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CederGroupHub / chgnet

Pretrained universal neural network potential for charge-informed atomistic modeling https://chgnet.lbl.gov
https://doi.org/10.1038/s42256-023-00716-3
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Add `wandb` logging support to `Trainer` class #166

Closed janosh closed 1 month ago

janosh commented 1 month ago

@BowenD-UCB let me know if you'd like to review this

here's the run metadata that's recorded by default

Screenshot 2024-06-12 at 18 55 50

BowenD-UCB commented 1 month ago

Thanks for the implementation! I can take a look into the wandb logger later, I assume it's already working well on your side? Is it possible to add some test to this?

janosh commented 1 month ago

I can take a look into the wandb logger later, I assume it's already working well on your side?

yes

Is it possible to add some test to this?

i did in e7ef618. happy to add more if we can think of good tests.

EDIT: extended the test coverage to extra_run_config in bc87fd0