ASEAtomstoStructure Featurizer not Working


I hope that you are doing well.

For some reason, out of all the available featurizers at hand, the ASEAtomstoStructure featurizer (under the conversions module) yields a “cannot import” error message. So far, I have successfully used other conversion featurizers such as CompositionToStructureFromMP and StrToComposition in my matminer and automatminer coding endeavours, and I have ASE itself up and running on my computer.

ASEAtomstoStructure seems to be the only featurizer that just does not work. Could it be possible that it has been deprecated? I have tried removing and reinstalling matminer several times, but to no avail. I would greatly appreciate any help!

Jon Snow

Can you post the full error?

This will help us debug the problem.

My guess is that you do not have ase installed and an import of is failing or something. But I can only guess unless we can debug the stacktrace.

ImportError: cannot import name ‘ASEAtomstoStructure’ from ‘matminer.featurizers.conversions’ (/Users/jonsnow/opt/anaconda3/lib/python3.8/site-packages/matminer/featurizers/

Upon investigating the actual script, it seems as if ASEAtomstoStructure is completely missing! The base ConversionFeaturizer is present, along with StrToComposition, StructuretoIStructure, DictToObject, JsonToObject, StructuretoOxidStructure, CompositionToOxidComposition, and CompositionToStructurefromMP. But oddly enough, not the featurizer that I would like. Thanks!

Do you have the newest version of matminer?

You should upgrade if not, $: pip install --upgrade matminer