AstraZeneca / jazzy

Fast calculation of hydrogen-bond strengths and free energy of hydration of small molecules.

https://jazzy.readthedocs.io/en/latest/

AstraZeneca/jazzy Issues

Complex values raise uncaught exception
Closed 2 months ago4
Jazzy overrides the 'logging' class attributes instead of creating an instance of a logger
Closed 2 months ago
Update dependencies for compatibility in integration
Closed 8 months ago2
IndexError when processing a single hydrogen
Closed 9 months ago1
SQLAlchemy included in Jazzy dependencies?
Closed a year ago3
Interpreting SDC/SDX values - are these on the same scale?
Closed 9 months ago4
pickle module load
Closed a year ago2
rdkit_molecule_from_smiles error
Closed a year ago1
Is it essential to restrict the version of click in jazzy?
Closed a year ago1
The package depends on old click.
Closed a year ago6
RDKit embedding fails for valid SMILES
Closed a year ago1
Empty string passed into deltag_from_smiles throws a ValueError rather than an JazzyError
Closed 2 years ago2