MolBind: Multimodal Alignment of Language, Molecules, and Proteins

arXiv:2403.08167v1 Announce Type: new
Abstract: Recent advancements in biology and chemistry have leveraged multi-modal learning, integrating molecules and their natural language descriptions to enhance drug discovery. However, current pre-training frameworks are limited to two modalities, and designing a unified network to process different modalities (e.g., natural language, 2D molecular graphs, 3D molecular conformations, and 3D proteins) remains challenging due to inherent gaps among them. In this work, we propose MolBind, a framework that trains encoders for multiple modalities through contrastive …

abstract alignment arxiv biology chemistry cs.cl cs.lg current designing discovery drug discovery frameworks graphs however language modal molecules multi-modal multimodal natural natural language network pre-training process proteins q-bio.qm training type