데이터·AI 스킬

Runs the MS-DIAL preprocessing workflow (peak picking, MS2Dec spectral deconvolution, alignment, gap-filling) and imports the alignment-result table into R or Python with honest filtering. Use when preprocessing LC-MS DDA/DIA (SWATH) raw data with MS-DIAL, deciding MS-DIAL vs XCMS, configuring the MsdialConsoleApp console run, or parsing an MS-DIAL export into a clean feature matrix. For programmatic R peak detection and the feature-table-as-artifact framing see metabolomics/xcms-preprocessing; for lipid annotation mode see metabolomics/lipidomics; for MSI-level confidence honesty see metabolomics/metabolite-annotation; for drift correction and QC see metabolomics/normalization-qc.

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Standardizes molecular structures using ChEMBL chembl_structure_pipeline and RDKit rdMolStandardize covering sanitization, salt/solvent stripping, neutralization, tautomer canonicalization, stereochemistry standardization, mixture handling, and isotope normalization. Explicitly compares ChEMBL pipeline, canSARchem, and PubChem standardization choices. Use when preparing libraries for QSAR training, joining datasets across sources, deduplicating compound collections, or building canonical compound registries.

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Hybrid ML + physics binding affinity prediction. Empirical scoring, MM/GBSA rescoring, multi-method consensus, and batch virtual screening for protein-ligand complexes.

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Decision-grade statistical analysis for metabolomics intensity tables. Covers transformation and scaling (Pareto vs unit-variance as a hidden hypothesis), unsupervised structure (PCA/HCA for QC), permutation-validated PLS-DA/OPLS-DA (R2 vs Q2, double CV, VIP as heuristic), univariate testing (Welch/Mann-Whitney/ANOVA/LMM with covariate adjustment), and dependence-aware multiple testing. Use when testing which metabolites differ, building or validating a discriminant model, choosing a scaling, or correcting many correlated tests. For sample-wise normalization/drift correction see metabolomics/normalization-qc; for ML classifiers and selection-inside-CV leakage see machine-learning/biomarker-discovery and machine-learning/model-validation; for pathway interpretation see metabolomics/pathway-mapping; for design/power/multiplicity regime see experimental-design/multiple-testing.

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Retrieve structurally similar compounds with known properties from ChEMBL/ZINC to ground predictions and inform optimization. Based on MolRAG (Xian 2025, ACL).

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Therapeutics Data Commons. AI-ready drug discovery datasets (ADME, toxicity, DTI), benchmarks, scaffold splits, molecular oracles, for therapeutic ML and pharmacological prediction.

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Builds QSAR / QSPR models using chemprop D-MPNN, MolFormer, Uni-Mol, ChemBERTa, random forest baselines, and Gaussian processes with explicit handling of OECD 5 principles, applicability domain (kNN, leverage, conformal prediction, Mahalanobis), scaffold-balanced splits, ensemble uncertainty, calibration (Platt, isotonic), feature importance (SHAP, atomic attribution), and prospective validation. Use when building target-specific predictive models from in-house bioassay data, ADMET endpoints, or selectivity profiles.

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Complete mass spectrometry analysis platform. Use for proteomics workflows feature detection, peptide identification, protein quantification, and complex LC-MS/MS pipelines. Supports extensive file formats and algorithms. Best for proteomics, comprehensive MS data processing. For simple spectral comparison and metabolite ID use matchms.

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Performs alchemical free-energy calculations including relative binding free energy (RBFE / FEP+) and absolute binding free energy (ABFE) via OpenFE, FEP+, GROMACS, AMBER pmemd, and OpenMM with explicit lambda window scheduling, soft-core potentials, REST2 enhanced sampling, MBAR/BAR analysis, and cycle closure validation. Compares ML alternatives (Boltz-2 affinity, DeepDock). Use when ranking analogs by binding affinity beyond docking accuracy, performing prospective lead optimization, or validating SAR predictions.

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Designs QC, corrects signal drift, removes batch effects, filters features, normalizes samples, and imputes missing values for untargeted LC-MS/GC-MS metabolomics, framing each step as a measurement model that can create or erase biological signal. Use when processing a peak/feature table before statistical analysis, choosing a drift-correction or sample-normalization method, deciding QC RSD vs D-ratio filtering, or handling left-censored missing values. The feature table is produced by metabolomics/xcms-preprocessing or metabolomics/msdial-preprocessing; transformation/scaling for modeling defers to metabolomics/statistical-analysis; cross-study design issues link to experimental-design/batch-design.

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Add a standard AdwAboutDialog wired to app metadata, plus the AppStream metainfo file it should share data with. Use when adding an About entry, release notes, credits, or preparing app metadata.

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Analyze Chronote product adoption with PostHog and Langfuse, including active users, meetings, feature usage, AI telemetry, and privacy-safe resolution of active Discord guild IDs to live server names.

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Rewrite a rough request into a sharp, structured prompt before acting on it. Use when the user says "reprompt this", "reprompt", "improve this prompt", "make this prompt better", "structure this request", or hands you a vague/underspecified ask you should sharpen first. Complements the automatic per-turn sharpener (the UserPromptSubmit hook) for explicit, heavier rewrites. Personalizes from ~/.stellar-build/profile.md when present.

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Review and rank an entire SCF round end-to-end from a CSV export. Supports Open Track, Integration Track, and RFP Track with track-specific scoring dimensions. Reads submission data directly from an Airtable CSV, auto-detects columns, categorizes, runs parallel batch reviews, cross-batch calibration, and final ranking. All output is markdown. Use when you have a CSV export of an SCF Build Award round and need to review, score, and rank every submission.

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Querying Stellar chain data via Stellar RPC (preferred) and Horizon (legacy). Covers RPC JSON-RPC methods, Horizon REST endpoints, streaming, pagination, historical queries, Hubble/Galexie for deep history, and the RPC/Horizon migration story. Use when reading balances, transactions, operations, ledgers, contract events, or building any indexer/analytics workflow.

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Benchmark stellar-build skills to measure quality and the lift from optimization. Use when the user says "bench my skills", "bench-skills", "benchmark skills", "did optimization help", "measure my skills", "stellar-loop bench", or wants to quantify whether /optimize-skills actually improved things. Held-out eval prompts scored by an LLM judge, reproducible with fixed seeds. Fully local.

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Compile your local stellar-build usage traces into sharper skills. Use when the user says "optimize my skills", "optimize-skills", "improve my skills from usage", "learn from my traces", "stellar-loop optimize", or wants the learning loop to refine installed skills based on how they've actually been used. DSPy-style prompt optimization over the local trace store at ~/.stellar-build/traces — fully local, reversible.

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Surface current and recent Stellar Community Fund (SCF) round activity. Use when a user says "current SCF round", "what's happening with SCF", "active SCF submissions", "should I apply to SCF this round", "SCF deadline", "who is applying to SCF right now", "SCF round status", or "show me this round's submissions". Fetches live data from communityfund.stellar.org and cross-references with the LumenLoop ecosystem DB to flag repeat builders and category trends.

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Scrap and regenerate the in-flight EF migrations on the current branch as one consolidated migration. Use when migrations have accumulated mid-development cruft (added/removed columns, stacked add-column-to-existing-table fixes, hand-edited SQL that needs to come out, schema changes that should have been one migration but ended up as five), or when the branch has merged main and its migrations are now stuck mid-chain so `dotnet ef migrations remove` is unsafe. Triggers on phrases like 'regen the migrations', 'redo these migrations', 'scrap and regen migrations', 'consolidate the in-flight migrations', 'redo the migration stack', or any time an agent hits the mid-chain situation in `memory/architecture/migration-regen-after-rebase.md`.

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Rules for the VenTu data layer — scripts/, public/data/, scores, buoys (IH/WMO), Open-Meteo, IPMA, Ecowitt, news, Dawn Patrol. Use whenever touching data scripts, generated JSON, scoring, staleness display, or any data source.

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When the user wants to create or optimize in-app paywalls, upgrade screens, upsell modals, or feature gates. Also use when the user mentions "paywall," "upgrade screen," "upgrade modal," "upsell," "feature gate," "convert free to paid," "freemium conversion," "trial expiration screen," "limit reached screen," "plan upgrade prompt," or "in-app pricing." Distinct from public pricing pages (see page-cro) — this skill focuses on in-product upgrade moments where the user has already experienced value.

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Implement Flutter, React Native, or native Swift apps. Use for mobile screens, widgets, platform integrations, and application data flows.

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Generate realistic, correctly-linked Frappe/ERPNext test records for any DocType using the `bench faker` CLI, then roll them back when done. Use when a test, demo, or local repro needs seed data and the site is missing it — e.g. "I need some Sales Orders", "seed data so I can test this API", "create test Employees in Chennai", or "populate the database to test this endpoint".

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Build marketplaces for AI models and prompts. TRIGGERS - Use when user needs help with ai-marketplace-builder related tasks.

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