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  1. 3d-prot-dta 3d-prot-dta Public

    3DProtDTA: a deep learning model for drug-target affinity prediction based on residue-level protein graphs

    Python 14 2

  2. pocket-cfdm pocket-cfdm Public

    Augmenting a training dataset of the generative diffusion model for molecular docking with artificial binding pockets

    Python 9 1

  3. rai-chem rai-chem Public

    Python