Skip to content

Rename package for clarity#108

Merged
tintinrevient merged 19 commits intomainfrom
rename-package-for-clarity
Oct 6, 2025
Merged

Rename package for clarity#108
tintinrevient merged 19 commits intomainfrom
rename-package-for-clarity

Conversation

@JCZuurmond
Copy link
Copy Markdown
Contributor

Changes

Progresses #152

Rename pg2-benchmark to proteingym.benchmark in various places:

  • pyproject.toml
  • Guides: README.md and CONTRIBUTING
  • Source code
  • Tests

Rename pg2-model to proteingym.benchmark.models in various places:

  • pyproject.toml
  • Guides: README.md and CONTRIBUTING
  • Dockerfile
  • Source code
  • Tests

Checklist

  • I broke the PR down so that it contains a reasonable amount of changes for an effective review
  • I performed a self-review of my code. Amongst other things, I have commented my code in hard-to-understand areas.
  • I made corresponding changes to the documentation
  • I added tests that prove my fix is effective or that my feature works
  • I accounted for dependent changes to be merged and published in downstream modules

@JCZuurmond
Copy link
Copy Markdown
Contributor Author

Draft PR needs ProteinGym/proteingym-base#310 to complete

Copy link
Copy Markdown
Contributor Author

@JCZuurmond JCZuurmond left a comment

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

The changes require the rename of pg2-dataset plus a new release

@@ -2,11 +2,11 @@
from typing import Annotated
Copy link
Copy Markdown
Contributor Author

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

Note that models are now under proteingym.models

Comment thread models/esm/Dockerfile
git config --global credential.helper store && \
cat /run/secrets/git_auth > ~/.git-credentials && \
chmod 600 ~/.git-credentials
# TODO: After proteingym-base and proteingym-benchmark are public repositories, below COPY can be removed
Copy link
Copy Markdown
Contributor Author

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

@tintinrevient : See this first step to simplifying the Dockerfile. For now, we will download the latest versions of proteingym-base and proteingym-benchmark into dist/ before running the docker build. Later we will use public packages from PyPi (or Github)

train_X, train_Y = load_x_and_y(
dataset=dataset,
split=TrainTestValid.train,
split=1, # TODO: Update split
Copy link
Copy Markdown
Contributor Author

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

Postponing this until the split work is done

Comment thread models/README.md
@@ -1,49 +1,51 @@
# Model
Copy link
Copy Markdown
Contributor Author

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

@tintinrevient : Please review this doc

Copy link
Copy Markdown
Contributor

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

Reviewed, it looks good! Only the link []() is relative to models.

Comment thread models/README.md
Comment on lines +9 to +10
- [models/esm/src/proteingym/models/esm/__main__.py]
- [models/pls/src/proteingym/models/pls/__main__.py]
Copy link
Copy Markdown
Contributor

@tintinrevient tintinrevient Sep 26, 2025

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

Suggested change
- [models/esm/src/proteingym/models/esm/__main__.py]
- [models/pls/src/proteingym/models/pls/__main__.py]
- [esm/src/proteingym/models/esm/__main__.py](esm/src/proteingym/models/esm/__main__.py)
- [esm/src/proteingym/models/esm/__main__.py](esm/src/proteingym/models/esm/__main__.py)

@JCZuurmond JCZuurmond force-pushed the rename-package-for-clarity branch from 515bffa to d175db7 Compare October 2, 2025 14:18
@JCZuurmond JCZuurmond marked this pull request as ready for review October 2, 2025 14:21
@tintinrevient
Copy link
Copy Markdown
Contributor

The only one thing is the CML pipeline is failing because in dvc.yaml, under this line:

docker build --build-arg GIT_CACHE_BUST=${git.git_cache_bust} --secret id=git_auth,src=../git-auth.txt ...

It still looks for proteingym-base and proteingym-benchmark to be installed from/dist.

But I feel, we can overlook CML pipeline for a while, before everything is cleaned up, then we make it work again on a clean slate.

Copy link
Copy Markdown
Contributor

@tintinrevient tintinrevient left a comment

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

Overall, it looks good to me and approve this. CML pipeline can be fixed later, since this is already a big change.

@tintinrevient
Copy link
Copy Markdown
Contributor

I will merge this one, and after clean up make the CML work again.

@tintinrevient tintinrevient merged commit a3c24f7 into main Oct 6, 2025
2 of 3 checks passed
@tintinrevient tintinrevient deleted the rename-package-for-clarity branch October 6, 2025 09:04
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment

Labels

Projects

None yet

Development

Successfully merging this pull request may close these issues.

2 participants