Comments (2)
I guess a quick question is can't all these be achieved by pre-processing the structures beforehand? E.g., Simply change all first indices to some unused element? We can also potentially support the special Pymatgen DummySpecies X. That should address all these issues.
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We can also potentially support the special Pymatgen DummySpecies X. That should address all these issues.
This is exactly what I mean, basically. Is there any easy way to add this into the featurization scheme? It's also reasonable to just change the structure itself beforehand. As long as "X" is supported.
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Related Issues (20)
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