Pymatgen ------ used to submit calculation jobs to the Materials Project?

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!

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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

  1. check that MP does not already have the structures,
  2. check that your structures will not be rejected for calculation,
  3. assign “authors” for the submission (MP user accounts with these email addresses can monitor job progress through the MP dashboard), and
  4. (optional) include references for MP users to cite if they use your submitted structures for their research.

Thank you for using the MP platform and for suggesting structures to us for calculation.

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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 ?

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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.

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