Hi Logan,
Thanks a lot for your quick reply - greatly appreciated.
I have changed it as advised, but I am seeing a different error as shown below, which is all I use to set a SOAP featurize (I must have missed something here)...
Many thanks,
Linjiang
Hello Linjiang,
The “fit” operations in matminer require the data as input, which is different than the “featurize_dataframe” operation that takes the name of the column.
Try changing:
“soap_fit.fit(strucs_dataset, ‘Structure_obj’)”
to
“soap_fit.fit(strucs_dataset[‘Structure_obj’])”
Best,
Logan
From: lc...@liverpool.ac.uk
Sent: Sunday, May 5, 2019 4:28 AM
To: matminer
Subject: SOAP featurizer - 'str' object has no attribute 'composition'
Hi there,
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