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Tmqm dataset #319

Merged
merged 18 commits into from
Nov 20, 2024
Merged

Tmqm dataset #319

merged 18 commits into from
Nov 20, 2024

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chrisiacovella
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@chrisiacovella chrisiacovella commented Nov 12, 2024

Pull Request Summary

This adds in the tmqm dataset.

Key changes

Notable points that this PR has either accomplished or will accomplish.

  • Add in tmqm curation
  • add tmqm curation tests
  • Add in tmqm dataset to datasets.

Associated Issue(s)

  • Issue 1

Pull Request Checklist

  • Issue(s) raised/addressed and linked
  • Includes appropriate unit test(s)
  • Appropriate docstring(s) added/updated
  • Appropriate .rst doc file(s) added/updated
  • PR is ready for review

@chrisiacovella chrisiacovella added the enhancement New feature or request label Nov 12, 2024
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codecov-commenter commented Nov 12, 2024

Codecov Report

Attention: Patch coverage is 87.34177% with 30 lines in your changes missing coverage. Please review.

Project coverage is 78.67%. Comparing base (99b2621) to head (0994573).

❗ There is a different number of reports uploaded between BASE (99b2621) and HEAD (0994573). Click for more details.

HEAD has 4 uploads less than BASE
Flag BASE (99b2621) HEAD (0994573)
unittests 12 8
Additional details and impacted files
---- 🚨 Try these New Features:

@chrisiacovella
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Just going to merge this since it was just adding in tmqm and some minor updates to give more control over tests.

@chrisiacovella chrisiacovella merged commit 3e57f87 into choderalab:main Nov 20, 2024
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2 participants