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38 changes: 25 additions & 13 deletions collections/metabolomics/v2/commands/synthesize-meta-skill.md
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---
description: Synthesize a workflow-level super-skill from a pipeline seed — cluster the sub-skills, identify the canonical ordered pipeline, write the orchestration, tier it synthetic/super/hold, and stage a reviewable proposal PR (you never auto-merge — a maintainer merges after open curation).
argument-hint: "[pipeline-name] [short-description] [collection-dir]"
description: Synthesize a workflow-level super-skill from a pipeline seed — cluster the sub-skills, identify the canonical ordered pipeline, write the orchestration, tier it synthetic (or literature when grounded in a review DOI) / super / hold, and stage a reviewable proposal PR (you never auto-merge — a maintainer merges after open curation).
argument-hint: "[pipeline-name] [short-description] [collection-dir] [--review-doi DOI]"
---
You are auto-creating a **super-skill** — a workflow-level meta-skill that
orchestrates several existing sub-skills (e.g. "molecular networking") — and
Expand All @@ -24,8 +24,12 @@ model), [`governance/PROVENANCE_TIERS.md`](../../../../governance/PROVENANCE_TIE
meta-skills — this command generalizes them into a synthesizable, openly-curated rail.

Inputs: `$ARGUMENTS` — the pipeline `name` (required), a short `description` of what
the pipeline does (required), and the collection dir (default
`collections/metabolomics/v2`).
the pipeline does (required), the collection dir (default
`collections/metabolomics/v2`), and an optional `--review-doi <DOI>`. Pass
`--review-doi` **only** when the canonical pipeline is grounded in a real **review
article** (a survey/tutorial that defines these stages): it flips the staged origin
from `synthetic` (derived from the orchestrated skills) to `literature` (the review
DOI is the source) — see step 4. Default (no review DOI) stays `synthetic`.

Steps:

Expand Down Expand Up @@ -77,17 +81,23 @@ Steps:
its source). This is genuine synthesis — write the real workflow, cite real
slugs, don't fabricate.

4. **Assemble the frontmatter (synthetic / super / hold).** Use the synthesizer's
`meta_frontmatter` — it reuses `normalize_skill.normalized_frontmatter` then
layers the super-skill invariants (`metadata.skill_kind="super"`,
4. **Assemble the frontmatter (super / hold; synthetic or literature).** Use the
synthesizer's `meta_frontmatter` — it reuses `normalize_skill.normalized_frontmatter`
then layers the super-skill invariants (`metadata.skill_kind="super"`,
`metadata.orchestrates`, `metadata.synthesized_from`), mirrors `related_skills`
onto the orchestrated slugs, and sets `provenance_tier="synthetic"`,
`status="hold"`:
onto the orchestrated slugs, and sets `status="hold"`. The origin depends on
whether you pass a **review DOI**:
- **default (no `review_doi`)** → `provenance_tier="synthetic"` (the pipeline is
derived from the orchestrated skills);
- **`review_doi="<DOI>"`** → `provenance_tier="literature"`, with
`metadata.dois=[<DOI>]` and `derived_from=[{doi:<DOI>}]` (the pipeline is grounded
in that review article). Only pass it for a real review/survey you can cite — the
proposals gate enforces *literature ⇒ ≥1 doi*; never fabricate a DOI.
```python
from scripts.synthesize_meta_skill import meta_frontmatter

orchestrates = ["<stage-1-slug>", "<stage-2-slug>", ...] # curated, ordered, real
synthesized_from = orchestrates + ["doi:10...."] # sub-slugs (+ review DOIs if any)
synthesized_from = list(orchestrates) # the source sub-skill slugs
tools_used = ["<tool-slug>", ...] # from cluster["tools"]

fm = meta_frontmatter(
Expand All @@ -97,6 +107,7 @@ Steps:
synthesized_from=synthesized_from,
tools_used=tools_used,
license_tier="open", # set from LICENSE_TIERS.md / the grounded tools
review_doi=None, # or "10.xxxx/..." → literature-tier (review-grounded)
)
```

Expand Down Expand Up @@ -134,9 +145,10 @@ Steps:
```

7. **Validate what was staged** with the same gate CI runs — it enforces the
synthetic/super invariants (`synthesized_from` non-empty; `skill_kind ∈
{skill,super}`; for `super`, `orchestrates` non-empty and **every** orchestrated
slug resolves in `skills_index.json`), so the PR is green before any push:
provenance + super invariants (synthetic ⇒ `synthesized_from` non-empty;
literature ⇒ ≥1 `dois`; `skill_kind ∈ {skill,super}`; for `super`, `orchestrates`
non-empty and **every** orchestrated slug resolves in `skills_index.json`), so the
PR is green before any push:
```bash
python -m scripts.check_proposals "<collection-dir>"
```
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source_repos:
- NPLinker/nplinker
schema_version: 0.2.0
license_tier: restricted
license: null
license_detection: none
3 changes: 3 additions & 0 deletions collections/metabolomics/v2/tools/adam-optimizer.yaml
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Expand Up @@ -7,6 +7,9 @@ derived_from:
- doi: 10.1371/journal.pcbi.1009021
title: 'MiMeNet: Exploring microbiome-metabolome relationships using neural networks'
schema_version: 0.2.0
license_tier: open
license: MIT
license_detection: github-api
techniques:
- LC-MS
- GC-MS
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3 changes: 3 additions & 0 deletions collections/metabolomics/v2/tools/adap.yaml
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Expand Up @@ -6,5 +6,8 @@ derived_from:
- doi: 10.1021/acs.analchem.1c02687
title: 'SLAW: A Scalable and Self-Optimizing Processing Workflow for Untargeted LC-MS'
schema_version: 0.2.0
license_tier: open
license: GPL-2.0
license_detection: github-api
techniques:
- LC-MS
3 changes: 3 additions & 0 deletions collections/metabolomics/v2/tools/adviselipidomics.yaml
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Expand Up @@ -10,6 +10,9 @@ derived_from:
source_repos:
- ShinyFabio/ADViSELipidomics
schema_version: 0.2.0
license_tier: open
license: MIT
license_detection: github-api
techniques:
- LC-MS
- mass-spectrometry
3 changes: 3 additions & 0 deletions collections/metabolomics/v2/tools/aer.yaml
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Expand Up @@ -9,5 +9,8 @@ derived_from:
source_repos:
- FrigerioGianfranco/GetFeatistics
schema_version: 0.2.0
license_tier: open
license: GPL-3.0
license_detection: github-api
techniques:
- LC-MS
3 changes: 3 additions & 0 deletions collections/metabolomics/v2/tools/aerith.yaml
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Expand Up @@ -10,6 +10,9 @@ derived_from:
source_repos:
- thepanlab/Aerith
schema_version: 0.2.0
license_tier: open
license: GPL-3.0
license_detection: github-api
techniques:
- LC-MS
- ion-mobility-MS
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Expand Up @@ -6,5 +6,8 @@ derived_from:
- doi: 10.1371/journal.pcbi.1009337
title: 'INTEGRATE: Model-based multi-omics data integration to characterize multi-level metabolic regulation'
schema_version: 0.2.0
license_tier: open
license: GPL-3.0
license_detection: github-api
techniques:
- LC-MS
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Expand Up @@ -6,5 +6,8 @@ derived_from:
- doi: 10.1371/journal.pcbi.1009337
title: 'INTEGRATE: Model-based multi-omics data integration to characterize multi-level metabolic regulation'
schema_version: 0.2.0
license_tier: open
license: GPL-3.0
license_detection: github-api
techniques:
- LC-MS
3 changes: 3 additions & 0 deletions collections/metabolomics/v2/tools/agilent-masshunter.yaml
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Expand Up @@ -11,6 +11,9 @@ derived_from:
source_repos:
- PNNL-Comp-Mass-Spec/PNNL-PreProcessor
schema_version: 0.2.0
license_tier: restricted
license: null
license_detection: none
techniques:
- LC-MS
- GC-MS
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Expand Up @@ -9,6 +9,9 @@ derived_from:
source_repos:
- GarrettLab-UF/LipidMatch
schema_version: 0.2.0
license_tier: open
license: CC-BY-4.0
license_detection: license-file
techniques:
- LC-MS
- direct-infusion-MS
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Expand Up @@ -6,6 +6,9 @@ derived_from:
- doi: 10.1371/journal.pone.0306202
title: uafr
schema_version: 0.2.0
license_tier: restricted
license: null
license_detection: none
techniques:
- LC-MS
- GC-MS
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3 changes: 3 additions & 0 deletions collections/metabolomics/v2/tools/airdpro-v5.yaml
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Expand Up @@ -7,6 +7,9 @@ derived_from:
- doi: 10.1186/s12859-021-04490-0
title: aird
schema_version: 0.2.0
license_tier: open
license: MulanPSL-2.0
license_detection: github-api
techniques:
- LC-MS
- ion-mobility-MS
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3 changes: 3 additions & 0 deletions collections/metabolomics/v2/tools/airdpro-v6.yaml
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Expand Up @@ -7,6 +7,9 @@ derived_from:
- doi: 10.1186/s12859-021-04490-0
title: aird
schema_version: 0.2.0
license_tier: open
license: MulanPSL-2.0
license_detection: github-api
techniques:
- LC-MS
- ion-mobility-MS
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3 changes: 3 additions & 0 deletions collections/metabolomics/v2/tools/alphatims.yaml
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Expand Up @@ -7,6 +7,9 @@ derived_from:
- doi: 10.1021/acs.jproteome.4c00873
title: pyopenmsviz
schema_version: 0.2.0
license_tier: open
license: BSD-3-Clause
license_detection: github-api
techniques:
- LC-MS
- ion-mobility-MS
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3 changes: 3 additions & 0 deletions collections/metabolomics/v2/tools/alvadesc.yaml
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Expand Up @@ -6,6 +6,9 @@ derived_from:
- doi: 10.1186/s13321-022-00613-8
title: Probabilistic metabolite annotation using retention time prediction and meta-learned projections
schema_version: 0.2.0
license_tier: restricted
license: null
license_detection: none
techniques:
- LC-MS
- mass-spectrometry
3 changes: 3 additions & 0 deletions collections/metabolomics/v2/tools/amanida.yaml
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Expand Up @@ -9,5 +9,8 @@ derived_from:
source_repos:
- mariallr/amanida
schema_version: 0.2.0
license_tier: restricted
license: null
license_detection: none
techniques:
- mass-spectrometry
3 changes: 3 additions & 0 deletions collections/metabolomics/v2/tools/anaconda.yaml
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Expand Up @@ -26,6 +26,9 @@ source_repos:
- zhanghailiangcsu/MSBERT
- zhanghailiangcsu/MWFormer
schema_version: 0.2.0
license_tier: restricted
license: null
license_detection: none
techniques:
- LC-MS
- GC-MS
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3 changes: 3 additions & 0 deletions collections/metabolomics/v2/tools/ann-solo.yaml
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Expand Up @@ -10,6 +10,9 @@ derived_from:
source_repos:
- bittremieux-lab/ANN-SoLo
schema_version: 0.2.0
license_tier: open
license: Apache-2.0
license_detection: github-api
techniques:
- LC-MS
- CE-MS
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3 changes: 3 additions & 0 deletions collections/metabolomics/v2/tools/annome.yaml
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Expand Up @@ -9,5 +9,8 @@ derived_from:
source_repos:
- chrboku/AnnoMe
schema_version: 0.2.0
license_tier: open
license: MIT
license_detection: github-api
techniques:
- LC-MS
3 changes: 3 additions & 0 deletions collections/metabolomics/v2/tools/antismash.yaml
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Expand Up @@ -22,6 +22,9 @@ source_repos:
- NPLinker/nplinker
- ablab/npdtools
schema_version: 0.2.0
license_tier: restricted
license: null
license_detection: none
techniques:
- LC-MS
- direct-infusion-MS
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3 changes: 3 additions & 0 deletions collections/metabolomics/v2/tools/apache-maven-3-8.yaml
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Expand Up @@ -7,3 +7,6 @@ derived_from:
- doi: 10.1186/s13321-016-0115-9
title: MetFrag
schema_version: 0.2.0
license_tier: restricted
license: null
license_detection: none
3 changes: 3 additions & 0 deletions collections/metabolomics/v2/tools/appveyor.yaml
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Expand Up @@ -9,3 +9,6 @@ derived_from:
source_repos:
- eugenemel/maven
schema_version: 0.2.0
license_tier: open
license: GPL-3.0
license_detection: github-api
3 changes: 3 additions & 0 deletions collections/metabolomics/v2/tools/arrow.yaml
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Expand Up @@ -7,6 +7,9 @@ derived_from:
- doi: 10.1021/acs.jproteome.5c00435
title: 'mzPeak: Designing a Scalable, Interoperable, and Future-Ready Mass Spectrometry Data Format'
schema_version: 0.2.0
license_tier: restricted
license: null
license_detection: none
techniques:
- LC-MS
- mass-spectrometry
3 changes: 3 additions & 0 deletions collections/metabolomics/v2/tools/asap-ms.yaml
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Expand Up @@ -9,6 +9,9 @@ derived_from:
source_repos:
- Katherine00689/RapidMass
schema_version: 0.2.0
license_tier: restricted
license: null
license_detection: none
techniques:
- LC-MS
- direct-infusion-MS
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Expand Up @@ -9,6 +9,9 @@ derived_from:
source_repos:
- shuzhao-li-lab/asari
schema_version: 0.2.0
license_tier: restricted
license: null
license_detection: file-present-unclassified
techniques:
- LC-MS
- GC-MS
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Expand Up @@ -9,6 +9,9 @@ derived_from:
source_repos:
- shuzhao-li-lab/asari
schema_version: 0.2.0
license_tier: restricted
license: null
license_detection: file-present-unclassified
techniques:
- LC-MS
- GC-MS
3 changes: 3 additions & 0 deletions collections/metabolomics/v2/tools/asari-peaks-module.yaml
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Expand Up @@ -9,6 +9,9 @@ derived_from:
source_repos:
- shuzhao-li-lab/asari
schema_version: 0.2.0
license_tier: restricted
license: null
license_detection: file-present-unclassified
techniques:
- LC-MS
- GC-MS
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3 changes: 3 additions & 0 deletions collections/metabolomics/v2/tools/asari.yaml
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Expand Up @@ -13,6 +13,9 @@ derived_from:
source_repos:
- shuzhao-li-lab/asari
schema_version: 0.2.0
license_tier: restricted
license: null
license_detection: file-present-unclassified
techniques:
- LC-MS
- GC-MS
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3 changes: 3 additions & 0 deletions collections/metabolomics/v2/tools/ase-ani.yaml
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Expand Up @@ -9,6 +9,9 @@ derived_from:
source_repos:
- DasSusanta/snakemake_ccs
schema_version: 0.2.0
license_tier: restricted
license: null
license_detection: none
techniques:
- LC-MS
- ion-mobility-MS
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3 changes: 3 additions & 0 deletions collections/metabolomics/v2/tools/asics.yaml
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Expand Up @@ -9,5 +9,8 @@ derived_from:
source_repos:
- GaelleLefort/ASICS
schema_version: 0.2.0
license_tier: restricted
license: null
license_detection: none
techniques:
- NMR
3 changes: 3 additions & 0 deletions collections/metabolomics/v2/tools/assign-hierarchy.yaml
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Expand Up @@ -9,5 +9,8 @@ derived_from:
source_repos:
- connor-reid-tiffany/Omu
schema_version: 0.2.0
license_tier: restricted
license: null
license_detection: none
techniques:
- NMR
3 changes: 3 additions & 0 deletions collections/metabolomics/v2/tools/autoccs.yaml
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Expand Up @@ -9,6 +9,9 @@ derived_from:
source_repos:
- PNNL-Comp-Mass-Spec/AutoCCS
schema_version: 0.2.0
license_tier: open
license: BSD-2-Clause
license_detection: github-api
techniques:
- LC-MS
- ion-mobility-MS
3 changes: 3 additions & 0 deletions collections/metabolomics/v2/tools/autotuner.yaml
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Expand Up @@ -9,5 +9,8 @@ derived_from:
source_repos:
- KujawinskiLaboratory/Autotuner
schema_version: 0.2.0
license_tier: open
license: MIT
license_detection: github-api
techniques:
- mass-spectrometry
3 changes: 3 additions & 0 deletions collections/metabolomics/v2/tools/avir-r.yaml
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Expand Up @@ -9,6 +9,9 @@ derived_from:
source_repos:
- HuanLab/AVIR
schema_version: 0.2.0
license_tier: open
license: MIT
license_detection: github-api
techniques:
- LC-MS
- GC-MS
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