Import only rdkit.Chem (not rdkit.AllChem) and relevant submodules

pnnl / isicle

In silico chemical library engine for high-accuracy chemical property prediction

BSD 3-Clause "New" or "Revised" License

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Import only rdkit.Chem (not rdkit.AllChem) and relevant submodules #22

Open smcolby opened 11 months ago

smcolby commented 11 months ago

rdkit.AllChem imports all submodules. For use in our package, importing only rdkit.Chem followed by specific submodule imports to minimize overhead.