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News/h-MINT: Modeling Pocket-Ligand Binding with Hierarchical Molecular Interaction Network
arxiv
PublishedApril 28, 2026 at 4:00 AM

h-MINT: Modeling Pocket-Ligand Binding with Hierarchical Molecular Interaction Network

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arXiv:2604.23134v1 Announce Type: new Abstract: Accurate molecular representations are critical for drug discovery, and a central challenge lies in capturing the chemical environment of molecular fragments, as key interactions, such as H-bond and {\pi} stacking, occur only under specific local condi

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