Author

Yuchen Zhu

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#machine learning Aug 2025

PepBAN: A Deep Learning Framework with Bilinear Attention and Adversarial Learning for Peptide-Protein Interaction Prediction

PepBAN is introduced, a deep learning framework for modeling PepPI predictions that effectively learns the pattern of pairwise local interactions, enables the identification of key residues participating in the peptide-protein interactions, and offers an intuitive approach to interpret the underlying mechanisms of PepPIs via analyzing attention weights.

Shuaiyan Li, Xiaorui Wang, Yuchen Zhu et al. · Journal of Chemical Informat... · 4 citations

#machine learning Open access May 2025

Token-Mol 1.0: tokenized drug design with large language models

Token-Mol is presented, a token-only 3D drug design model that encodes both 2D and 3D structural information, along with molecular properties, into discrete tokens, which introduces a Gaussian cross-entropy loss function tailored for regression tasks, enabling superior performance across multiple downstream applications.

Ji-Ke Wang, Rui Qin, Mingyang Wang et al. · Nature Communications · 30 citations · ⚡1