63 citations · 117 across the 6 of their papers we have counts for
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q-bio.BM2022★ 34 cited
From Static to Dynamic Structures: Improving Binding Affinity Prediction with Graph-Based Deep Learning
Yaosen Min, Ye Wei, Peizhuo Wang +10
Accurate prediction of protein-ligand binding affinities is an essential challenge in structure-based drug design. Despite recent advances in data-driven methods for affinity predi…
q-bio.BM2022★ 63 cited
KPGT: Knowledge-Guided Pre-training of Graph Transformer for Molecular Property Prediction
Han Li, Dan Zhao, Jianyang Zeng
Designing accurate deep learning models for molecular property prediction plays an increasingly essential role in drug and material discovery. Recently, due to the scarcity of labe…