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7 changes: 6 additions & 1 deletion Makefile
Original file line number Diff line number Diff line change
@@ -1,4 +1,4 @@
.PHONY: help demo test lint ci clean bench-leakage bench-multi-negatives bench-baseline bench-hidden-active bench-cluster-split bench-expert-ablation bench-expert-ablation-500 bench-selectivity bench-feature-decomp bench-gate bench-easy-baseline bench-charge-matched bench-order-dependent bench-precision-at-k bench-per-family bench-simulation-ablation bench-simulation-ablation-within-amp simulation-gate bench-strategy-compare regenerate-all generate phase3 pilot validate-scoring validate-scoring-phase3 validate-scoring-strict external-pilot pilot-confident presynth-qc gold-standard diversity synthesis-order novelty-broad external-consensus questionnaire gate-check ip-report benchmark-card wave0-5-gate-check wave0-5-novelty-audit wave0-5-novelty-audit-v2 wave0-5-panel wave0-5-evidence wave0-5-fill-external wave0-5b-generate wave0-5b-filter recalibration-engine recalibration-engine-dry-run validate-policy-version generate-synthetic-lab-results bump-policy-version generate-review-packet failed-candidate-report safe-publication-filter classify-negative-informativeness validate-rejection-events negative-result-dashboard calibration-audit calibration-audit-example calibration-overfit-check result-quality-filter synthetic-result-policy-check calibration-decision-checklist calibration-rollback-plan simulation-registry validate-simulation-result-schema simulation-baseline-check adapter-gate-check simulation-provenance simulation-ensemble-check simulation-ci-report simulation-deprecation-check simulation-scope-check simulation-evidence-packet artifact-version candidate-manifest artifact-changelog integration-check adapter-author-check license-check artifact-compat-check contribution-check adoption-scorecard release-gate-check decision-log release-request-check coi-check rotation-plan-check security-report-check citation-check roadmap-sync-check advisory-review-check annual-review-check selection-rationale-check batch-priority-check pilot-package-check calibration-intake-check uncertainty-report-check preprint-bundle-check reproducibility-manifest-check candidate-summary-card-check
.PHONY: help demo test lint ci clean bench-leakage bench-multi-negatives bench-baseline bench-hidden-active bench-cluster-split bench-expert-ablation bench-expert-ablation-500 bench-selectivity bench-feature-decomp bench-gate bench-easy-baseline bench-charge-matched bench-order-dependent bench-precision-at-k bench-per-family bench-simulation-ablation bench-simulation-ablation-within-amp simulation-gate bench-strategy-compare regenerate-all generate phase3 pilot validate-scoring validate-scoring-phase3 validate-scoring-strict external-pilot pilot-confident presynth-qc gold-standard diversity synthesis-order novelty-broad external-consensus questionnaire gate-check ip-report benchmark-card wave0-5-gate-check wave0-5-novelty-audit wave0-5-novelty-audit-v2 wave0-5-panel wave0-5-evidence wave0-5-fill-external wave0-5b-generate wave0-5b-filter recalibration-engine recalibration-engine-dry-run validate-policy-version generate-synthetic-lab-results bump-policy-version generate-review-packet failed-candidate-report safe-publication-filter classify-negative-informativeness validate-rejection-events negative-result-dashboard calibration-audit calibration-audit-example calibration-overfit-check result-quality-filter synthetic-result-policy-check calibration-decision-checklist calibration-rollback-plan simulation-registry validate-simulation-result-schema simulation-baseline-check adapter-gate-check simulation-provenance simulation-ensemble-check simulation-ci-report simulation-deprecation-check simulation-scope-check simulation-evidence-packet artifact-version candidate-manifest artifact-changelog integration-check adapter-author-check license-check artifact-compat-check contribution-check adoption-scorecard release-gate-check decision-log release-request-check coi-check rotation-plan-check security-report-check citation-check roadmap-sync-check advisory-review-check annual-review-check selection-rationale-check batch-priority-check pilot-package-check calibration-intake-check uncertainty-report-check preprint-bundle-check reproducibility-manifest-check candidate-summary-card-check multi-candidate-comparison-check

PYTHON := $(shell [ -f .venv/bin/python ] && echo .venv/bin/python || echo python3)
PYTEST := $(shell [ -f .venv/bin/pytest ] && echo .venv/bin/pytest || echo pytest)
Expand Down Expand Up @@ -925,3 +925,8 @@ candidate-summary-card-check:
.venv/bin/openamp-foundry candidate-summary-card-check \
--entry-json '{"card_id":"CRD-001","candidate_id":"AMP-001","batch_id":"BATCH-001","pipeline_version":"0.8.6","sequence":"KWKLFKKIEK","sequence_length":10,"evidence_level":4,"predicted_activity":"high_activity","safety_flags":[],"selection_rationale_id":"SEL-001","reviewer":"alice","dry_lab_only":true}' \
--format text

multi-candidate-comparison-check:
.venv/bin/openamp-foundry multi-candidate-comparison-check \
--entry-json '{"comparison_id":"CMP-001","batch_id":"BATCH-001","pipeline_version":"0.8.7","comparison_date":"2026-07-09","candidate_ids":["AMP-001","AMP-002","AMP-003"],"comparison_criteria":["predicted_mic","hemolysis_fraction","selectivity_index"],"top_candidate_id":"AMP-001","top_candidate_rationale":"Highest selectivity index with lowest hemolysis fraction.","evidence_level":4,"reviewer":"alice","dry_lab_only":true}' \
--format text
3 changes: 2 additions & 1 deletion docs/evidence/METRICS_CURRENT.md
Original file line number Diff line number Diff line change
Expand Up @@ -5,7 +5,8 @@ Machine-readable snapshot: `outputs/metrics_snapshot.json` regenerated with `mak
> **Purpose:** One authoritative table of current pipeline metrics. If any doc disagrees
> with this file, this file wins. Updated whenever benchmark/benchmark config changes.
>
> **Last updated:** 2026-07-09 (Phase L L3 — candidate summary card schema — v0.8.6)
> **Last updated:** 2026-07-09 (Phase L L4 — multi-candidate comparison schema — v0.8.7)
> **New in v0.8.7:** Multi-candidate comparison schema (L4 — Loop 126b) — docs/evidence/MULTI_CANDIDATE_COMPARISON_GUIDE.md with purpose, required field table (11 fields), minimum requirements (2 candidates, 2 criteria), warnings, validation workflow, honest-use boundary. src/openamp_foundry/evidence/multi_candidate_comparison.py with MultiCandidateComparisonEntry dataclass (11 fields: comparison_id, batch_id, pipeline_version, comparison_date, candidate_ids, comparison_criteria, top_candidate_id, top_candidate_rationale, evidence_level, reviewer, dry_lab_only), MultiCandidateComparisonResult dataclass (5 fields: comparison_id, batch_id, candidate_count, passed, errors, warnings, dry_lab_only=True), MINIMUM_CANDIDATES (2), MINIMUM_CRITERIA (2), RECOMMENDED_CRITERIA (3), MAX_RATIONALE_LENGTH (500), LARGE_CANDIDATE_SET_THRESHOLD (10), VALID_EVIDENCE_LEVELS (6: 1-6), validate_multi_candidate_comparison() (11 checks: CMP- prefix, non-empty batch_id/pipeline_version/reviewer, YYYY-MM-DD comparison_date, candidate_ids>=2, comparison_criteria>=2, top_candidate_id in candidate_ids, non-empty rationale<=500 chars, valid evidence_level, dry_lab_only must be True; evidence_level<=2 warns, candidate_count>10 warns, criteria_count<3 warns), validate_multi_candidate_comparison_dict() (10 required fields guard). CLI (openamp-foundry multi-candidate-comparison-check) with --entry-json, --format text|json. make multi-candidate-comparison-check target. Phase L L4: side-by-side candidate comparisons are now machine-validated for publication-ready supplementary tables.
> **New in v0.8.6:** Candidate summary card schema (L3 — Loop 126) — docs/evidence/CANDIDATE_SUMMARY_CARD_GUIDE.md with purpose, required field table (12 fields), valid activity labels (5), valid amino acid set (20 standard), warnings, validation workflow, honest-use boundary. src/openamp_foundry/evidence/candidate_summary_card.py with CandidateSummaryCardEntry dataclass (12 fields: card_id, candidate_id, batch_id, pipeline_version, sequence, sequence_length, evidence_level, predicted_activity, safety_flags, selection_rationale_id, reviewer, dry_lab_only), CandidateSummaryCardResult dataclass (5 fields: card_id, candidate_id, sequence_length, passed, errors, warnings, dry_lab_only=True), VALID_ACTIVITY_LABELS (5: high_activity, inactive, low_activity, moderate_activity, uncertain), VALID_AMINO_ACIDS (20 standard one-letter codes), LONG_PEPTIDE_THRESHOLD (50), VALID_EVIDENCE_LEVELS (6: 1-6), validate_candidate_summary_card() (11 checks: CRD- prefix, non-empty candidate_id/batch_id/pipeline_version/reviewer, non-empty sequence with valid amino acids, sequence_length==len(sequence), valid evidence_level, valid predicted_activity, SEL- prefix on selection_rationale_id, dry_lab_only must be True; evidence_level<=2 warns, safety_flags non-empty warns, uncertain activity warns, length>50 warns), validate_candidate_summary_card_dict() (11 required fields guard). CLI (openamp-foundry candidate-summary-card-check) with --entry-json, --format text|json. make candidate-summary-card-check target. Phase L L3: every candidate now has a machine-validated publication-ready summary card.
> **New in v0.8.5:** Reproducibility manifest schema (L2 — Loop 125) — docs/evidence/REPRODUCIBILITY_MANIFEST_GUIDE.md with purpose, required field table (11 fields), package checksums format, data checksums format, warnings, validation workflow, honest-use boundary. src/openamp_foundry/evidence/reproducibility_manifest.py with ReproducibilityManifestEntry dataclass (11 fields: manifest_id, batch_id, pipeline_version, run_date, python_version, package_checksums, data_checksums, random_seeds, hardware_summary, reviewer, dry_lab_only), ReproducibilityManifestResult dataclass (6 fields: manifest_id, batch_id, package_count, data_file_count, passed, errors, warnings, dry_lab_only=True), MINIMUM_PACKAGES (3), MINIMUM_DATA_FILES (1), RECOMMENDED_PACKAGES (5), validate_reproducibility_manifest() (10 checks: RPM- prefix, non-empty batch_id/pipeline_version/python_version/hardware_summary/reviewer, YYYY-MM-DD run_date, package_checksums>=3, data_checksums>=1, dry_lab_only must be True; empty random_seeds warns, package_count<5 warns, hardware_summary contains 'unknown' warns), validate_reproducibility_manifest_dict() (10 required fields guard). CLI (openamp-foundry reproducibility-manifest-check) with --entry-json, --format text|json. make reproducibility-manifest-check target. Phase L L2: every pipeline run now has a machine-validated reproducibility record.
> **New in v0.8.4:** Preprint evidence bundle schema (L1 — Loop 124) — docs/evidence/PREPRINT_BUNDLE_GUIDE.md with purpose, required field table (11 fields), minimum artifact count (3), evidence level guide, warnings, validation workflow, honest-use boundary. src/openamp_foundry/evidence/preprint_bundle.py with PreprintBundleEntry dataclass (11 fields: bundle_id, batch_id, pipeline_version, submission_date, title, artifact_ids, evidence_level, preprint_doi, contact_email, release_approved, dry_lab_only), PreprintBundleResult dataclass (5 fields: bundle_id, batch_id, artifact_count, passed, errors, warnings, dry_lab_only=True), MINIMUM_ARTIFACTS (3), RECOMMENDED_ARTIFACT_COUNT (5), MAX_TITLE_LENGTH (300), VALID_EVIDENCE_LEVELS (6: 1-6), validate_preprint_bundle() (10 checks: BND- prefix, non-empty batch_id/pipeline_version/contact_email, YYYY-MM-DD submission_date, non-empty title<=300 chars, artifact_ids>=3, valid evidence_level 1-6, release_approved must be True, dry_lab_only must be True; evidence_level<=2 warns, empty preprint_doi warns, artifact_count<5 warns), validate_preprint_bundle_dict() (10 required fields guard). CLI (openamp-foundry preprint-bundle-check) with --entry-json, --format text|json. make preprint-bundle-check target. Phase L L1: scientific preprints now have a machine-validated evidence bundle structure.
Expand Down
59 changes: 59 additions & 0 deletions docs/evidence/MULTI_CANDIDATE_COMPARISON_GUIDE.md
Original file line number Diff line number Diff line change
@@ -0,0 +1,59 @@
# Multi-Candidate Comparison Guide

A *multi-candidate comparison* is a structured record that compares the key predicted
properties of two or more candidates from the same batch side-by-side. This enables
publication-ready supplementary tables and supports consistent external review.

## Purpose

When nominating multiple candidates from a single batch, reviewers need to:
- see how candidates differ across predicted properties,
- confirm that comparison criteria are consistent across all candidates,
- verify that the top-ranked candidate has a defensible advantage over runners-up.

## Required fields

| Field | Type | Constraint |
|---|---|---|
| `comparison_id` | str | Must start with `"CMP-"` |
| `batch_id` | str | Non-empty |
| `pipeline_version` | str | Non-empty |
| `comparison_date` | str | ISO 8601 `YYYY-MM-DD` |
| `candidate_ids` | list[str] | ≥ `MINIMUM_CANDIDATES` (2) entries |
| `comparison_criteria` | list[str] | ≥ `MINIMUM_CRITERIA` (2) entries |
| `top_candidate_id` | str | Must be in `candidate_ids` |
| `top_candidate_rationale` | str | Non-empty, ≤ 500 characters |
| `evidence_level` | int | 1 – 6 |
| `reviewer` | str | Non-empty |
| `dry_lab_only` | bool | Must be `True` |

## Minimum requirements

- At least 2 candidates must be compared (`MINIMUM_CANDIDATES = 2`).
- At least 2 comparison criteria must be stated (`MINIMUM_CRITERIA = 2`).
- The top candidate must appear in the `candidate_ids` list.

## Valid evidence levels

1 – 6 (from PROOF_LADDER.md)

## Warnings

- `evidence_level <= 2` — warning: low evidence; comparison may not be reliable.
- `len(candidate_ids) > 10` — warning: large candidate set; consider splitting into sub-groups.
- `len(comparison_criteria) < 3` — warning: fewer than 3 criteria; comparison may lack depth.

## How to validate

```bash
make multi-candidate-comparison-check
# or
openamp-foundry multi-candidate-comparison-check \
--entry-json '{"comparison_id":"CMP-001","batch_id":"BATCH-001","pipeline_version":"0.8.7","comparison_date":"2026-07-09","candidate_ids":["AMP-001","AMP-002","AMP-003"],"comparison_criteria":["predicted_mic","hemolysis_fraction","selectivity_index"],"top_candidate_id":"AMP-001","top_candidate_rationale":"Highest selectivity index with lowest hemolysis fraction.","evidence_level":4,"reviewer":"alice","dry_lab_only":true}' \
--format text
```

## Honest-use boundary

Multi-candidate comparisons are dry-lab outputs. Predicted property rankings do not
imply experimental superiority. Wet-lab results may differ substantially from predictions.
3 changes: 3 additions & 0 deletions docs/research/ROADMAP.md
Original file line number Diff line number Diff line change
@@ -1,5 +1,8 @@
# Roadmap

### v0.8.7
- Phase L L4: multi-candidate comparison schema — validates structured side-by-side comparisons of two or more candidates for publication-ready supplementary tables. MultiCandidateComparisonEntry dataclass, validate_multi_candidate_comparison(), CLI multi-candidate-comparison-check.

### v0.8.6
- Phase L L3: candidate summary card schema — validates publication-ready per-candidate structured summaries with sequence, evidence level, activity prediction, and safety flags. CandidateSummaryCardEntry dataclass, validate_candidate_summary_card(), CLI candidate-summary-card-check.

Expand Down
34 changes: 34 additions & 0 deletions src/openamp_foundry/cli/commands/reports.py
Original file line number Diff line number Diff line change
Expand Up @@ -3090,3 +3090,37 @@ def _run_candidate_summary_card_check(args: argparse.Namespace) -> int:
print(" Candidate summary card validated. Ready for reviewer packet.")

return 0 if result.passed else 3


def _run_multi_candidate_comparison_check(args: argparse.Namespace) -> int:
"""Validate a multi-candidate comparison entry."""
import json as _json
from openamp_foundry.evidence.multi_candidate_comparison import validate_multi_candidate_comparison_dict

try:
d = _json.loads(args.entry_json)
except _json.JSONDecodeError as exc:
print(_json.dumps({"status": "error", "error": f"Invalid JSON: {exc}"}))
return 2

if not isinstance(d, dict):
print(_json.dumps({"status": "error", "error": "--entry-json must be a JSON object"}))
return 2

result = validate_multi_candidate_comparison_dict(d)
output_format = getattr(args, "format", "text")

if output_format == "json":
import dataclasses
print(_json.dumps(dataclasses.asdict(result), indent=2))
else:
status = "PASS" if result.passed else "FAIL"
print(f"Multi-candidate comparison {result.comparison_id} (batch {result.batch_id}, {result.candidate_count} candidates): {status}")
for e in result.errors:
print(f" ERROR: {e}")
for w in result.warnings:
print(f" WARN: {w}")
if result.passed:
print(" Multi-candidate comparison validated. Ready for supplementary table.")

return 0 if result.passed else 3
23 changes: 22 additions & 1 deletion src/openamp_foundry/cli/main.py
Original file line number Diff line number Diff line change
Expand Up @@ -15,7 +15,7 @@
from openamp_foundry.cli.commands.reports import _run_security_report_check
from openamp_foundry.cli.commands.reports import _run_citation_check
from openamp_foundry.cli.commands.reports import _run_roadmap_sync_check
from openamp_foundry.cli.commands.reports import _run_advisory_review_check, _run_annual_review_check, _run_selection_rationale_check, _run_batch_priority_check, _run_pilot_package_check, _run_calibration_intake_check, _run_uncertainty_report_check, _run_preprint_bundle_check, _run_reproducibility_manifest_check, _run_candidate_summary_card_check
from openamp_foundry.cli.commands.reports import _run_advisory_review_check, _run_annual_review_check, _run_selection_rationale_check, _run_batch_priority_check, _run_pilot_package_check, _run_calibration_intake_check, _run_uncertainty_report_check, _run_preprint_bundle_check, _run_reproducibility_manifest_check, _run_candidate_summary_card_check, _run_multi_candidate_comparison_check

import argparse
import json
Expand Down Expand Up @@ -2125,6 +2125,24 @@ def build_parser() -> argparse.ArgumentParser:
help="Output format (default: text).",
)

# ── Multi-candidate comparison check (Phase L L4) ─────────────────
mccc = sub.add_parser(
"multi-candidate-comparison-check",
help=(
"Validate a multi-candidate comparison. Confirms candidate list, "
"criteria, top-candidate rationale, and evidence level. Dry-lab only."
),
)
mccc.add_argument(
"--entry-json", type=str, required=True,
help="JSON string of a MultiCandidateComparisonEntry dict (required).",
)
mccc.add_argument(
"--format", type=str, default="text",
choices=["text", "json"],
help="Output format (default: text).",
)

# ── Selection rationale check (Phase K K1) ───────────────────────
src2 = sub.add_parser(
"selection-rationale-check",
Expand Down Expand Up @@ -2454,6 +2472,9 @@ def main(argv: list[str] | None = None) -> int:
if args.command == "candidate-summary-card-check":
return _run_candidate_summary_card_check(args)

if args.command == "multi-candidate-comparison-check":
return _run_multi_candidate_comparison_check(args)

parser.error("unknown command")
return 2

Expand Down
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