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fetch_process_wbm_dataset.py: Generating Aflow labels raised exception=KeyError('wyckoff_spglib') #32

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pbenner opened this issue May 9, 2023 · 1 comment · Fixed by #34
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fetch_process_wbm_dataset.py: Generating Aflow labels raised exception=KeyError('wyckoff_spglib') #32

pbenner opened this issue May 9, 2023 · 1 comment · Fixed by #34
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bug Something isn't working data Data loading and processing

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pbenner commented May 9, 2023 

> python data/wbm/fetch_process_wbm_dataset.py
[...]
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Generating Aflow labels raised exception=KeyError('wyckoff_spglib')
janosh added a commit that referenced this issue May 9, 2023
@janosh
fix Generating Aflow labels raised exception=KeyError('wyckoff_spglib…
5dff77f 
…') (closes #32)
@janosh janosh mentioned this issue May 9, 2023
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@janosh janosh added bug Something isn't working data Data loading and processing labels May 9, 2023
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janosh commented May 9, 2023

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

@janosh janosh closed this as completed in #34 May 9, 2023
janosh added a commit that referenced this issue May 9, 2023
@janosh
Fix KeyError('wyckoff_spglib') in fetch_process_wbm_dataset.py (#34)
9a42546 
* fix Generating Aflow labels raised exception=KeyError('wyckoff_spglib') (closes #32)

* move out_dir of site-stats.json.gz to data/(wbm|mp) (closes #33)
janosh added a commit that referenced this issue Jun 20, 2023
@janosh
Fix KeyError('wyckoff_spglib') in fetch_process_wbm_dataset.py (#34)
78beb45 
* fix Generating Aflow labels raised exception=KeyError('wyckoff_spglib') (closes #32)

* move out_dir of site-stats.json.gz to data/(wbm|mp) (closes #33)
janosh added a commit that referenced this issue Jun 20, 2023
@janosh
Fix KeyError('wyckoff_spglib') in fetch_process_wbm_dataset.py (#34)
ad9d8aa 
* fix Generating Aflow labels raised exception=KeyError('wyckoff_spglib') (closes #32)

* move out_dir of site-stats.json.gz to data/(wbm|mp) (closes #33)
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Fix KeyError('wyckoff_spglib') in fetch_process_wbm_dataset.py janosh/matbench-discovery
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