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I am working on a project of materials property predictions using GNN models and I need the OQMD data in .cif file format. I am able to fetch the data from the database using QMPYRester(), but I don't know how to save them to .cif file. Could you please let me know if there is an API to do so?
Actually I am very new to this domain and being a computer scientist, struggling a bit. So your help will be really helpful.
The text was updated successfully, but these errors were encountered:
I am working on a project of materials property predictions using GNN models and I need the OQMD data in .cif file format. I am able to fetch the data from the database using QMPYRester(), but I don't know how to save them to .cif file. Could you please let me know if there is an API to do so?
Actually I am very new to this domain and being a computer scientist, struggling a bit. So your help will be really helpful.
The text was updated successfully, but these errors were encountered: