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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 16 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 1