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docs: update ROADMAP, add AUROC reproducibility, update RISK_REVIEW - #56

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cschanhniem merged 2 commits into
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docs/roadmap-and-risk-review-update
Jun 28, 2026
Merged

cschanhniem merged 2 commits into
mainfrom
docs/roadmap-and-risk-review-update

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Summary

Test plan

  • All 1172 tests pass (make ci)
  • ruff check passes
  • Docs-only change: AUROC 0.8164 unchanged; no code changed

🤖 Generated with Claude Code

ROADMAP.md:
- Mark v0.1-v0.5 as complete (✓) with specifics of what was delivered in each milestone
- Add v0.5.x section documenting the pre-wet-lab scoring enhancements (PRs #31-#54):
  serum stability, selectivity proxy, pilot priority, aggregation, proline penalty,
  helix bonus, amidation/acetylation recommendations, DISCOVERY_PREDICTION model

METHODS.md Section 8:
- Add 'To reproduce: make validate-scoring' note so reviewers can reproduce AUROC 0.8164
  from the repository without external tooling (addresses code review feedback that
  the headline performance number was not reproducible from visible code)

RISK_REVIEW.md Section 2:
- Add selectivity proxy / HIGH_CYTOTOX_RISK as a dedicated filtered risk row; both the
  safety scorer (μH penalty, pH-7.4 charge) and pilot panel (cytotox_penalty) now
  double-mitigate cytotoxicity risk
- Update hydrophobicity row to mention μH > 0.55 signal added in PR #53
- Update charge density row to note charge_density_ph74 for accuracy
- Add proline content as a reported risk row
- Update action-required note to flag HIGH_CYTOTOX_RISK candidates for hemolysis assay
… PR #56)

validate-scoring is a top-level command, not a bench subcommand.
'cli bench validate-scoring' would raise argparse error.
Corrected to 'cli validate-scoring' to match the actual Makefile target.
@cschanhniem
cschanhniem merged commit 961dd3c into main Jun 28, 2026
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