2 code implementations • 20 Aug 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
Data-driven predictive methods which can efficiently and accurately transform protein sequences into biologically active structures are highly valuable for scientific research and medical development.
2 code implementations • 24 Jun 2022 • 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
We provide in addition the benchmark training procedure for SOTA protein structure prediction model on this dataset.
no code implementations • 13 Nov 2020 • Jun Zhang, Yao-Kun Lei, Zhen Zhang, Xu Han, Maodong Li, Lijiang Yang, Yi Isaac Yang, Yi Qin Gao
Combining reinforcement learning (RL) and molecular dynamics (MD) simulations, we propose a machine-learning approach (RL$^\ddag$) to automatically unravel chemical reaction mechanisms.
no code implementations • 25 Apr 2020 • Jun Zhang, Yao-Kun Lei, Zhen Zhang, Junhan Chang, Maodong Li, Xu Han, Lijiang Yang, Yi Isaac Yang, Yi Qin Gao
Deep learning is transforming many areas in science, and it has great potential in modeling molecular systems.