Integrating supercomputing and artificial intelligence for life science.

Rao, Jiahua; Zheng, Shuangjia; Yang, Yuedong · Patterns (N Y) · 2022

basic_science · Level V

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Abstract

Jiahua Rao and Shuangjia Zheng are Ph.D. students in Prof. Yang's lab (Supercomputing And AI for Life science, SAIL Lab) at Sun Yat-sen University. They recently developed an interpretable framework to quantitatively assess the interpretability of Graph Neural Network (GNN) and made comparison with medicinal chemists. Their meaningful benchmarking and rigorous framework would greatly benefit development of new interpretable methods in GNNs.