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  1. kallisto kallisto Public

    Forked from AstraZeneca/kallisto

    Efficiently calculate 3D-features for quantitative structure-activity relationship approaches.

    Python

  2. MD_PLIP MD_PLIP Public

    Jupyter Notebook

  3. plip_to_2D plip_to_2D Public

    Jupyter Notebook

  4. GE2024_demographics GE2024_demographics Public

    Jupyter Notebook

  5. jazzy jazzy Public

    Forked from AstraZeneca/jazzy

    Fast calculation of hydrogen-bond strengths and free energy of hydration of small molecules.

    Python

  6. GP_qsar GP_qsar Public

    Python