Yi Qin Gao

Publication Activity (10 Years)

Years Active: 2020-2024
Publications (10 Years): 12

Top Topics

Protein Structure Prediction

Reinforcement Learning

Molecular Dynamics

Top Venues

J. Chem. Inf. Model.

Comput. Biol. Chem.

Publications

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 (2024)
Manas Mondal, Srabani Chakrabarty, Yi Qin Gao, Dhananjay Bhattacharyya, Jaydeb Chakrabarti
Microscopic model on indoor propagation of respiratory droplets. Comput. Biol. Chem. 102 (2023)
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) (2023)
Jun Zhang, Xiaohan Lin, Weinan E, Yi Qin Gao
Machine-Learned Invertible Coarse Graining for Multiscale Molecular Modeling. CoRR (2023)
Yupeng Huang, Hong Zhang, Siyuan Jiang, Dajiong Yue, Xiaohan Lin, Jun Zhang, Yi Qin Gao
DSDP: A Blind Docking Strategy Accelerated by GPUs. CoRR (2023)
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 (2022)
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 (2022)
Yijie Xia, Yi Qin Gao
Xponge: A Python package to perform pre- and post-processing of molecular simulations. J. Open Source Softw. 7 (78) (2022)
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) (2020)
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 (2020)
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 (2020)
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 (2020)