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Releases: elkins-lab/diff-epr

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v0.1.2

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@elkins elkins released this 01 Jul 01:19
v0.1.2
9776292

Added

  • Added full PEP 561 compliance by introducing a py.typed marker file.
  • Added 100% test coverage including gradient safety tests for rotamers.
  • Added interactive Google Colab DEER spectroscopy tutorial.
  • Added Dependabot configuration for GitHub Actions.

Fixed

  • Fixed gradient instability (NaNs) in deer_trace_rotamers when evaluated at distance exactly equal to zero.
  • Fixed pip installation order in CI to prevent numpy silent upgrades breaking jax module compatibility.
  • Fixed mypy syntax errors running on Python 3.12+ environments by separating linting from the test matrix and pinning numpy<2 in pre-commit.
  • Fixed Node.js deprecation warnings and API rate limits in CI by forcing Node 24 and using GitHub cache for Hugging Face models.
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Release v0.1.1

Release v0.1.1

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@elkins elkins released this 07 Jun 17:34
v0.1.1
e5e5e61

Full Changelog: https://github.com/elkins/diff-epr/commits/v0.1.1

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