Load a checkpoint file from wandb directly into a potential.#311
Merged
chrisiacovella merged 20 commits intochoderalab:mainfrom Nov 14, 2024
Merged
Load a checkpoint file from wandb directly into a potential.#311chrisiacovella merged 20 commits intochoderalab:mainfrom
chrisiacovella merged 20 commits intochoderalab:mainfrom
Conversation
Codecov ReportAttention: Patch coverage is
Additional details and impacted files |
… cannot automatically authenticate.
… load_inference_model_from_checkpoint now accepts an optional argument "only_unique_pairs" to set this when reading a checkpoint file, for any models trained prior to PR choderalab#299 (openmm integration).
… (now that openmm integration is merged).
Member
Author
|
I'm just going to merge this because it doesn't make any really substantial changes. |
This file contains hidden or 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
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Outdated suggestions cannot be applied.This suggestion has been applied or marked resolved.Suggestions cannot be applied from pending reviews.Suggestions cannot be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.
Pull Request Summary
It would be convenient to be able to setup a potential directly from a checkpoint file on weights and biases. This PR implements such functionality.
Key changes
Notable points that this PR has either accomplished or will accomplish.
Questions
Associated Issue(s)
Pull Request Checklist