This paper proposes BioWave, a multi-hop diffusion-wavelet model that learns both structural and semantic representations for accurate CMI prediction and achieves superior performance compared to state-of-the-art baselines, particularly in zero-shot settings.
Mengmeng Wei, Lei Wang, Peng-Wei Hu et al.· Proceedings of the 32nd ACM...· 0 citations
MuSeL is proposed, a multi-scale adaptive graph representation learning framework that jointly mitigates the above issues from two complementary perspectives: global topology modeling and local structure optimization.
Yuehu Wu, Lei Wang, Zhengwei Li et al.· Proceedings of the 32nd ACM...· 0 citations
MuSeL is proposed, a multi-scale adaptive graph representation learning framework that jointly mitigates the above issues from two complementary perspectives: global topology modeling and local structure optimization.
Yuehu Wu, Lei Wang, Zhengwei Li et al.· Proceedings of the 32nd ACM...· 0 citations
A novel committor learning framework grounded in the AlphaFold 3 paradigm is proposed that elucidates how ligand substituents regulate the ratio between distinct binding pathways, offering new perspectives for structure-based drug design.
Jintu Zhang, Zichang Jin, Huifeng Zhao et al.· 0 citations
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