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  • title: Coarse-to-Fine: a Hierarchical Diffusion Model for Molecule Generation in 3D
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            Coarse-to-Fine: a Hierarchical Diffusion Model for Molecule Generation in 3D
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            Coarse-to-Fine: a Hierarchical Diffusion Model for Molecule Generation in 3D

            Jul 24, 2023

            Sprecher:innen

            BQ

            Bo Qiang

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            YS

            Yuxuan Song

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            MX

            Minkai Xu

            Sprecher:in · 2 Follower:innen

            Über

            Generating desirable molecular structures in 3D is a fundamental problem for drug discovery. Despite the considerable progress we have achieved, existing methods usually generate molecules in atom resolution and ignore intrinsic local structures such as rings, which however are ubiquitous in drug-like biomolecules. Such problems make current methods suffer from poor valid rates for generated structures, especially when generating large molecules. In this paper, we utilize a coarse-to-fine strat…

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