Preprint Open access
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 …