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Changelog

All notable changes to this project will be documented in this file.

The format is based on Keep a Changelog, and this project adheres to Semantic Versioning.

[0.1.2] - 2026-06-30

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.

[0.1.1] - 2026-06-07

Security

  • Removed compromised polyfill.io CDN script from MkDocs configuration to resolve supply-chain vulnerability.