Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

best_val_mae_both_model is not written if do_forces = MLIP_SETTINGS.USE_FORCES = False #397

Merged
merged 5 commits into from
Nov 27, 2024

Conversation

DavideTisi
Copy link
Contributor

@DavideTisi DavideTisi commented Nov 19, 2024

Try to fix #394, the main source of error is in cosmo-pet and at least the fix in #6 is needed to the train to start, the change in this PR is required to finish the training since as in the title best_val_mae_both_model is not written if do_forces = MLIP_SETTINGS.USE_FORCES = False


📚 Documentation preview 📚: https://metatrain--397.org.readthedocs.build/en/397/

@abmazitov
Copy link
Contributor

abmazitov commented Nov 20, 2024

Thank you @DavideTisi ! It is actually my bad, because I initially wanted it to be like

if do_forces:
    load_path = self.pet_dir / "best_val_mae_both_model_state_dict"
else:
    load_path = self.pet_dir / "best_val_mae_energies_model_state_dict"

but messed it up a bit because for one second I thought that "do_forces" means "do_ONLY_forces". Could you please change as I suggested? It is the standard way we export our models (with forces and best_mae_both_state_dict).

@DavideTisi
Copy link
Contributor Author

now that cosmo-pet #6 is merge we can merge also this one.
if you are ok with it @frostedoyster @abmazitov

Copy link
Collaborator

@frostedoyster frostedoyster left a comment

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

I would wait for #399 and make sure it works with it @abmazitov

@abmazitov
Copy link
Contributor

abmazitov commented Nov 25, 2024

#399 is merged, so this PR can be merged as well (after being updated OFC)

@frostedoyster frostedoyster merged commit af0b280 into main Nov 27, 2024
13 checks passed
@frostedoyster frostedoyster deleted the fix-only-energy-pet branch November 27, 2024 11:36
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
None yet
Projects
None yet
Development

Successfully merging this pull request may close these issues.

training with pet only on energies
3 participants