I want to know that for a particular dataset that I have, which featurizers would be helpful to generate? How to know which module would be relevant depending on the properties that I have in my dataset?
For example, i have the compositions in my dataset. But when i use CompositionToStructureFromMP () to convert it into structures, i get only NaN. I dont get the new feature. Kindly help.
For your second question, do you have some example code we can try to reproduce the issue with? It might be the case that the materials project does not have structures matching the compositions you are looking for.
Note that CompositionToStructureFromMP() should only work if your compositions are ones that in the MP database, usually simple inorganic compounds like SiO2. If you are not seeing results but are confident the compositions are present in the Materials Project database please let us know the composition(s) that are failing.
@Anubhav_Jain Just a follow up regarding the compositions I am using.
I have created my own dataset (of binary nitrides) with the compositions taken from the Materials Project database. That should be fine right? I believe we can load our own datasets and work, and it need not always be imported from matminer? But I still get NaN for simple compounds like SiO2 and Al2O3. Please find attached a snapshot of the same.
"MPRestError: REST query returned with error status code 403. Content: b’{“valid_response”: false, “error”: “API_KEY is not supplied.”, “version”: {“db”: “2021_02_08”, “pymatgen”: “2021.2.8.1”, “rest”: “2.0”}, “created_at”: “2021-03-02T17:58:24.373420”}’
TO SKIP THESE ERRORS when featurizing specific compounds, set ‘ignore_errors=True’ when running the batch featurize() operation (e.g., featurize_many(), featurize_dataframe(), etc.). "