Graph-based Molecular Representation Learning. - Zhichun Guo; Bozhao Nan; Yijun Tian 001; Olaf Wiest; Chuxu Zhang; Nitesh V. Chawla (CoRR, 2022)

Graph-based Molecular Representation Learning. - Zhichun Guo; Kehan Guo; Bozhao Nan; Yijun Tian 001; Roshni G. Iyer; Yihong Ma; Olaf Wiest; Xiangliang Zhang 001; Wei Wang 010; Chuxu Zhang; Nitesh V. Chawla (IJCAI, 2023)

What can Large Language Models do in chemistry? A comprehensive benchmark on eight tasks. - Taicheng Guo; Kehan Guo; Bozhao Nan; Zhenwen Liang; Zhichun Guo; Nitesh V. Chawla; Olaf Wiest; Xiangliang Zhang 001 (NeurIPS, 2023)

What indeed can GPT models do in chemistry? A comprehensive benchmark on eight tasks. - Taicheng Guo; Kehan Guo; Bozhao Nan; Zhengwen Liang; Zhichun Guo; Nitesh V. Chawla; Olaf Wiest; Xiangliang Zhang 001 (CoRR, 2023)

Modeling non-uniform uncertainty in Reaction Prediction via Boosting and Dropout. - Taicheng Guo; Changsheng Ma; Xiuying Chen; Bozhao Nan; Kehan Guo; Shichao Pei; Nitesh V. Chawla; Olaf Wiest; Xiangliang Zhang 001 (CoRR, 2023)

Learning Over Molecular Conformer Ensembles: Datasets and Benchmarks. - Yanqiao Zhu 001; Jeehyun Hwang; Keir Adams; Zhen Liu; Bozhao Nan; Brock Stenfors; Yuanqi Du; Jatin Chauhan; Olaf Wiest; Olexandr Isayev; Connor W. Coley; Yizhou Sun; et al. (ICLR, 2024)

Can LLMs Solve Molecule Puzzles? A Multimodal Benchmark for Molecular Structure Elucidation. - Kehan Guo; Bozhao Nan; Yujun Zhou 002; Taicheng Guo; Zhichun Guo; Mihir Surve; Zhenwen Liang; Nitesh V. Chawla; Olaf Wiest; Xiangliang Zhang 001 (NeurIPS, 2024)

Are we Making Much Progress? Revisiting Chemical Reaction Yield Prediction from an Imbalanced Regression Perspective. - Yihong Ma; Xiaobao Huang; Bozhao Nan; Nuno Moniz; Xiangliang Zhang 001; Olaf Wiest; Nitesh V. Chawla (WWW (Companion Volume), 2024)

MolX: Enhancing Large Language Models for Molecular Learning with A Multi-Modal Extension. - Khiem Le; Zhichun Guo; Kaiwen Dong; Xiaobao Huang; Bozhao Nan; Roshni G. Iyer; Xiangliang Zhang 001; Olaf Wiest; Wei Wang 010; Nitesh V. Chawla (CoRR, 2024)