Hey there,
So OxidationStates and CompositionToOxidComposition are actually different featurizers with different purposes. Composition to OxidComposition is done automatically by automatminer regardless of whether OxidationStates is in the featurizer set. This can be disabled with the guess_oxistates argument to AutoFeaturizer
From the docstring:
guess_oxistates (bool): If True, try to decorate sites with oxidation
state.
Regardless though, this behavior is weird for two reasons:
- why it is trying again to add oxistates if the structures already have them
- why is it hanging
Could you share a small sample of your data so I can debug on my side? Maybe you could open an issue on the repo so I don’t lose track of this issue here?
Thanks,
Alex