12 citations · 13 across the 3 of their papers we have counts for
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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…