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FAIR-Chem / fairchem

FAIR Chemistry's library of machine learning methods for chemistry
https://opencatalystproject.org/
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The use of pre-trained JMP models #719

Closed wakamiya0315 closed 2 months ago

wakamiya0315 commented 4 months ago

I would like to load and use a pre-trained JMP model into the OCPcalculator.

https://jmp-iclr-datasets.s3.amazonaws.com/jmp-l.pt

I could not just download jmp-l.pt from here and set it up as follows.

from fairchem.core import OCPCalculator

checkpoint = 'jmp-l.pt'

calculator = OCPCalculator(
    checkpoint_path = checkpoint,
    cpu = False
)

If there is a way to use it, please let me know.

Any guidance or examples would be greatly appreciated.

Thank you for your help!

github-actions[bot] commented 3 months ago

This issue has been marked as stale because it has been open for 30 days with no activity.