-
Notifications
You must be signed in to change notification settings - Fork 276
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
OCPCalculator output_only option #922
Conversation
Codecov ReportAll modified and coverable lines are covered by tests ✅
|
ff7b366
to
e2c1787
Compare
fix lint undo change to packages undo change to packages
e2c1787
to
5e3ee75
Compare
There was a problem hiding this comment.
Choose a reason for hiding this comment
The reason will be displayed to describe this comment to others. Learn more.
lgtm, just nits
only_output, list | ||
), "only output must be a list of targets to output" | ||
for key in only_output: | ||
assert ( |
There was a problem hiding this comment.
Choose a reason for hiding this comment
The reason will be displayed to describe this comment to others. Learn more.
same as above
@@ -80,6 +80,7 @@ def __init__( | |||
max_neighbors: int = 50, | |||
cpu: bool = True, | |||
seed: int | None = None, | |||
only_output: list[str] | None = None, |
There was a problem hiding this comment.
Choose a reason for hiding this comment
The reason will be displayed to describe this comment to others. Learn more.
nit, better to have only_output
as a tuple, since its not meant to be changed at all in the code
fix lint undo change to packages undo change to packages Co-authored-by: Luis Barroso-Luque <[email protected]> Former-commit-id: 3ed7a2142dee24494a8c2c0e7251a4a5ba8d3b31
) fix lint undo change to packages undo change to packages Co-authored-by: Luis Barroso-Luque <[email protected]> Former-commit-id: 7a32302ac1427cf87dcbc2d69001d66345a2fcdb
Some of our publicly available models have an internal config that lists output tasks that dont exist in the model. One example is "PaiNN-IS2RE-OC20-All"
We could patch each checkpoint, but instead we could also add an output_only field to our calculator, which is what this does. Additionally also adds tests for this.