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Releases: prism-science/sampleworks

v0.18.1

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@diffuse-semantic-release diffuse-semantic-release released this 27 Jul 15:23

v0.18.1 (2026-07-27)

Bug Fixes

  • actl: Honor RUNTIME_PIXI project dir over baked image env (#343, ecbb177)

Detailed Changes: v0.18.0...v0.18.1

v0.18.0

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@diffuse-semantic-release diffuse-semantic-release released this 24 Jul 00:53

v0.18.0 (2026-07-24)

Features

  • eval: Generate synthetic sf mtz with Fprotein and Ftotal and correct cif saving (#322, 1fcd41c)

Testing

  • rewards: Extract reward-agnostic contract tests and scope fixtures (#323, 19cf7ec)

Detailed Changes: v0.17.0...v0.18.0

v0.17.0

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@diffuse-semantic-release diffuse-semantic-release released this 23 Jul 17:16

v0.17.0 (2026-07-23)

Features

  • Support extended (12-char) PDB IDs in output CIF patching (#292, fab676f)

Detailed Changes: v0.16.0...v0.17.0

v0.16.0

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@diffuse-semantic-release diffuse-semantic-release released this 23 Jul 16:02

v0.16.0 (2026-07-23)

Features

  • add protpardelle: Add the Protpardelle-1c cc89 protein generative model. (#300, b91fb84)

Refactoring

  • synthetic: Move generation out of eval (#329, 58c2311)

Detailed Changes: v0.15.1...v0.16.0

v0.15.1

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@diffuse-semantic-release diffuse-semantic-release released this 22 Jul 20:33

v0.15.1 (2026-07-22)

Bug Fixes

  • rewards: Reuse density input preprocessing (#328, 443477a)

Refactoring

  • config: Distinguish model names from objects (#326, 222dc94)

Detailed Changes: v0.15.0...v0.15.1

v0.15.0

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@diffuse-semantic-release diffuse-semantic-release released this 22 Jul 03:28

v0.15.0 (2026-07-22)

Continuous Integration

  • Pin pixi-version in setup-pixi for deterministic lock validation (#334, 8bf5b06)

Features

  • eval: Canonicalize mixed-altloc modified residues (#263, ae6d156)

Detailed Changes: v0.14.0...v0.15.0

v0.14.0

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@diffuse-semantic-release diffuse-semantic-release released this 21 Jul 21:08

v0.14.0 (2026-07-21)

Chores

Features

  • protpardelle: Add pixi env and bake into image/CI (#331, 7b6ab4e)

Refactoring


Detailed Changes: v0.13.1...v0.14.0

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