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Harden GLAM reproducibility and qFoldIT run-result contract - #3

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CEPBEP merged 17 commits into
mainfrom
fix/qfoldit-validation-pipeline-2026-11
Nov 2, 2026
Merged

CEPBEP merged 17 commits into
mainfrom
fix/qfoldit-validation-pipeline-2026-11

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@CEPBEP CEPBEP commented Nov 2, 2026

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Summary

This PR hardens the GLAM computational pipeline and promotes the qFoldIT adapter from an execution-status scaffold to a provenance-bound run manifest.

Changes

  • Deterministic random/scaffold splits with local seeded RNGs; split-cache keys bind to source dataset SHA-256.
  • Explicit split propagation through dataset constructors and worker config.
  • Perturbation datasets can defer parent split initialization.
  • Seeded architecture search and stable SHA-256 configuration fingerprints.
  • High-fidelity execution uses argv and shell=False; worker failures propagate.
  • Training config is parsed with ast.literal_eval, not executable eval.
  • Per-job output isolation and required high-fidelity/model-selection artifacts.
  • qfoldit.glam.run-result/1.0 manifest with mission/action provenance, dataset digest, runtime versions and artifact hashes.
  • Request/response/result schemas and CI checks.

Authority boundary

GLAM remains a computational engine. scientific_validation_status=NOT_PERFORMED and evidence_status=NOT_CREATED.

CI checks adapter tests, compilation, JSON schemas, split/worker invariants and artifact-manifest requirements. End-to-end training on a prepared production dataset and locked holdout remains a separate release gate.

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📝 Code Review ⚠️ Failed 2026-11-02T11:30:54.908294Z
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003d473 PR opened
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@CEPBEP
CEPBEP merged commit 38480cc into main Nov 2, 2026
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