Skip to content

graphchem 2.3.4

Latest

Choose a tag to compare

@tjkessler tjkessler released this 23 Jul 03:13
· 1 commit to master since this release

Summary

API-stable modernization release. Public callables and behavioral contracts are unchanged.

Highlights

  • src/graphchem/ layout; rdkit replaces rdkit-pypi; dependency ranges; Python 3.10+
  • Contract suite, encoding oracles, coverage ≥90%, CI matrix + lint/docs jobs
  • Sphinx + Furo docs; governance files; OIDC PyPI publish workflow

Deferred to 2.4.0

  • JSON encoder serialization, CLI, pretrained weights, benchmark harness

See CHANGELOG.md for full notes.

Note: PyPI upload requires a GitHub Environment named pypi and a matching PyPI trusted publisher for graphchem.