Publications by authors named "Guolin Ke"

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NMRexp: A database of 3.3 million experimental NMR spectra.
Jun-Jie Wang, Yongqi Jin, Chen-Yu Zhi, Yu-Jie Liu, Xu-Hao Huang, Guolin Ke

Sci Data· December 2025

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CD93: A Promising NETs-Related Biomarker for Diagnosis and Therapy in Actinic Keratosis.
Guolin Ke, Tao Yuan, Chen Wu, Min Gao

Onco Targets Ther· September 2025

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Deep learning for sub-ångström-resolution imaging in uncorrected scanning transmission electron microscopy.
Zanlin Qiu, Yuan Meng, Junxian Li, Yanhui Hong, Ning Li, Guolin Ke

Natl Sci Rev· August 2025

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DeePMD-kit v3: A Multiple-Backend Framework for Machine Learning Potentials.
Jinzhe Zeng, Duo Zhang, Anyang Peng, Xiangyu Zhang, Sensen He, Guolin Ke

J Chem Theory Comput· May 2025

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End-to-End Crystal Structure Prediction from Powder X-Ray Diffraction.
Qingsi Lai, Fanjie Xu, Lin Yao, Zhifeng Gao, Siyuan Liu, Guolin Ke

Adv Sci (Weinh)· February 2025

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DPA-2: a large atomic model as a multi-task learner.
Duo Zhang, Xinzijian Liu, Xiangyu Zhang, Chengqian Zhang, Chun Cai, Guolin Ke

NPJ Comput Mater· December 2024

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Accurate Conformation Sampling via Protein Structural Diffusion.
Jiahao Fan, Ziyao Li, Eric Alcaide, Guolin Ke, Huaqing Huang

J Chem Inf Model· November 2024

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Author Correction: Data-driven quantum chemical property prediction leveraging 3D conformations with Uni-Mol.
Shuqi Lu, Zhifeng Gao, Di He, Linfeng Zhang, Guolin Ke

Nat Commun· October 2024

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Bridging Machine Learning and Thermodynamics for Accurate p Prediction.
Weiliang Luo, Gengmo Zhou, Zhengdan Zhu, Yannan Yuan, Guolin Ke

JACS Au· September 2024

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Single-Image-Based Deep Learning for Precise Atomic Defect Identification.
Kangshu Li, Xiaocang Han, Yuan Meng, Junxian Li, Yanhui Hong, Guolin Ke

Nano Lett· August 2024

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Data-driven quantum chemical property prediction leveraging 3D conformations with Uni-Mol.
Shuqi Lu, Zhifeng Gao, Di He, Linfeng Zhang, Guolin Ke

Nat Commun· August 2024

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A comprehensive transformer-based approach for high-accuracy gas adsorption predictions in metal-organic frameworks.
Jingqi Wang, Jiapeng Liu, Hongshuai Wang, Musen Zhou, Guolin Ke

Nat Commun· March 2024

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Node-Aligned Graph-to-Graph: Elevating Template-free Deep Learning Approaches in Single-Step Retrosynthesis.
Lin Yao, Wentao Guo, Zhen Wang, Shang Xiang, Wentan Liu, Guolin Ke

JACS Au· March 2024

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Explore the impact of hypoxia-related genes (HRGs) in Cutaneous melanoma.
Guolin Ke, Nan Cheng, Huiya Sun, Xiumei Meng, Lei Xu

BMC Med Genomics· July 2023

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The value of ACTN1 in the diagnosis of cutaneous squamous cell carcinoma: A continuation study.
Yuan Tao, Lu Xiao-Hong, Ke Guo-Lin, Hu Hua, Jiang Jia-Hui

Skin Res Technol· April 2023

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Cucurbitacin E inhibits cellular proliferation and induces apoptosis in melanoma by suppressing HSDL2 expression.
Wen-Bei Liu, He-Li Wang, Lei Chen, Biao Tang, Guolin Ke

Chin Med· February 2022

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Deep Subdomain Adaptation Network for Image Classification.
Yongchun Zhu, Fuzhen Zhuang, Jindong Wang, Guolin Ke, Jingwu Chen

IEEE Trans Neural Netw Learn Syst· April 2021

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Estradiol inhibits Th17 cell differentiation through inhibition of RORγT transcription by recruiting the ERα/REA complex to estrogen response elements of the RORγT promoter.
Rong-Yi Chen, Yi-Ming Fan, Qiuyang Zhang, Sen Liu, Qingli Li, Guo-Lin Ke

J Immunol· April 2015

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