Skip to content

Add PotentialMetrics #103

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.

Sign up for GitHub

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

Jump to bottom
Draft
pmrv wants to merge 2 commits into
base: split
Choose a base branch
from
Draft

Add PotentialMetrics #103

pmrv wants to merge 2 commits into from

Conversation

@pmrv
Copy link
Contributor

@pmrv pmrv commented Jun 25, 2024

Calculates metrics for PotentialFit jobs (right now only for training data). Can be accessed as

job  =pr.create.job.Mlip(...)
...
job.run()
job.metrics.energy_rmse # -> float

@github-actions
Copy link

github-actions bot commented Jun 25, 2024

Binder 👈 Launch a binder notebook on branch pyiron/pyiron_potentialfit/split_metrics

@pmrv pmrv added enhancement New feature or request format_black and removed format_black labels Jun 25, 2024
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment

Reviewers

No reviews

Assignees

No one assigned

Labels

enhancement New feature or request format_black

Projects

None yet

Milestone

No milestone

Development

Successfully merging this pull request may close these issues.

3 participants

@pmrv @pyiron-runner