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halx (Hannes Loeffler) · GitHub

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  1. MolecularAI/REINVENT4 MolecularAI/REINVENT4 Public

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

    Python 850 228

  2. 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 4

  3. FWAnalysis FWAnalysis Public

    Forked from AstraZeneca/FWAnalysis

    Free Wilson analysis

    Python

  4. gnina gnina Public

    Forked from gnina/gnina

    A deep learning framework for molecular docking

    C++

  5. maize-contrib maize-contrib Public

    Forked from MolecularAI/maize-contrib

    Contributed and additional nodes for maize

    Python

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