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  • This PR is tagged as a draft if it is still under development and not ready for review.

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ℹ️ PR Description

What changes were made and why?

How were the changes tested?

Additional Notes

kierandidi and others added 8 commits September 17, 2025 18:18
…codebase consistent with dev (#17)

* fix: prevent chain_ids in outer scope from being overridden by loop (#13)

* feat: performance improvements for parsing

* chore: ruff formatting

* chore: ruff formatting

* fix: address python version and docstring changes

---------

Co-authored-by: Richard Shuai <richardshuai98@gmail.com>
Co-authored-by: Nathaniel Corley <nscorley@gmail.com>
* fix: prevent chain_ids in outer scope from being overridden by loop (#13)

* refactor: datasets initial commit with backwards compatibility

* docs: first pass at dataset docs

* chore: update test metadata parquet files

* fix: passing tests

* docs: updated docs for datasets

* fix: tests

* fix: dataset exploration formatting

* fix: caching test

* chore: PR comments

* fix: CI

* fix: CI

* fix: CI

* fix: CI

---------

Co-authored-by: Richard Shuai <richardshuai98@gmail.com>
* refactor: datasets initial commit with backwards compatibility

* docs: first pass at dataset docs

* fix: passing tests

* docs: updated docs for datasets

* fix: tests

* fix: dataset exploration formatting

* fix: caching test

* docs: fix docstrings, update API

* refactor: datasets revised (#25)

* fix: prevent chain_ids in outer scope from being overridden by loop (#13)

* refactor: datasets initial commit with backwards compatibility

* docs: first pass at dataset docs

* chore: update test metadata parquet files

* fix: passing tests

* docs: updated docs for datasets

* fix: tests

* fix: dataset exploration formatting

* fix: caching test

* chore: PR comments

* fix: CI

* fix: CI

* fix: CI

* fix: CI

---------

Co-authored-by: Richard Shuai <richardshuai98@gmail.com>

* refactor: datasets initial commit with backwards compatibility

* docs: first pass at dataset docs

* fix: passing tests

* docs: updated docs for datasets

* fix: tests

* fix: caching test

* docs: fix docstrings, update API

* refactor: datasets revised (#25)

* fix: prevent chain_ids in outer scope from being overridden by loop (#13)

* refactor: datasets initial commit with backwards compatibility

* docs: first pass at dataset docs

* chore: update test metadata parquet files

* fix: passing tests

* docs: updated docs for datasets

* fix: tests

* fix: dataset exploration formatting

* fix: caching test

* chore: PR comments

* fix: CI

* fix: CI

* fix: CI

* fix: CI

---------

Co-authored-by: Richard Shuai <richardshuai98@gmail.com>

* fix: tests

* docs: update readme

---------

Co-authored-by: Richard Shuai <richardshuai98@gmail.com>
* fix: inference APIs for RF3

* fix: tests

* fix: local tests
* Change publish directory to build/html in workflow

Changed from gh-pages, which is the branch name. As of making this change the GitHub pages site at the rosettacommons domain was throwing a 404 error, it could not locate an index.html file. This is an attempt to fix that error.

* Change publish directory for GitHub Pages

Missed the underscore in front of build - apologies!

* fix: doc deployment

* fix: revert change to release and docs to deploy only when merging to production

---------

Co-authored-by: ncorley <ncorley@uw.edu>
Co-authored-by: Nathaniel Corley <nscorley@gmail.com>
@nscorley nscorley closed this Sep 18, 2025
@nscorley nscorley deleted the doc_release branch September 18, 2025 01:53
nscorley pushed a commit that referenced this pull request Nov 29, 2025
…ld (#34)

Bugfix to tolerate CIF files with missing/inapplicable symbols in entity_id field
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5 participants