12 citations · 13 across the 3 of their papers we have counts for
3 papers
physics.chem-ph2021
ChemiRise: a data-driven retrosynthesis engine
Xiangyan Sun, Ke Liu, Yuquan Lin +9
We have developed an end-to-end, retrosynthesis system, named ChemiRise, that can propose complete retrosynthesis routes for organic compounds rapidly and reliably. The system was…
q-bio.QM2021★ 1 cited
Molecular modeling with machine-learned universal potential functions
Ke Liu, Zekun Ni, Zhenyu Zhou +7
Molecular modeling is an important topic in drug discovery. Decades of research have led to the development of high quality scalable molecular force fields. In this paper, we show…
q-bio.BM2017★ 12 cited
Prediction of amino acid side chain conformation using a deep neural network
Ke Liu, Xiangyan Sun, Jun Ma +7
A deep neural network based architecture was constructed to predict amino acid side chain conformation with unprecedented accuracy. Amino acid side chain conformation prediction is…