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Guolin Ke

4PUBLICATIONS
11CO-AUTHORS
Cheminformatics and quantitative structure-activity relationshipsQuantum optics and quantum optomechanicsTheoretical quantum chemistryComputational methods in fluid flow, heat and mass transfer (incl. computational fluid dynamics)
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Journal

Publications (4)

Sort by Publication Date:
|Apr 02, 2026
NMR-Solver: automated structure elucidation via large-scale spectral matching and physics-guided fragment optimization.

Yongqi Jin, Jun-Jie Wang, Fanjie Xu

|Oct 02, 2024
Author Correction: Data-driven quantum chemical property prediction leveraging 3D conformations with Uni-Mol.

Shuqi Lu, Zhifeng Gao, Di He

|Aug 19, 2024
Data-driven quantum chemical property prediction leveraging 3D conformations with Uni-Mol.

Shuqi Lu, Zhifeng Gao, Di He

|Mar 01, 2024
A comprehensive transformer-based approach for high-accuracy gas adsorption predictions in metal-organic frameworks.

Jingqi Wang, Jiapeng Liu, Hongshuai Wang

Pageof 1

Frequent Collaborators

4 joint publications

Zhifeng Gao

2 joint publications

Shuqi Lu

2 joint publications

Di He

1 joint publications

Jiapeng Liu

1 joint publications

Hongshuai Wang

1 joint publications

Musen Zhou

1 joint publications

Jianzhong Wu

1 joint publications

Diannan Lu

1 joint publications

Yongqi Jin

1 joint publications

Fanjie Xu

Frequent Collaborators

4 joint publications

Zhifeng Gao

2 joint publications

Shuqi Lu

2 joint publications

Di He

1 joint publications

Jiapeng Liu

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