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Unpicking the knot
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Unpicking the knot

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  1. AstraZeneca/jazzy AstraZeneca/jazzy Public

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

    Python 115 12

  2. abcount abcount Public

    Extended cheminformatics package to work with acidic and basic groups in molecules.

    Python 1 1

  3. chemprop-jazzy chemprop-jazzy Public

    Forked from chemprop/chemprop

    Extended version of the Chemprop framework that allows the calculation of atomistic and molecular Jazzy/Kallisto features.

    Python 16