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AstraZeneca / jazzy

Fast calculation of hydrogen-bond strengths and free energy of hydration of small molecules.
https://jazzy.readthedocs.io/en/latest/
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Introduce test for random seed that makes compound fail #469

Closed ghiander closed 1 month ago

ghiander commented 1 month ago

Describe the solution you'd like smiles.txt

This was previously reported in https://github.com/AstraZeneca/jazzy/issues/445#issuecomment-2245554637

ghiander commented 1 month ago

Closed as duplicate

https://github.com/AstraZeneca/jazzy/issues/445