Jazzy a Python library to calculate a set of atomic/molecular descriptors

Just spotted a very interesting paper “Fast calculation of hydrogen-bond strengths and free energy of hydration of small molecules”  DOI

Jazzy is a Python library that allows you to calculate a set of atomic/molecular descriptors which include the Gibbs free energy of hydration (kJ/mol), its polar/apolar components, and the hydrogen-bond strength of donor and acceptor atoms using either SMILES or MOL/SDF inputs. Jazzy is easy to use, does not require expensive hardware, and produces accurate estimations within milliseconds to seconds for drug-like molecules. The library also exposes functionalities to depict molecules with atomistic hydrogen-bond strengths in two or three dimensions.

Code is on GitHub https://github.com/AstraZeneca/jazzy

And there is a really useful cookbook with examples. https://jazzy.readthedocs.io/en/latest/cookbook.html.

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