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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 117 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

4. SheffieldChemoinformatics/ge-molsg SheffieldChemoinformatics/ge-molsg Public

   Graph-based spectral geometry descriptors that combine molecular shape and electrostatic information in a compact, alignment-free representation. Includes tools for descriptor generation, similarit…

   Python 1