Kaiyuan Gao, Xiaozhuan Liang, Yin Fang, Jinhua Zhu, Shufang Xie, Tao Qin, Rui Yan
Project | 
BioT5: Enriching Cross-modal Integration in Biology with Chemical Knowledge and Natural Language Associations
Qizhi Pei, Wei Zhang, Jinhua Zhu, Kehan Wu, Kaiyuan Gao, Lijun Wu, Yingce Xia, Rui Yan
Project |
FABind: Fast and Accurate Protein-Ligand Binding
Qizhi Pei(co-first author), Kaiyuan Gao, Lijun Wu, Jinhua Zhu, Yingce Xia, Shufang Xie, Tao Qin, Kun He, Tie-Yan Liu, Rui Yan
Project | 
Enhanced BioT5+ for Molecule-Text Translation: A Three-Stage Approach with Data Distillation, Diverse Training, and Voting Ensemble
Qizhi Pei, Lijun Wu, Kaiyuan Gao, Jinhua Zhu, Rui Yan
Exploiting Pre-trained Models for Drug Target Affinity Prediction with Nearest Neighbors
Qizhi Pei(co-first author), Lijun Wu, Zhenyu He, Jinhua Zhu, Yingce Xia, Shufang Xie, Rui Yan
SSM-DTA: Breaking the Barriers of Data Scarcity in Drug-Target Affinity Prediction
Qizhi Pei, Lijun Wu, Jinhua Zhu, Yingce Xia, Shufang Xie, Tao Qin, Haiguang Liu, Tie-Yan Liu, Rui Yan
Project |
FABind+: Enhancing Molecular Docking through Improved Pocket Prediction and Pose Generation
Kaiyuan Gao, Qizhi Pei, Jinhua Zhu, Tao Qin, Kun He, Lijun Wu
Project |
TamGen: drug design with target-aware molecule generation through a chemical language model
Kehan Wu, Yingce Xia, Pan Deng, Renhe Liu, Yuan Zhang, Han Guo, Yumeng Cui, Qizhi Pei, Lijun Wu, Shufang Xie, Si Chen, Xi Lu, Song Hu, Jinzhi Wu, Chi-Kin Chan, Shawn Chen, Liangliang Zhou, Nenghai Yu, Enhong Chen, Haiguang Liu, Jinjiang Guo, Tao Qin, Tie-Yan Liu
Project |
📝 Preprints
Leveraging Biomolecule and Natural Language through Multi-Modal Learning: A Survey
Qizhi Pei, Lijun Wu, Kaiyuan Gao, Jinhua Zhu, Yue Wang, Zun Wang, Tao Qin, Rui Yan
Project |
Tokenizing 3D Molecule Structure with Quantized Spherical Coordinates
Kaiyuan Gao, Yusong Wang, Haoxiang Guan, Zun Wang, Qizhi Pei, John E. Hopcroft, Kun He, and Lijun Wu.
Project |
Examining User-Friendly and Open-Sourced Large GPT Models: A Survey on Language, Multimodal, and Scientific GPT Models
Kaiyuan Gao, Sunan He, Zhenyu He, Jiacheng Lin, Qizhi Pei, Jie Shao, Wei Zhang
Project |
🎖 Honors and Awards
- 2023 Doctoral Scholarship for Elite Innovative Talents of Renmin University of China (中国人民大学拔尖创新人才).
- 2022, Excellent Graduation Thesis, USTC.
- 2022, Outstanding Undergraduate Awards, USTC.
- 2018~2021, Outstanding Student Scholarship, USTC.
📖 Educations
- 2022.09 - Now, Ph.D. student in the Gaoling School of Artificial Intelligence, Renmin University of China.
- 2018.09 - 2022.06, undergraduate student in the School of Computer Science and Technology, University of Science and Technology of China.
💻 Internships
- 2024.09 - now, Shanghai Artificial Intelligent Laboratory, Beijing, China
- 2023.07 - 2024.06, Microsoft Research AI4Science, Beijing, China.
- 2021.07 - 2023.01, Microsoft Research Asia, Beijing, China.