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

Split download_mace_mp_checkpoint out of mace_mp #602

Merged
merged 2 commits into from
Sep 26, 2024
Merged

Split download_mace_mp_checkpoint out of mace_mp #602

merged 2 commits into from
Sep 26, 2024

Conversation

janosh
Copy link
Contributor

@janosh janosh commented Sep 20, 2024

to only download and return path to checkpoint. for use with openmmml.MacePotential which requires a modelPath rather than an ASE calculator. mace_mp previously didn't expose the auto-downloaded checkpoint path except by extracting it from the function's print output

… return path to checkpoint

for use with openmmml.MLPotential
@ilyes319 ilyes319 changed the base branch from main to develop September 21, 2024 17:10
@ilyes319 ilyes319 merged commit ec288b2 into ACEsuit:develop Sep 26, 2024
1 of 2 checks passed
@janosh janosh deleted the isolate-mace-mp-download branch September 26, 2024 10:00
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.

2 participants