I have a question about the Materials Project platform. I know how to submit calculation job to Materials Project. But can I use the Pymatgen to submit calculation job to Materials Project and how?
Thanks a lot!
I have a question about the Materials Project platform. I know how to submit calculation job to Materials Project. But can I use the Pymatgen to submit calculation job to Materials Project and how?
Thanks a lot!
Yes, you can.
See this example Python code for preparing and submitting a bulk submission of structures for calculation. The example Jupyter (iPython) notebook helps you
Thank you for using the MP platform and for suggesting structures to us for calculation.
Thanks a lot!
But I can’t submit job by using this method. It says that “Open only to staff right now.” Then my question is when will the function be public ?
You can. The /rest/v1
endpoint, as specified at the bottom of the example notebook, is public, and is equivalent to submitting through the website. I apologize for this not being documented. We plan to shortly make the default pymatgen endpoint (/rest/v2/
) point to the same functionality and to update the pymatgen method’s docstring to reflect that it is publicly accessible.