skills/devtu-benchmark-harness/SKILL.md
Continuous improvement system for ToolUniverse tools, skills, and plugin. Run benchmarks, diagnose failures, route fixes to devtu skills, retest. Use after skill optimization, tool additions, or as regression check.
npx skillsauth add mims-harvard/tooluniverse devtu-benchmark-harnessInstall this skill globally with one command. Works with Claude Code, Cursor, and Windsurf.
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A 5-step feedback loop for improving ToolUniverse tools, skills, and plugin quality.
Note: This skill is dataset-agnostic. Per-benchmark score history, known-failing question IDs, and dataset-specific investigations belong in temp_docs_and_tests/benchmark_tracking/ (gitignored workfolder), NOT in this skill directory.
1. RUN benchmark → 2. ANALYZE results → 3. DIAGNOSE failures → 4. FIX via devtu skill → 5. RETEST → repeat
One command does steps 0 (memorization audit), 1 (build), 2 (run), 3 (analyze), 4 (diagnose + extract failures):
bash skills/devtu-benchmark-harness/scripts/run_harness_loop.sh --benchmark bixbench --n 20 --seed 42
# After reviewing diagnose.log and applying devtu skill fixes:
bash skills/devtu-benchmark-harness/scripts/run_harness_loop.sh --retest /path/to/failures.json
The script creates temp_docs_and_tests/benchmark_tracking/run_<TS>/ with results.json, analysis.log, diagnose.log, failures.json. Diagnose output lists each failure with the exact devtu skill to invoke — do NOT fix manually.
Before accepting any skill edit (from devtu-optimize-skills or manual), run:
python3 skills/devtu-benchmark-harness/scripts/check_memorization.py --all
Fails if any skill contains benchmark names, capsule UUIDs, bix-N question IDs, or known-to-be-GT specific numeric answers. This prevents overfitting the plugin to a single benchmark's answer key. Run in --strict mode to also flag specific gene names and dataset filenames (softer signal).
bash scripts/build-plugin.sh # rebuild plugin with latest skills
python skills/devtu-benchmark-harness/scripts/run_eval.py \
--benchmark bixbench \ # bixbench | lab-bench | custom
--mode plugin-only \ # plugin-only | baseline-only | comparison
--n 205 \ # number of questions
--timeout 1800 \ # seconds per question
--max-turns 30 # agent turns per question
Options: --category DESeq2 (filter), --resume results.json (skip done), --guidance path.md (inject custom).
Skill auto-matching in interactive mode is variable — sometimes Claude reads the skill description but starts writing code before loading the skill body. To force the router's critical conventions into every request's system prompt (more reliable, measures the plugin's conventions as-designed rather than skill-routing-as-implemented):
APPEND_CONVENTIONS=1 python skills/evals/run_benchmark.py --benchmark bixbench --plugin-only
Use this mode when measuring the CORRECTNESS of the conventions (are they the right rules?). Use default mode when measuring the RELIABILITY of skill routing (does Claude actually invoke the skill?). The gap between these two numbers is the routing-reliability problem.
Rscript skills/evals/install_r_packages.R # R packages
python3 skills/evals/bixbench/download_capsules.py # BixBench data (~5 GB)
| Benchmark | Questions | Tests | Data |
|-----------|----------|-------|------|
| lab-bench | 20 MCQ | Database lookup accuracy | skills/evals/lab-bench/questions.json |
| bixbench | 205 computational | Data analysis + statistics | skills/evals/bixbench/questions.json + capsule data |
| custom | User-defined | Any | Custom JSON file |
python skills/devtu-benchmark-harness/scripts/analyze_results.py \
--results results.json \
--questions skills/evals/bixbench/questions.json \
--benchmark bixbench
Output:
| Category | Skill | |----------|-------| | DESeq2, fold_change | tooluniverse-rnaseq-deseq2 | | ANOVA, regression, chi_square, spline_fitting | tooluniverse-statistical-modeling | | pathway_enrichment, DESeq2+enrichGO | tooluniverse-gene-enrichment | | phylogenetics | tooluniverse-phylogenetics | | variant_analysis, epigenomics | tooluniverse-variant-analysis | | crispr_screen, functional_genomics | tooluniverse-crispr-screen-analysis | | single_cell | tooluniverse-single-cell |
python skills/devtu-benchmark-harness/scripts/analyze_results.py \
--results results.json \
--questions skills/evals/bixbench/questions.json \
--diagnose
Each recommendation includes the failing category, responsible skill, failure type, and which devtu skill to invoke for the fix.
For each failure, verify whether it's an agent error or a GT (ground truth) issue:
temp_docs_and_tests/bixbench/bixbench/data/CapsuleFolder-{uuid}/*.py, *.R, analysis.R, run_*.pyDo not fix manually — use devtu skills so fixes follow established patterns and include tests.
| Diagnosis | What to do | Invoke |
|-----------|-----------|--------|
| Tool returns wrong data | Fix tool code + JSON config | Skill('devtu-fix-tool') |
| No tool exists for this computation | Create new ToolUniverse tool | Skill('devtu-create-tool') |
| Skill gives wrong guidance | Update SKILL.md conventions | Skill('devtu-optimize-skills') |
| Agent needs bundled script | Add script to skill's scripts/ dir | Skill('devtu-optimize-skills') Pattern 15 |
| Grader false negative | Fix grade_answers.py | Direct code fix |
| Multiple coordinated changes | Full cycle | Skill('devtu-self-evolve') |
1. analyze_results.py --diagnose → get recommendations
2. For each recommendation → invoke the appropriate devtu skill
3. bash scripts/build-plugin.sh → rebuild dist
4. run_eval.py --retest failures.json → verify fix
Diagnosis: "ANOVA wrong_answer → tooluniverse-statistical-modeling"
→ Invoke: Skill('devtu-optimize-skills')
→ Tell it: "statistical-modeling skill produces wrong F-statistics for
per-gene expression ANOVA. Agent aggregates at sample level instead
of gene level."
→ The skill handles: read SKILL.md, add convention, verify no
memorization, rebuild, suggest retest.
# Extract failed question IDs
python skills/devtu-benchmark-harness/scripts/analyze_results.py \
--results results.json --extract-failures /tmp/failures.json
# Retest only failures
python skills/devtu-benchmark-harness/scripts/run_eval.py \
--benchmark bixbench --mode plugin-only --retest /tmp/failures.json
Compare: how many flipped from wrong to correct? Update baseline if improved.
grade_answers.py applies 7 strategies in order:
Unicode normalization: minus signs (U+2212), superscript exponents (10⁻²⁶ → e-26).
# Re-grade with LLM
python skills/devtu-benchmark-harness/scripts/grade_answers.py \
--results results.json --output graded.json --llm
The ToolUniverse plugin uses router-only skill matching:
1 auto-matchable skill: "tooluniverse" (router, ~300 chars)
└── Routing table → 113 sub-skills (all disable-model-invocation: true)
Why: Claude Code has a character budget for skill descriptions (~1% of context). 114 skills × 500 chars = 57K exceeds budget → descriptions get dropped. With 1 router, the agent always sees it and routes correctly.
In -p mode, skills don't auto-match. The benchmark runner simulates interactive behavior via full_skill_injection mode: programmatically detects matching skill, injects its full SKILL.md content.
Insert as Phase 3.5 between Testing and Fix:
Phase 3 (Test) → Phase 3.5 (Benchmark) → Phase 4 (Fix via devtu) → Phase 5 (Retest)
The --diagnose flag references these patterns:
| Pattern | Root cause | Fix action |
|---------|-----------|------------|
| DESeq2 wrong_answer | pydeseq2 vs R disagreement, wrong set operations | devtu-optimize-skills on rnaseq-deseq2 |
| ANOVA wrong_answer | F-stat vs p-value confusion, wrong aggregation | devtu-optimize-skills on statistical-modeling |
| spline wrong_answer | R ns() ≠ Python patsy; endpoint inclusion varies | devtu-optimize-skills on statistical-modeling |
| phylogenetics wrong_answer | PhyKIT output column selection, file pairing | devtu-fix-tool on phykit_batch_analysis |
| variant wrong_answer | Multi-row Excel headers, coding-variant denominator | devtu-optimize-skills on variant-analysis |
| enrichGO wrong_answer | R clusterProfiler version sensitivity | devtu-fix-tool on run_deseq2_analysis |
| timeout | Pipeline >30 min (Trimmomatic, GATK) | devtu-create-tool to wrap pipeline |
| GT issue | Ground truth unreproducible with current tools | Document in results, exclude from score |
When adding conventions to skills from benchmark findings:
tools
Generate the success criteria for a task or question, then review work against them. Given a task, goal, or open-ended question, decompose it into scenarios, evaluation perspectives, and fine-grained weighted YES/NO criteria using the Recursive Expansion Tree (RET) method; if work is supplied, score it criterion-by-criterion and surface what is missing or could be better. Use when asked to self-review or check your own work, judge whether a task is done well or completely, build a definition-of-done or completeness checklist, create an evaluation rubric or grading criteria, score or grade answers to a question, set up an LLM-as-judge rubric, or when the user mentions self-review, completeness check, success criteria, evaluation criteria, scoring rubric, Qworld, or the RET algorithm.
tools
Find the real protein target(s) of a peptide from its sequence — peptide target deorphanization / off-target identification, for ANY target class (GPCR, ion channel, protease, cytokine/growth-factor receptor, enzyme, integrin), not only GPCRs. Use when a peptide has a phenotype but does not bind its hypothesized target, when a peptide binds a target in one species or assay but not another, or to screen candidate targets for an orphan peptide. A target-class router steers a multi-route keyless pipeline (PROSITE/ELM motif, BLAST homology, HGNC/InterPro/GPCRdb/GtoPdb target-family enumeration, OpenTargets phenotype anchor, EnsemblCompara/Alliance cross-species reconciliation) plus optional NVIDIA-NIM co-folding (Boltz2, AlphaFold2-Multimer, OpenFold3) for structural confirmation.
tools
Install or update ToolUniverse in Claude Science — create the conda env, install the tooluniverse pip package, and (re)build the tooluniverse-research skill by fetching the current workflow library from GitHub. Use for first-time setup, upgrading the ToolUniverse version, refreshing the bundled workflows after an upstream release, or reinstalling on a new machine.
tools
Install, set up, verify, update, pin, uninstall, or troubleshoot the ToolUniverse plugin on OpenAI Codex. ALWAYS consult this skill for any of those — don't answer from memory, because the exact marketplace name (mims-harvard/ToolUniverse), the "codex plugin marketplace add" then "codex plugin add -m tooluniverse" flow, Codex's startup auto-upgrade behavior, the uvx tooluniverse MCP server, and the API-key env vars are easy to get wrong. Use it whenever someone wants to get ToolUniverse (or "the 1000+ scientific tools" / "the harvard tools") working on Codex, says the Codex plugin or its tools/skills won't load, hits a uvx or MCP-server startup error, asks how Codex updates it, wants to pin or remove it, or finds it running an old tool version — even if they never say the word "plugin". Not for the Claude Code plugin (use tooluniverse-claude-code-plugin), for running research with the tools, or for authoring new tools or skills.