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Chang-Yu Hsieh
Chang-Yu Hsieh
Zhejiang University
Verifisert e-postadresse på zju.edu.cn
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ADMETlab 2.0: an integrated online platform for accurate and comprehensive predictions of ADMET properties
G Xiong, Z Wu, J Yi, L Fu, Z Yang, C Hsieh, M Yin, X Zeng, C Wu, A Lu, ...
Nucleic acids research 49 (W1), W5-W14, 2021
18062021
Could graph neural networks learn better molecular representation for drug discovery? A comparison study of descriptor-based and graph-based models
D Jiang, Z Wu, CY Hsieh, G Chen, B Liao, Z Wang, C Shen, D Cao, J Wu, ...
Journal of cheminformatics 13, 1-23, 2021
5752021
A unified drug–target interaction prediction framework based on knowledge graph and recommendation system
Q Ye, CY Hsieh, Z Yang, Y Kang, J Chen, D Cao, S He, T Hou
Nature communications 12 (1), 6775, 2021
2002021
InteractionGraphNet: a novel and efficient deep graph representation learning framework for accurate protein–ligand interaction predictions
D Jiang, CY Hsieh, Z Wu, Y Kang, J Wang, E Wang, B Liao, C Shen, L Xu, ...
Journal of medicinal chemistry 64 (24), 18209-18232, 2021
1792021
Differentiable quantum architecture search
SX Zhang, CY Hsieh, S Zhang, H Yao
Quantum Science and Technology 7 (4), 045023, 2022
1532022
Physics of lateral triple quantum-dot molecules with controlled electron numbers
CY Hsieh, YP Shim, M Korkusinski, P Hawrylak
Reports on Progress in Physics 75 (11), 114501, 2012
1472012
Multi-constraint molecular generation based on conditional transformer, knowledge distillation and reinforcement learning
J Wang, CY Hsieh, M Wang, X Wang, Z Wu, D Jiang, B Liao, X Zhang, ...
Nature Machine Intelligence 3 (10), 914-922, 2021
1382021
MG-BERT: leveraging unsupervised atomic representation learning for molecular property prediction
XC Zhang, CK Wu, ZJ Yang, ZX Wu, JC Yi, CY Hsieh, TJ Hou, DS Cao
Briefings in bioinformatics 22 (6), bbab152, 2021
1262021
Nonadiabatic dynamics in open quantum-classical systems: Forward-backward trajectory solution
CY Hsieh, R Kapral
The Journal of chemical physics 137 (22), 2012
1242012
Retroprime: A diverse, plausible and transformer-based method for single-step retrosynthesis predictions
X Wang, Y Li, J Qiu, G Chen, H Liu, B Liao, CY Hsieh, X Yao
Chemical Engineering Journal 420, 129845, 2021
1132021
A survey on HHL algorithm: From theory to application in quantum machine learning
B Duan, J Yuan, CH Yu, J Huang, CY Hsieh
Physics Letters A 384 (24), 126595, 2020
1062020
Rethinking the usage of batch normalization and dropout in the training of deep neural networks
G Chen, P Chen, Y Shi, CY Hsieh, B Liao, S Zhang
arXiv preprint arXiv:1905.05928, 2019
1052019
Tensorcircuit: a quantum software framework for the nisq era
SX Zhang, J Allcock, ZQ Wan, S Liu, J Sun, H Yu, XH Yang, J Qiu, Z Ye, ...
Quantum 7, 912, 2023
982023
Two-dimensional transition metal dichalcogenides mediated long range surface plasmon resonance biosensors
Y Xu, CY Hsieh, L Wu, LK Ang
Journal of Physics D: Applied Physics 52 (6), 065101, 2018
932018
A unified stochastic formulation of dissipative quantum dynamics. I. Generalized hierarchical equations
CY Hsieh, J Cao
The Journal of Chemical Physics 148 (1), 2018
932018
Alchemy: A quantum chemistry dataset for benchmarking ai models
G Chen, P Chen, CY Hsieh, CK Lee, B Liao, R Liao, W Liu, J Qiu, Q Sun, ...
arXiv preprint arXiv:1906.09427, 2019
922019
Chemistry-intuitive explanation of graph neural networks for molecular property prediction with substructure masking
Z Wu, J Wang, H Du, D Jiang, Y Kang, D Li, P Pan, Y Deng, D Cao, ...
Nature communications 14 (1), 2585, 2023
892023
Neural predictor based quantum architecture search
SX Zhang, CY Hsieh, S Zhang, H Yao
Machine Learning: Science and Technology 2 (4), 045027, 2021
862021
Analysis of the forward-backward trajectory solution for the mixed quantum-classical Liouville equation
CY Hsieh, R Kapral
The Journal of chemical physics 138 (13), 2013
862013
TrimNet: learning molecular representation from triplet messages for biomedicine
P Li, Y Li, CY Hsieh, S Zhang, X Liu, H Liu, S Song, X Yao
Briefings in Bioinformatics 22 (4), bbaa266, 2021
852021
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Artikler 1–20