Computer-Aided Drug Design (CADD)

Molexar: A Unified Multimodal Molecular Foundation Model for Drug Design
arXiv, 2026
@misc{lin2026molexar,
title={Molexar: A Unified Multimodal Molecular Foundation Model for Drug Design},
author={Lin, Haoyu and Liao, Yiyan and Pan, Jinmei and Ling, Xinliao and Lai, Luhua and Pei, Jianfeng},
year={2026},
eprint={2606.25865},
archivePrefix={arXiv},
primaryClass={q-bio.BM},
url={https://arxiv.org/abs/2606.25865}
}
MGTbind: a comprehensive database of molecular glue ternary interactome
Nucleic Acids Research, 2026
@article{zhu2026mgtbind,
title={MGTbind: a comprehensive database of molecular glue ternary interactome},
author={Zhu, Jintao and Liao, Yiyan and Lin, Haoyu and Xie, Juan and Deng, Zhichao and Han, Jinyu and Zhang, Zhen and Xiao, Jinchuan and Wang, Zhiyao and Zhang, Shuaipeng and Lai, Luhua and Pei, Jianfeng},
journal={Nucleic Acids Research},
volume={54},
number={D1},
pages={D1500--D1509},
year={2026},
publisher={Oxford University Press},
doi={10.1093/nar/gkaf1075}
}
Benchmarking Cofolding Methods for Molecular Glue Ternary Structure Prediction
Journal of Chemical Information and Modeling, 2025
@article{liao2025benchmarking,
title={Benchmarking Cofolding Methods for Molecular Glue Ternary Structure Prediction},
author={Liao, Yiyan and Zhu, Jintao and Xie, Juan and Lai, Luhua and Pei, Jianfeng},
journal={Journal of Chemical Information and Modeling},
volume={65},
number={20},
pages={11136--11148},
year={2025},
publisher={American Chemical Society},
doi={10.1021/acs.jcim.5c01860}
}Large Language Models (LLMs)

ScholarSearch: Benchmarking Scholar Searching Ability of LLMs
arXiv, 2025
@misc{zhou2025scholarsearch,
title={ScholarSearch: Benchmarking Scholar Searching Ability of LLMs},
author={Zhou, Junting and Li, Wang and Liao, Yiyan and Zhang, Nengyuan and Miao, Tingjia and Qi, Zhihui and Wu, Yuhan and Yang, Tong},
year={2025},
eprint={2506.13784},
archivePrefix={arXiv},
primaryClass={cs.IR},
url={https://arxiv.org/abs/2506.13784}
}
SciDA: Scientific Dynamic Assessor of LLMs
arXiv, 2025
@misc{zhou2025scida,
title={SciDA: Scientific Dynamic Assessor of LLMs},
author={Zhou, Junting and Miao, Tingjia and Liao, Yiyan and Wang, Qichao and Wen, Zhoufutu and Wang, Yanqin and Huang, Yunjie and Yan, Ge and Wang, Leqi and Xia, Yucheng and Gao, Hongwan and Zeng, Yuansong and Zheng, Renjie and Dun, Chen and Liang, Yitao and Yang, Tong and Huang, Wenhao and Zhang, Ge},
year={2025},
eprint={2506.12909},
archivePrefix={arXiv},
primaryClass={cs.CL},
url={https://arxiv.org/abs/2506.12909}
}
SuperGPQA: Scaling LLM Evaluation across 285 Graduate Disciplines
NeurIPS, 2025
@misc{mapteam2025supergpqa,
title={SuperGPQA: Scaling LLM Evaluation across 285 Graduate Disciplines},
author={M-A-P Team and Xinrun Du and Yifan Yao and Kaijing Ma and Bingli Wang and Tianyu Zheng and King Zhu and Minghao Liu and Yiming Liang and Xiaolong Jin and Zhenlin Wei and Chujie Zheng and Kaixin Deng and Shawn Gavin and Shian Jia and Sichao Jiang and Yiyan Liao and Rui Li and Qinrui Li and Sirun Li and Yizhi Li and Yunwen Li and David Ma and Yuansheng Ni and Haoran Que and Qiyao Wang and Zhoufutu Wen and Siwei Wu and Tyshawn Hsing and Ming Xu and Zhenzhu Yang and Zekun Moore Wang and Junting Zhou and Yuelin Bai and Xingyuan Bu and Chenglin Cai and Liang Chen and Yifan Chen and Chengtuo Cheng and Tianhao Cheng and Keyi Ding and Siming Huang and Yun Huang and Yaoru Li and Yizhe Li and Zhaoqun Li and Tianhao Liang and Chengdong Lin and Hongquan Lin and Yinghao Ma and Tianyang Pang and Zhongyuan Peng and Zifan Peng and Qige Qi and Shi Qiu and Xingwei Qu and Shanghaoran Quan and Yizhou Tan and Zili Wang and Chenqing Wang and Hao Wang and Yiya Wang and Yubo Wang and Jiajun Xu and Kexin Yang and Ruibin Yuan and Yuanhao Yue and Tianyang Zhan and Chun Zhang and Jinyang Zhang and Xiyue Zhang and Xingjian Zhang and Yue Zhang and Yongchi Zhao and Xiangyu Zheng and Chenghua Zhong and Yang Gao and Zhoujun Li and Dayiheng Liu and Qian Liu and Tianyu Liu and Shiwen Ni and Junran Peng and Yujia Qin and Wenbo Su and Guoyin Wang and Shi Wang and Jian Yang and Min Yang and Meng Cao and Xiang Yue and Zhaoxiang Zhang and Wangchunshu Zhou and Jiaheng Liu and Qunshu Lin and Wenhao Huang and Ge Zhang},
year={2025},
eprint={2502.14739},
archivePrefix={arXiv},
primaryClass={cs.CL},
url={https://arxiv.org/abs/2502.14739}
}