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kjappelbaum / mofdscribe

An ecosystem for digital reticular chemistry
https://mofdscribe.readthedocs.io/en/latest/
MIT License
44 stars 7 forks source link

feat: implement MOFBaseFeaturizer #317

Closed kjappelbaum closed 2 years ago

kjappelbaum commented 2 years ago

one annoying thing is that we also need to patch featurize_many and featurize_wrapper to get the primitive only once.

The same with MultipleFeaturizer

An alternative would have been to always pipe the get_primitive call in as a pipeline step. However, this will lead to even more convoluted code (?)

And it also needs to happen in fit for consistency.

Would also need to add note to developer guide about difference between featurize and _featurize

kjappelbaum commented 2 years ago

The missing thing now is to implement the _get_primitive call for the fit methods.