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2020 – today
- 2024
[i8]Sihao Yuan, Xu Han, Zhaoxin Xie, Cheng Fan, Yi Isaac Yang, Yi Qin Gao:
Generating High-Precision Force Fields for Molecular Dynamics Simulations to Study Chemical Reaction Mechanisms using Molecular Configuration Transformer. CoRR abs/2401.00499 (2024)- 2023
- [j4]Manas Mondal
, Srabani Chakrabarty, Yi Qin Gao, Dhananjay Bhattacharyya, Jaydeb Chakrabarti:
Microscopic model on indoor propagation of respiratory droplets. Comput. Biol. Chem. 102: 107806 (2023) - [j3]Yupeng Huang, Hong Zhang, Siyuan Jiang, Dajiong Yue, Xiaohan Lin, Jun Zhang, Yi Qin Gao:
DSDP: A Blind Docking Strategy Accelerated by GPUs. J. Chem. Inf. Model. 63(14): 4355-4363 (2023) - [i7]Yupeng Huang, Hong Zhang, Siyuan Jiang, Dajiong Yue, Xiaohan Lin, Jun Zhang, Yi Qin Gao:
DSDP: A Blind Docking Strategy Accelerated by GPUs. CoRR abs/2303.09916 (2023) - [i6]Jun Zhang, Xiaohan Lin, Weinan E, Yi Qin Gao:
Machine-Learned Invertible Coarse Graining for Multiscale Molecular Modeling. CoRR abs/2305.01243 (2023) - 2022
- [j2]Yijie Xia, Yi Qin Gao:
Xponge: A Python package to perform pre- and post-processing of molecular simulations. J. Open Source Softw. 7(78): 4467 (2022) - [i5]Sirui Liu, Jun Zhang, Haotian Chu, Min Wang, Boxin Xue, Ningxi Ni, Jialiang Yu, Yuhao Xie, Zhenyu Chen, Mengyun Chen, Yuan Liu, Piya Patra, Fan Xu, Jie Chen, Zidong Wang, Lijiang Yang, Fan Yu, Lei Chen, Yi Qin Gao:
PSP: Million-level Protein Sequence Dataset for Protein Structure Prediction. CoRR abs/2206.12240 (2022) - [i4]Jun Zhang, Sirui Liu, Mengyun Chen, Haotian Chu, Min Wang, Zidong Wang, Jialiang Yu, Ningxi Ni, Fan Yu, Diqing Chen, Yi Isaac Yang, Boxin Xue, Lijiang Yang, Yuan Liu, Yi Qin Gao:
Few-Shot Learning of Accurate Folding Landscape for Protein Structure Prediction. CoRR abs/2208.09652 (2022) - 2020
- [j1]Hao Tian, Ying Yang, Sirui Liu, Hui Quan, Yi Qin Gao:
Toward an understanding of the relation between gene regulation and 3D genome organization. Quant. Biol. 8(4): 295-311 (2020) - [i3]Jun Zhang, Yao-Kun Lei, Zhen Zhang, Junhan Chang, Maodong Li, Xu Han, Lijiang Yang, Yi Isaac Yang, Yi Qin Gao:
A Perspective on Deep Learning for Molecular Modeling and Simulations. CoRR abs/2004.13011 (2020) - [i2]Jun Zhang, Yao-Kun Lei, Zhen Zhang, Xu Han, Maodong Li, Lijiang Yang, Yi Isaac Yang, Yi Qin Gao:
Deep Reinforcement Learning of Transition States. CoRR abs/2011.06700 (2020) - [i1]Jun Zhang, Yaqiang Zhou, Yao-Kun Lei, Yi Isaac Yang, Yi Qin Gao:
Molecular CT: Unifying Geometry and Representation Learning for Molecules at Different Scales. CoRR abs/2012.11816 (2020)
Coauthor Index
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