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Unravelling the knot
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Unravelling 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 73 6

  2. novana novana Public

    Novana is a cheminformatics tool that extends the decomposition of molecules into Bemis-Murcko frameworks.

    Python 33 4

  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 14

  4. ctranslate2-fastapi ctranslate2-fastapi Public

    FastAPI wrapper for ctranslate2 models with API schema matching that of OpenAI

    Python 1