ReactEmbed aligns frozen protein and molecule embeddings via contrastive learning on a reaction co-occurrence graph, claiming consistent downstream improvements and zero-shot BBB permeability transfer to protein-LNP complexes.
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ReactEmbed: A Plug-and-Play Module for Unifying Protein-Molecule Representations Guided by Biochemical Reaction Networks
ReactEmbed aligns frozen protein and molecule embeddings via contrastive learning on a reaction co-occurrence graph, claiming consistent downstream improvements and zero-shot BBB permeability transfer to protein-LNP complexes.