Uni-SMART: Universal Science Multimodal Analysis and Research Transformer

1 code implementation • 15 Mar 2024 • Hengxing Cai, Xiaochen Cai, Shuwen Yang, Jiankun Wang, Lin Yao, Zhifeng Gao, Junhan Chang, Sihang Li, Mingjun Xu, Changxin Wang, Hongshuai Wang, Yongge Li, Mujie Lin, Yaqi Li, Yuqi Yin, Linfeng Zhang, Guolin Ke

Scientific literature often includes a wide range of multimodal elements, such as tables, charts, and molecule, which are hard for text-focused LLMs to understand and analyze.

SciAssess: Benchmarking LLM Proficiency in Scientific Literature Analysis

1 code implementation • 4 Mar 2024 • Hengxing Cai, Xiaochen Cai, Junhan Chang, Sihang Li, Lin Yao, Changxin Wang, Zhifeng Gao, Hongshuai Wang, Yongge Li, Mujie Lin, Shuwen Yang, Jiankun Wang, Mingjun Xu, Jin Huang, Xi Fang, Jiaxi Zhuang, Yuqi Yin, Yaqi Li, Changhong Chen, Zheng Cheng, Zifeng Zhao, Linfeng Zhang, Guolin Ke

Recent breakthroughs in Large Language Models (LLMs) have revolutionized scientific literature analysis.

Benchmarking Drug Discovery +2

End-to-End Crystal Structure Prediction from Powder X-Ray Diffraction

no code implementations • 8 Jan 2024 • Qingsi Lai, Lin Yao, Zhifeng Gao, Siyuan Liu, Hongshuai Wang, Shuqi Lu, Di He, LiWei Wang, Cheng Wang, Guolin Ke

XtalNet represents a significant advance in CSP, enabling the prediction of complex structures from PXRD data without the need for external databases or manual intervention.

Contrastive Learning Retrieval

Uni-QSAR: an Auto-ML Tool for Molecular Property Prediction

1 code implementation • 24 Apr 2023 • Zhifeng Gao, Xiaohong Ji, Guojiang Zhao, Hongshuai Wang, Hang Zheng, Guolin Ke, Linfeng Zhang

Recently deep learning based quantitative structure-activity relationship (QSAR) models has shown surpassing performance than traditional methods for property prediction tasks in drug discovery.

Drug Discovery Model Selection +4