Nature Machine Intelligence


Machine learning methods in cheminformatics have made great progress in using chemical structures of molecules, but a large portion of textual information remains scarcely explored. Liu and colleagues trained MoleculeSTM, a foundation model that aligns the structure and text modalities through contrastive learning, and show its utility on the downstream tasks of structure–text retrieval, text-guided editing and molecular property prediction.


Leave a Reply

Your email address will not be published. Required fields are marked *