Molecular property prediction has been widely considered as one of the most critical tasks in computational drug and materials discovery, as many methods rely on predicted molecular properties to ...

Protein-protein interactions (PPIs) constitute the fundamental building blocks of cellular machinery, orchestrating complex biological processes from signal transduction to metabolic regulation.

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On a Saturday afternoon in the fall of 2021, Silvio Decurtins was leafing through a paper with a title that could have been pulled from a comic book for mathematically inclined teens: “Plato’s Cube ...