1.8k citations · 1.8k 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…
cs.NE2016★ 1.8k cited
DoReFa-Net: Training Low Bitwidth Convolutional Neural Networks with Low Bitwidth Gradients
Shuchang Zhou, Yuxin Wu, Zekun Ni +3
We propose DoReFa-Net, a method to train convolutional neural networks that have low bitwidth weights and activations using low bitwidth parameter gradients. In particular, during…