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hackingmaterials / automatminer

An automatic engine for predicting materials properties.
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Oxidation states are decorated by CompositionToOxidComposition even after being done in structure #344

Open ardunn opened 4 years ago

ardunn commented 4 years ago

See https://matsci.org/t/compositiontooxidcomposition-hangs/34383/2

KirbyBroderick commented 4 years ago

Here's a colab link replicating the problem on a toy dataset.