EDMolGPT generates drug-like molecules from low-resolution electron density point clouds of holo binding pockets and shows effectiveness across 101 biological targets.
arXiv preprint arXiv:2308.07413 , year=
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From Holo Pockets to Electron Density: GPT-style Drug Design with Density
EDMolGPT generates drug-like molecules from low-resolution electron density point clouds of holo binding pockets and shows effectiveness across 101 biological targets.