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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 91 7

2. abcount abcount Public

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

   Python

3. AstraZeneca/peptide-tools AstraZeneca/peptide-tools Public

   Collection of tools to calculate properties of natural or synthetic peptides and proteins.

   Python 45 7

4. 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