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  1. MolecularAI/REINVENT4MolecularAI/REINVENT4Public

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

    Python 841 230

  2. REINVENT4REINVENT4Public

    Forked from MolecularAI/REINVENT4

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

    Python 4

  3. FWAnalysisFWAnalysisPublic

    Forked from AstraZeneca/FWAnalysis

    Free Wilson analysis

    Python

  4. gninagninaPublic

    Forked from gnina/gnina

    A deep learning framework for molecular docking

    C++

  5. maize-contribmaize-contribPublic

    Forked from MolecularAI/maize-contrib

    Contributed and additional nodes for maize

    Python