52 citations · 64 across the 6 of their papers we have counts for
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cs.LG2022★ 6 cited
Physics-aware Graph Neural Network for Accurate RNA 3D Structure Prediction
Shuo Zhang, Yang Liu, Lei Xie
Biological functions of RNAs are determined by their three-dimensional (3D) structures. Thus, given the limited number of experimentally determined RNA structures, the prediction o…
q-bio.BM2022★ 6 cited
Efficient and Accurate Physics-aware Multiplex Graph Neural Networks for 3D Small Molecules and Macromolecule Complexes
Shuo Zhang, Yang Liu, Lei Xie
Recent advances in applying Graph Neural Networks (GNNs) to molecular science have showcased the power of learning three-dimensional (3D) structure representations with GNNs. Howev…
q-bio.BM2022
Reinforcement Learning for Personalized Drug Discovery and Design for Complex Diseases: A Systems Pharmacology Perspective
Ryan K. Tan, Yang Liu, Lei Xie
Many multi-genic systemic diseases such as neurological disorders, inflammatory diseases, and the majority of cancers do not have effective treatments yet. Reinforcement learning p…