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  1. REINVENT4 REINVENT4 Public

    Forked from MolecularAI/REINVENT4

    AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.

    Python

  2. visinf/n3net visinf/n3net Public

    Neural Nearest Neighbors Networks (NIPS*2018)

    Python 288 45

  3. MolecularAI/REINVENT4 MolecularAI/REINVENT4 Public

    AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.

    Python 388 97