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q-bio.BM2024★ 1 cited
TopoQA: a topological deep learning-based approach for protein complex structure interface quality assessment
Bingqing Han, Yipeng Zhang, Longlong Li +2
Even with the significant advances of AlphaFold-Multimer (AF-Multimer) and AlphaFold3 (AF3) in protein complex structure prediction, their accuracy is still not comparable with mon…
cond-mat.mtrl-sci2024★ 1 cited
Molecular topological deep learning for polymer property prediction
Cong Shen, Yipeng Zhang, Fei Han +1
Accurate and efficient prediction of polymer properties is of key importance for polymer design. Traditional experimental tools and density function theory (DFT)-based simulations…
cs.LG2024★ 1 cited
KA-GNN: Kolmogorov-Arnold Graph Neural Networks for Molecular Property Prediction
Longlong Li, Yipeng Zhang, Guanghui Wang +1
As key models in geometric deep learning, graph neural networks have demonstrated enormous power in molecular data analysis. Recently, a specially-designed learning scheme, known a…