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v1.0.1 — submission snapshot (final)

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@Functionhx Functionhx released this 03 Aug 10:42
· 19 commits to main since this release

Final submission snapshot for the leakage-controlled MTL diagnostic (J Cheminformatics).

  • Manuscript: docs/manuscript.pdf (28 pages) + Supporting Information
  • Frozen protocol: docs/PROTOCOL.md + protocol/final_confirmatory_plan.md
  • All prediction tables and split manifests committed under results/ and splits/
  • Environment pinned in requirements.txt (Python 3.10, PyTorch 2.13.0+cu130, RDKit 2023.09.6)