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Releases: diff-use/sampleworks

v0.13.1

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@diffuse-semantic-release diffuse-semantic-release released this 17 Jul 16:36

v0.13.1 (2026-07-17)

Bug Fixes


Detailed Changes: v0.13.0...v0.13.1

v0.13.0

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@diffuse-semantic-release diffuse-semantic-release released this 17 Jul 16:34

v0.13.0 (2026-07-17)

Features

  • eval: Discover trials from job metadata (#321, 3365512)

Detailed Changes: v0.12.4...v0.13.0

v0.12.4

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@diffuse-semantic-release diffuse-semantic-release released this 17 Jul 15:34

v0.12.4 (2026-07-17)

Bug Fixes

  • eval: Serialize synthetic CUDA batch jobs (#315, cdd2f74)

Detailed Changes: v0.12.3...v0.12.4

v0.12.3

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@diffuse-semantic-release diffuse-semantic-release released this 17 Jul 15:33

v0.12.3 (2026-07-17)

Documentation

  • deps: Explain NumPy 1.x cap (#316, b95bc75)

  • models: Standardize model_atom_array docstring across wrappers (#296, 38f244a)

Performance Improvements

Refactoring

  • fk_steering: Extract per-particle guided step into a helper (#299, 564dd4a)

Detailed Changes: v0.12.2...v0.12.3

v0.12.2

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@diffuse-semantic-release diffuse-semantic-release released this 08 Jul 16:14

v0.12.2 (2026-07-08)

Bug Fixes

  • protenix: Resolve MSA typecheck errors (#266, 88b3e69)

Detailed Changes: v0.12.1...v0.12.2

v0.12.1

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@diffuse-semantic-release diffuse-semantic-release released this 08 Jul 16:13

v0.12.1 (2026-07-08)

Bug Fixes

Continuous Integration

  • codecov: Collect and upload coverage from cpu-tests (#298, b7ac722)

Refactoring

  • msa: Remove unused Protenix a3m writes in _compute_msa (#295, e44b63c)

Testing

  • protenix: Skip checkpoint fixture when weights absent instead of downloading (#294, 15b0063)

Detailed Changes: v0.12.0...v0.12.1

v0.12.0

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@diffuse-semantic-release diffuse-semantic-release released this 29 Jun 18:44

v0.12.0 (2026-06-29)

Chores

  • packaging: Consolidate uv project metadata (#271, 3f178aa)

Features


Detailed Changes: v0.11.1...v0.12.0

v0.11.1

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@diffuse-semantic-release diffuse-semantic-release released this 23 Jun 21:08

v0.11.1 (2026-06-23)

Bug Fixes

  • eval: Align synthetic density occupancy handling (#268, dd9bef8)

Detailed Changes: v0.11.0...v0.11.1

v0.11.0

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@diffuse-semantic-release diffuse-semantic-release released this 23 Jun 20:12

v0.11.0 (2026-06-23)

Features

  • guidance: Add --alignment-reverse-diffusion arg (#264, 0cb0ba2)

Detailed Changes: v0.10.0...v0.11.0

v0.10.0

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@diffuse-semantic-release diffuse-semantic-release released this 19 Jun 23:34

v0.10.0 (2026-06-19)

Features


Detailed Changes: v0.9.1...v0.10.0