Yu-Hang Tang

4PUBLICATIONS
5CO-AUTHORS
Statistical mechanics in chemistrySemi- and unsupervised learningBiomolecular modelling and design
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Publications (4)

|Oct 19, 2023
Efficient Exploration of Chemical Compound Space Using Active Learning for Prediction of Thermodynamic Properties of Alkane Molecules.

Yan Xiang, Yu-Hang Tang, Zheng Gong

|Jul 28, 2023
Interpretable Molecular Property Predictions Using Marginalized Graph Kernels.

Yan Xiang, Yu-Hang Tang, Guang Lin

|Nov 01, 2021
A Comparative Study of Marginalized Graph Kernel and Message-Passing Neural Network.

Yan Xiang, Yu-Hang Tang, Guang Lin

|May 17, 2021
Predicting Single-Substance Phase Diagrams: A Kernel Approach on Graph Representations of Molecules.

Yan Xiang, Yu-Hang Tang, Hongyi Liu

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