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Unravelling the knot
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Unravelling the knot
22 followers · 9 following

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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 76 6

  2. 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 15