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#machine learning Preprint Sep 2026

MoTIF-X: A Multimodal Tokenized Framework for Interpretable and Extensible Molecular Representation Learning

Molecular representation learning is central to computer-aided drug discovery. Molecular graphs, SMILES strings, and 3D conformations provide complementary structural information, yet many multimodal approaches encode these views independently and align them only at a later stage, limiting fine-grained cross-modal inte...

Lin-Qing Mo, Jia-Yu Zhou, Bin Chen · 0 citations

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