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  1. LS-MolGen LS-MolGen Public

    A ligand-and-structure dual-driven deep reinforcement learning method for target-specific molecular generation

    Jupyter Notebook 32 3

  2. ScaffoldGVAE ScaffoldGVAE Public

    Forked from ecust-hc/ScaffoldGVAE

    ScaffoldGVAE: A Variational Autoencoder Based on Multi-View Graph Neural Networks for Scaffold Generation and Scaffold Hopping of Drug Molecules

    Jupyter Notebook