Evidence-grounded skills and software-tool records for scientific AI agents,
distilled from published method papers and their code by the AgenticScienceBuilder pipeline.
A skill is a short procedure that an AI agent can read and follow. The
AgenticScienceBuilder (ASB) pipeline writes each one from a method paper (54 of the
566 are preprints) and, where one exists, its public code repository, anchors it to
verbatim evidence from those sources (for repo-oa papers, the repository's own
documentation; CONTENT_POLICY.md), annotates it with
EDAM terms, and passes it through a licence and PII gate before release. This
repository is the public registry of those collections: the released metabolomics
collection, its per-technique packs, the install and search tooling, and the
governance of the community that curates them. The project started at the
Dagstuhl Seminar Computational Metabolomics
(26181,
26 to 30 April 2026).
collections/metabolomics/v2, release
metabolomics-v0.2.0 (preliminary): 5,859 skills across 909 tools,
distilled from 566 papers, plus 21 composite workflow super-skills that
chain the atomic skills into end-to-end pipelines
(workflows/). Coverage is mostly
LC-MS/MS, with LC-MS, GC-MS, mass-spectrometry imaging, ion mobility and
lipidomics, some NMR, and multi-omics, statistics and pathway tools.
| Layer | Contents | State |
|---|---|---|
| ASB-Skills | evidence-grounded procedural skills | released |
| ASB-Workflows | composite end-to-end pipeline super-skills | released |
| ASB-Tools | deduplicated software-tool records with EDAM terms and DOIs | released |
| ASB-Benchmark | per-paper tasks and claim-retrieval test sets | later |
| ASB-Capsules | raw per-paper pipeline outputs, for full traceability | later |
Claude Code (plugin marketplace, public GitHub route):
/plugin marketplace add HolobiomicsLab/asb-skill-collections
/plugin install metabolomics@asb-skill-collectionsThis route was verified at CLI level on 2026-10-30 with Claude Code 2.1.304:
claude plugin marketplace add HolobiomicsLab/asb-skill-collections and
claude plugin install metabolomics@asb-skill-collections both exited 0. Loading
the skills in a live session was not exercised. The marketplace keeps a clone of
this repository (286 MB) beside the plugin cache (72 MB), about 358 MB on disk.
From a local checkout, claude plugin marketplace add "$PWD" then
claude plugin install metabolomics@asb-skill-collections installs the same
plugin without that clone
(USAGE §1).
Per-technique packs such as metabolomics-lc-ms are lighter subsets
(packs/metabolomics): metabolomics-lc-ms was
installed the same way at CLI level (29 MB plugin cache), and the other seven
packs were built but not installed.
Other agent runtimes (asbb CLI from a checkout; Python 3.12 or later and PyYAML,
in a virtual environment):
git clone https://github.com/HolobiomicsLab/asb-skill-collections
cd asb-skill-collections
uv venv -p 3.12 --allow-existing && source .venv/bin/activate && uv pip install pyyaml
python3 -m asb_skill_collections.asbb_cli install metabolomics --runtime agents # ~/.agents/skills (Codex, Copilot CLI, Gemini CLI)
python3 -m asb_skill_collections.asbb_cli install --list-runtimes # agents (verified), codex, copilot, gemini, claude, cursor, cline, vscode-copilot, --dest DIR (experimental)Without uv, python3.12 -m venv .venv && . .venv/bin/activate && python -m pip install pyyaml
prepares the same environment. On macOS the environment is needed: Homebrew's Python
refuses a system-wide pip install, and Apple's /usr/bin/python3 is older than 3.12.
Each install copies the unit into a content-addressed snapshot that survives a moved
checkout; rerun install to refresh (usage guide:
commands, outputs, uninstall). Any other agent can read the Markdown and JSON under
collections/metabolomics/v2/ directly (AGENTS.md). Not on PyPI in v0: an index
install would fetch the CLI without the corpus it reads. Verified routes and dates: docs/STATUS.md.
Install the whole collection, a technique pack, a selection of skills
(asbb install --skills, --skills-file or --query), or fetch chosen skills
without a checkout (asbb fetch). Commands, outputs and refusals:
docs/partial-install.md.
| Install | Technique tag | Leaves | On disk (du) |
|---|---|---|---|
metabolomics, the full collection |
all | 5,859 | 72 MiB |
metabolomics-lc-ms |
LC-MS |
2,617 | 29 MiB |
metabolomics-ms-generic |
mass-spectrometry |
804 | 8.5 MiB |
metabolomics-ion-mobility |
ion-mobility-MS |
385 | 4.3 MiB |
metabolomics-gc-ms |
GC-MS |
367 | 4.0 MiB |
metabolomics-ms-imaging |
MS-imaging |
291 | 3.2 MiB |
metabolomics-nmr |
NMR |
276 | 2.9 MiB |
metabolomics-ce-ms |
CE-MS |
113 | 1.4 MiB |
metabolomics-direct-infusion |
direct-infusion-MS |
97 | 1.1 MiB |
a selection, asbb install --skills a,b,c --collection metabolomics/v2 --runtime agents |
chosen slugs | 10 in the example | 188 KiB |
a fetch, asbb fetch a,b --collection metabolomics/v2 --dest DIR |
chosen slugs | 10 in the example | 112 KiB |
The first nine rows install by name: /plugin install <name>@asb-skill-collections
in Claude Code, where the public marketplace also keeps its 286 MB clone of this
repository, or python3 -m asb_skill_collections.asbb_cli install <name> --runtime agents.
Their sizes are du -sk of the built unit in this repository on 2026-10-31; the
selection and fetch rows are the 10-skill example of
docs/partial-install.md, and a fetch also
downloads the 5.2 MiB (5,430,046 bytes) skills_index.json. du counts allocated
blocks, so the full collection that takes 72 MiB here is the 61 MB of file content
that docs/partial-install.md reports.
Packs overlap: a skill tagged with several techniques is in several packs, so install the full collection or a few packs, not both. The 1,520 technique-agnostic skills (statistics, pathway and generic data-handling procedures) carry no technique tag and are in no pack; they come with the full collection, a selection or a fetch.
Search a checkout offline, with no API key:
uv venv -p 3.12 --allow-existing && source .venv/bin/activate
uv pip install -e . # in a python3.12 -m venv environment: python -m pip install -e .
asbb search "untargeted LC-MS/MS annotation" --collection metabolomics --target workflows
asbb get untargeted-lcmsms-annotation --collection metabolomics/v2 --target workflows
asbb search --list-collectionsWithout installing, python3 -m asb_skill_collections.asbb_cli runs the same
commands. The CLI, the router, the MCP server and the collection-level search
scripts share one versioned selector; each hit reports its score, matched fields
and qualified slug. How offline skill selection works
documents the rule, its tie handling and its 22-query measurement.
Apply. Read the skill's SKILL.md and follow the procedure. Tool
requirements are in its frontmatter and in USAGE §0.
Ground. To check an exact parameter, threshold or claim (the difference between "the skill says about 5 ppm" and "the paper specifies 5 ppm"), ground the skill against its source paper. Grounding is optional, ships inside every plugin and pack, and uses Perspicacité, Holobiomics Lab's local-first literature RAG engine, with two backends:
kb: RAG over the paper's full text and supplementary information. The per-paper KB (asb-paper-<doi>) is created on first use through the Perspicacité HTTP API; no MCP server is required. Needs Perspicacité atPERSPICACITE_BASE(defaulthttp://127.0.0.1:8000).local: no server. Clones the skill's source repository and fetches the open-access paper where possible. Needsgitand network.
In Claude Code, run /ground on the skill in play; elsewhere, call the bundled
bin/perspicacite_kb_bind.py (prepare, query, local). Full guide:
USAGE §4.
The LC-MS view of the collection (the metabolomics-lc-ms pack). The full release covers all techniques.
| File | Contents |
|---|---|
leaves/<slug>/SKILL.md |
one evidence-grounded skill each (frontmatter: EDAM IRIs, derived_from DOIs, tools, attribution; verbatim evidence lines in the body). Shipped as data and read on demand, so installing does not load the corpus into the session's context. |
skills/*/SKILL.md |
three advertised entries: the router, the collection and licence policy, the contribution channel |
workflows/<slug>/SKILL.md |
composite workflows and their router, workflows/_workflow_router/SKILL.md |
tools/<slug>.yaml |
deduplicated software-tool records with EDAM terms and source DOIs |
skills_index.json, tools_index.json |
machine search indexes (EDAM IRI, tool name, keyword) |
kb_bundle.json |
skill to source-paper KB slugs and repo_urls (the grounding map) |
bin/perspicacite_kb_bind.py, commands/ground.md, GROUNDING.md |
packaged grounding: the binder, the /ground command and a how-to |
commands/*.md |
the four plugin commands: /ground; /propose-skill, which stages a community skill proposal; /synthesize-meta-skill, which stages a workflow super-skill proposal; /claim-skill, run by a maintainer to turn a tool author's claim into a proposal that credits the author |
collection.yaml, corpus.yaml |
collection record; per-paper access basis (repo-oa) |
CITATION.cff, PROVENANCE.md, gate_report.json |
citation, how it was generated, release-gate verdict |
The default entry point is skills/_router/SKILL.md. Technique and EDAM-topic
breakdowns and the selection criteria are in ABOUT.md.
Skills come from method papers anchored to the computational metabolomics review
series (SOURCES.md: sources and inclusion criteria;
CONTENT_POLICY.md: legal and open-access policy).
PROVENANCE.md records the exact build
command and model routing: Claude Opus 4.8 for outline and card revision, Claude
Haiku 4.5 for the other stages, OpenAI text-embedding-3-large and -small for
embeddings, each build recorded in build_manifest.json.
| Repository | Role | Access |
|---|---|---|
| asb-skill-collections (this one) | registry, release tooling, governance, released metabolomics collection | public |
| AgenticScienceBuilder | the pipeline and schema that generate the collections | private, to follow |
| asb-skills-<domain> | one repository per domain, same collections/<domain>/<version>/ and packs/<domain>/<technique>/ layout |
private, to follow |
| indicium | standard for a typed scientific claim bound to the evidence that grounds it | private, to follow |
| indicium-adapters, indicium-adapters-<domain> | per-domain adapters that enrich indicium claims with ontology terms | private, to follow |
| Perspicacite-AI | literature RAG engine used for grounding | public |
| Mimosa-AI | multi-agent framework for autonomous scientific research | public |
Domain and adapter repositories exist for metabolomics and nine further domains
(agentic AI, astronomy, epigenomics, genomics, metabarcoding, metagenomics, multi-omics,
proteomics, transcriptomics) and will be published with their releases. Until then the
metabolomics collection is served from here; collections/ also holds staged
epigenomics/v1, transcriptomics/v1 and metabolomics/v1, not part of this release.
Cite the collection and the original paper behind each skill you use
(attribution.original_doi in its SKILL.md).
- Concept DOI, for all versions: 10.5281/zenodo.20794026.
- Version DOI of the deposited version,
metabolomics-v0.1.0(22 June 2026): 10.5281/zenodo.20794027. Themetabolomics-v0.2.0content of this repository is not yet deposited. - Authors. The v2 deposit (CITATION.cff): AgenticScienceBuilder Community, Louis-Félix Nothias, HolobiomicsLab.cnrs.fr, MetaboLinkAI.net. From the next versioned release on (root CITATION.cff): Louis-Félix Nothias and the AgenticScienceBuilder AI framework, joined by curators (call for curators).
- Per-skill roles (
attribution:in eachSKILL.md):generator(the ASB pipeline),curators(none yet),promoter(Louis-Félix Nothias),sponsor(CNRS and Université Côte d'Azur, who paid the API cost),original_doi.
Every skill carries a license_tier (in skills_index.json and in its SKILL.md
frontmatter) that answers what may I do with the underlying tool?
| Tier | Meaning |
|---|---|
open |
commercial use allowed (MIT, Apache-2.0, GPL, CC-BY, ...) |
noncommercial |
academic or noncommercial use only; confirm permitted use before applying the skill |
restricted |
licence established and it constrains reuse; check it before commercial use or redistribution |
unknown |
no tool-level licence evidence; describing and using are unaffected; never redistribute the tool's code |
The search tools do not filter by tier. The router tells the agent to prefer open
skills when no tier is requested, and to get confirmation of a permitted (academic or
noncommercial) use before applying a noncommercial one; the asb-metabolomics
meta-skill carries the same acknowledgement step. A technique pack's router carries the
noncommercial confirmation inline but no open-first default
(LICENSE_TIERS.md). Code is
under Apache-2.0, collection content under CC-BY-4.0; verbatim quotations
(evidence_spans) are minimal and attributed, and a rights holder may request removal
(LICENSING.md). Other policies are in governance/, starting
with MAINTAINERS.md and COI_POLICY.md.
- A skill was wrong, stale or missing. The
asb-contributeskill, shipped with the plugin, turns it into a redacted report you approve before anything is filed; from a checkout,scripts/make_improvement_report.pyprints an anonymised issue body, and with--print-urla pre-filled issue URL. - Propose or annotate a paper, a collection or a workflow: CONTRIBUTING.md.
- Credit. Merged contributions count on the contributor leaderboard and can lead to co-authorship of the next release DOI (CONTRIBUTION_LOOP.md).
- Before packaging, run
python -m scripts.unit_closurefrom the repository root: it compares each shipped unit's indexes with its leaves and checks declaredmetadata.helperfiles.
- Verified for this release: the full
metabolomicscollection as a managed install, Claude Code from a local-checkout marketplace, and the checkout CLI. - Verified at CLI level on 2026-10-30 (Claude Code 2.1.304), in-session load not exercised: Claude Code from the public GitHub marketplace (about 358 MB on disk) and the
metabolomics-lc-mspack. - Pending or experimental: the other seven packs, the web UI, runtime adapters other than
agents, the MCP server. Not yet published: PyPI, the documentation site, the HuggingFace mirror, the benchmark and the capsules. - The
w3id.org/holobiomicslab/andw3id.org/asbidentifiers resolve. Dates, measurements and detail per surface: docs/STATUS.md.
We thank the participants and organisers of Dagstuhl Seminar 26181, Computational Metabolomics, where this collaboration began. API generation costs for this collection were sponsored by CNRS and Université Côte d'Azur. Maintained by Holobiomics Lab (CNRS, Université Côte d'Azur).
