| 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 | 420 | 2021 |
| 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), 1-23, 2021 | 196 | 2021 |
| 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 | 134 | 2012 |
| Nonadiabatic dynamics in open quantum-classical systems: Forward-backward trajectory solution CY Hsieh, R Kapral The Journal of chemical physics 137 (22), 22A507, 2012 | 104 | 2012 |
| 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), 134110, 2013 | 75 | 2013 |
| A unified stochastic formulation of dissipative quantum dynamics. I. Generalized hierarchical equations CY Hsieh, J Cao The Journal of Chemical Physics 148 (1), 014103, 2018 | 69 | 2018 |
| 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 | 60 | 2019 |
| 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 | 59 | 2019 |
| 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 | 54 | 2018 |
| Accurate long-time mixed quantum-classical Liouville dynamics via the transfer tensor method AA Kananenka, CY Hsieh, J Cao, E Geva The journal of physical chemistry letters 7 (23), 4809-4814, 2016 | 53 | 2016 |
| A unified stochastic formulation of dissipative quantum dynamics. II. Beyond linear response of spin baths CY Hsieh, J Cao The Journal of Chemical Physics 148 (1), 014104, 2018 | 51 | 2018 |
| 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 | 45 | 2021 |
| 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 | 44 | 2021 |
| 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 | 43 | 2021 |
| 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 | 43 | 2021 |
| Differentiable quantum architecture search SX Zhang, CY Hsieh, S Zhang, H Yao Quantum Science and Technology 7 (4), 045023, 2022 | 41 | 2022 |
| 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 | 40 | 2021 |
| A mixed quantum-classical Liouville study of the population dynamics in a model photo-induced condensed phase electron transfer reaction N Rekik, CY Hsieh, H Freedman, G Hanna The Journal of Chemical Physics 138 (14), 144106, 2013 | 39 | 2013 |
| Quantum algorithms for feedforward neural networks J Allcock, CY Hsieh, I Kerenidis, S Zhang ACM Transactions on Quantum Computing 1 (1), 1-24, 2020 | 38 | 2020 |
| Nonadiabatic dynamics via the symmetrical quasi-classical method in the presence of anharmonicity AA Kananenka, CY Hsieh, J Cao, E Geva The Journal of Physical Chemistry Letters 9 (2), 319-326, 2018 | 38 | 2018 |
Shengyu Zhang（张胜誉）TencentVerified email at cse.cuhk.edu.hk
