Contrib folder not installed with RDkit pypi installation

MolecularAI / reaction_utils

Utilities for working with datasets of chemical reactions, reaction templates and template extraction.

https://molecularai.github.io/reaction_utils/

Apache License 2.0

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Contrib folder not installed with RDkit pypi installation #3

Closed SGenheden closed 2 years ago

SGenheden commented 2 years ago

The module rxnutils.pipeline.actions.reaction_mod doesn't seem to be importable if RDKit is installed from pypi with pip due to missing Contrib package.

This needs to be investigated.

SGenheden commented 2 years ago

We will make the actions dependent on the Contrib folder optional. The Contrib folder will be included in future versions of the RDKit pypi packages.