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janosh / matbench-discovery

An evaluation framework for machine learning models simulating high-throughput materials discovery.
https://matbench-discovery.materialsproject.org
MIT License
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fetch_process_wbm_dataset.py: Generating Aflow labels raised exception=KeyError('wyckoff_spglib') #32

Closed pbenner closed 1 year ago

pbenner commented 1 year ago 
> python data/wbm/fetch_process_wbm_dataset.py
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Generating Aflow labels raised exception=KeyError('wyckoff_spglib')
janosh commented 1 year ago

Oops, simple typo. I was creating a placeholder column in the wrong dataframe (df_wbm when it should be df_summary).