| Direct molecular conformation generation J Zhu, Y Xia, C Liu, L Wu, S Xie, Y Wang, T Wang, T Qin, W Zhou, H Li, ... Transactions on Machine Learning Research, 2022 | 43 | 2022 |
| Enhancing geometric representations for molecules with equivariant vector-scalar interactive message passing Y Wang, T Wang, S Li, X He, M Li, Z Wang, N Zheng, B Shao, TY Liu Nature Communications 15 (1), 313, 2024 | 29* | 2024 |
| Exploring the Regulatory Function of the N‐terminal Domain of SARS‐CoV‐2 Spike Protein through Molecular Dynamics Simulation Y Li, T Wang, J Zhang, B Shao, H Gong, Y Wang, X He, S Liu, TY Liu Advanced theory and simulations 4 (10), 2100152, 2021 | 23 | 2021 |
| Long-Short-Range Message-Passing: A Physics-Informed Framework to Capture Non-Local Interaction for Scalable Molecular Dynamics Simulation Y Li, Y Wang, L Huang, H Yang, X Wei, J Zhang, T Wang, Z Wang, B Shao, ... The Twelfth International Conference on Learning Representations, 2024 | 13 | 2024 |
| Improved drug–target interaction prediction with intermolecular graph transformer S Liu, Y Wang, Y Deng, L He, B Shao, J Yin, N Zheng, TY Liu, T Wang Briefings in Bioinformatics 23 (5), bbac162, 2022 | 11 | 2022 |
| An ensemble of VisNet, Transformer-M, and pretraining models for molecular property prediction in OGB Large-Scale Challenge@ NeurIPS 2022 Y Wang, S Li, Z Wang, X He, B Shao, TY Liu, T Wang arXiv preprint arXiv:2211.12791, 2022 | 6* | 2022 |
| AI2BMD: efficient characterization of protein dynamics with ab initio accuracy T Wang, X He, M Li, Y Wang, Z Wang, S Li, B Shao, TY Liu bioRxiv, 2023.07. 12.548519, 2023 | 3* | 2023 |
| Geometric transformer with interatomic positional encoding Y Wang, S Li, T Wang, B Shao, N Zheng, TY Liu Advances in Neural Information Processing Systems 36, 2024 | 2 | 2024 |
| Flow: Frame-to-Frame Coarse-grained Molecular Dynamics with SE(3) Guided Flow Matching S Li, Y Wang, M Li, J Zhang, B Shao, N Zheng, J Tang arXiv preprint arXiv:2405.00751, 2024 | 1 | 2024 |
| Multi-weight susceptible-infected model for predicting COVID-19 in China J Zhang, N Zheng, M Liu, D Yao, Y Wang, J Wang, J Xin Neurocomputing 534, 161-170, 2023 | | 2023 |
Tie-Yan LiuDistinguished Scientist, Microsoft Research AI4Science | IEEE Fellow | ACM Fellow | AAIA Fellow在 microsoft.com 的电子邮件经过验证
