BioinformaticsbioRxivPreprint
Interaction Profiles as a Universal Language for Generative Molecular Design with ShEPhERD-2
Kento Abeywardane, Kenji Walker, Connor W. Coley
This paper introduces ShEPhERD-2, a 3D generative model that creates drug-like molecules based on interaction profiles, demonstrating its versatility across multiple design tasks.
DOI 10.64898/2026.09.10.750648