chemiscope.metatensor_featurizer #357
Merged
Conversation
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
Luthaf
reviewed
Aug 13, 2024
sofiia-chorna
changed the title
|
The idea was to rename the branch but remain the PR (unsuccessfully ^^), finally I will keep this one for convenience of review |
Luthaf
reviewed
Sep 12, 2024
Luthaf
reviewed
Sep 13, 2024
Luthaf
force-pushed
the
torchscript_featurizer
branch
from
0f9d202 to
3f31d13
Compare
|
I rebased and updated the example a bit to show the simple case of using a pre-trained model first. This should be good to go for me, @ceriottm do you want to give this a quick look? |
This allows taking a metatensor model that compute "features" and use it in chemiscope.explore
Luthaf
force-pushed
the
torchscript_featurizer
branch
from
3f31d13 to
77b00ff
Compare
Luthaf
approved these changes
Sep 26, 2024
Sign up for free
to join this conversation on GitHub.
Already have an account?
Sign in to comment
Add this suggestion to a batch that can be applied as a single commit.
This suggestion is invalid because no changes were made to the code.
Suggestions cannot be applied while the pull request is closed.
Suggestions cannot be applied while viewing a subset of changes.
Only one suggestion per line can be applied in a batch.
Add this suggestion to a batch that can be applied as a single commit.
Applying suggestions on deleted lines is not supported.
You must change the existing code in this line in order to create a valid suggestion.
Outdated suggestions cannot be applied.
This suggestion has been applied or marked resolved.
Suggestions cannot be applied from pending reviews.
Suggestions cannot be applied on multi-line comments.
Suggestions cannot be applied while the pull request is queued to merge.
Suggestion cannot be applied right now. Please check back later.
The function that takes a metatensor model and returns a function to be used in
chemiscope.exploreas a featurizer.