773 citations · 2.9k across the 80 of their papers we have counts for
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cs.LG2021
Docking-based Virtual Screening with Multi-Task Learning
Zijing Liu, Xianbin Ye, Xiaomin Fang +3
Machine learning shows great potential in virtual screening for drug discovery. Current efforts on accelerating docking-based virtual screening do not consider using existing data…
cs.LG2021★ 6 cited
HelixMO: Sample-Efficient Molecular Optimization in Scene-Sensitive Latent Space
Zhiyuan Chen, Xiaomin Fang, Zixu Hua +3
Efficient exploration of the chemical space to search the candidate drugs that satisfy various constraints is a fundamental task of drug discovery. Advanced deep generative methods…
cs.LG2021★ 616 cited
ChemRL-GEM: Geometry Enhanced Molecular Representation Learning for Property Prediction
Xiaomin Fang, Lihang Liu, Jieqiong Lei +6
Effective molecular representation learning is of great importance to facilitate molecular property prediction, which is a fundamental task for the drug and material industry. Rece…