Yi Qin Gao

According to our database, Yi Qin Gao authored at least 11 papers between 2020 and 2024.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of four.

2024

Generating High-Precision Force Fields for Molecular Dynamics Simulations to Study Chemical Reaction Mechanisms using Molecular Configuration Transformer.

Sihao Yuan, Xu Han, Zhaoxin Xie, Cheng Fan, Yi Isaac Yang, Yi Qin Gao

CoRR, 2024

2023

DSDP: A Blind Docking Strategy Accelerated by GPUs.

Yupeng Huang, Hong Zhang, Siyuan Jiang, Dajiong Yue, Xiaohan Lin, Jun Zhang, Yi Qin Gao

J. Chem. Inf. Model., July, 2023

Microscopic model on indoor propagation of respiratory droplets.

Manas Mondal, Srabani Chakrabarty, Yi Qin Gao, Dhananjay Bhattacharyya, Jaydeb Chakrabarti

Comput. Biol. Chem., February, 2023

Machine-Learned Invertible Coarse Graining for Multiscale Molecular Modeling.

Jun Zhang, Xiaohan Lin, Weinan E, Yi Qin Gao

CoRR, 2023

2022

Xponge: A Python package to perform pre- and post-processing of molecular simulations.

Yijie Xia, Yi Qin Gao

J. Open Source Softw., 2022

Few-Shot Learning of Accurate Folding Landscape for Protein Structure Prediction.

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

CoRR, 2022

PSP: Million-level Protein Sequence Dataset for Protein Structure Prediction.

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

CoRR, 2022

2020

Toward an understanding of the relation between gene regulation and 3D genome organization.

Hao Tian, Ying Yang, Sirui Liu, Hui Quan, Yi Qin Gao

Quant. Biol., 2020

Molecular CT: Unifying Geometry and Representation Learning for Molecules at Different Scales.

Jun Zhang, Yaqiang Zhou, Yao-Kun Lei, Yi Isaac Yang, Yi Qin Gao

CoRR, 2020

Deep Reinforcement Learning of Transition States.

Jun Zhang, Yao-Kun Lei, Zhen Zhang, Xu Han, Maodong Li, Lijiang Yang, Yi Isaac Yang, Yi Qin Gao

CoRR, 2020

A Perspective on Deep Learning for Molecular Modeling and Simulations.

Jun Zhang, Yao-Kun Lei, Zhen Zhang, Junhan Chang, Maodong Li, Xu Han, Lijiang Yang, Yi Isaac Yang, Yi Qin Gao

CoRR, 2020