「rag」の検索結果

Authors reproducible bioinformatics pipelines with Snakemake - rules wired by output-file pattern, wildcards and expand() for sample fan-out, checkpoints for runtime-unknown outputs, resource/retry escalation, and conda/container software deployment on HPC and cloud. Use when deciding rule-based (Snakemake) vs channel/dataflow (Nextflow) authoring; wiring rules by OUTPUT-file pattern rather than imperative order; using wildcards + expand() for sample fan-out and constraining them to stop silent mis-routing; adding checkpoints when the set of outputs is unknown until a step runs (dynamic DAG); diagnosing why a job reran (or did not) under the mtime-plus-provenance trigger set; escalating memory on retry for OOM-killed jobs; and porting a Snakemake 7 `--cluster`/remote-provider command to the Snakemake 8+ executor-plugin and storage-plugin model (snakemake-executor-plugin-slurm) with `--software-deployment-method`.

日本語の概要は準備中です。原文の説明を表示しています。

Orchestrates the end-to-end germline short-variant pipeline from FASTQ to a filtered, normalized, benchmarked VCF, chaining QC/trim, BWA-MEM2 alignment, duplicate marking, optional BQSR, calling (bcftools/GATK HaplotypeCaller/DeepVariant/DRAGEN), normalization, site+genotype filtering, annotation, and hap.py/vcfeval benchmarking. Use when deciding the pipeline-wide reference-genome commitment (GRCh38 analysis set vs T2T, ALT/decoy handling), sequencing the steps in the defensible order (normalize BEFORE annotate, filter site- then genotype-level), choosing the calling engine and single-sample vs cohort joint-calling, picking a filtering strategy by cohort size, or benchmarking stratified within GIAB confident regions. Hands off mechanism to the variant-calling and read-alignment component skills; not a re-teach of any single step.

日本語の概要は準備中です。原文の説明を表示しています。

Cell-free DNA analysis pipeline from plasma sequencing to tumor monitoring. Preprocesses cfDNA reads, analyzes fragment patterns, estimates tumor fraction from sWGS, and optionally detects mutations from targeted panels. Use when analyzing liquid biopsy samples for cancer detection or monitoring.

日本語の概要は準備中です。原文の説明を表示しています。

Orchestrate the full ToolUniverse self-improvement cycle: discover APIs, create tools, test with researcher personas, fix issues, optimize skills, and push via git. References and dispatches to all other devtu skills. Use when asked to: run the self-improvement loop, do a debug/test round, expand tool coverage, improve tool quality, or evolve ToolUniverse.

日本語の概要は準備中です。原文の説明を表示しています。

Automatically discover life science APIs online, create ToolUniverse tools, validate them, and prepare integration PRs. Performs gap analysis to identify missing tool categories, web searches for APIs, automated tool creation using devtu-create-tool patterns, validation with devtu-fix-tool, and git workflow management. Use when expanding ToolUniverse coverage, adding new API integrations, or systematically discovering scientific resources.

日本語の概要は準備中です。原文の説明を表示しています。

Designs novel molecules using REINVENT 4 (de novo, scaffold decoration, linker design, R-group, molecular optimization), MolMIM, Diffusion-based generators (DiGress, DiffSMol), and JT-VAE with explicit handling of multi-parameter optimization (MPO), goal-directed scoring functions, transfer/reinforcement/curriculum learning, synthetic accessibility scoring, and chemical space exploration vs exploitation. Use when designing new chemical matter against a target, decorating a scaffold, linking fragments, or optimizing a hit for multiple ADMET / activity properties simultaneously.

日本語の概要は準備中です。原文の説明を表示しています。

De novo molecule generation for drug discovery. Scaffold-based analog enumeration, fragment growing/linking, structure-based design, multi-objective optimization, and drug-likeness filtering.

日本語の概要は準備中です。原文の説明を表示しています。

Biological knowledge: query curated assertions and reference databases for genes, variants, pathways, regulation, cell types, reference atlases, perturbation-derived relationships, phenotypes, therapeutic targets, drugs, interactions, annotations, signatures, compounds, and predicted structures. Use for identifiers, marker sets, gene sets, associations, ontologies, database facts, and cross-database coverage.

日本語の概要は準備中です。原文の説明を表示しています。

Reads, writes, and converts molecular file formats (SMILES, InChI, SDF V2000/V3000, MOL2, PDB, MMTF) using RDKit and Open Babel with rigorous handling of aromaticity perception, stereochemistry, implicit/explicit hydrogens, kekulization, and salt/fragment separation. Use when loading chemical libraries, debugging parse failures, or preparing molecules for downstream standardization, descriptor calculation, or docking.

日本語の概要は準備中です。原文の説明を表示しています。

Turns untargeted LC-MS/MS features (m/z, RT, MS/MS) into confidence-stratified metabolite annotations using spectral-library matching (matchms), in-silico tools (SIRIUS/CSI:FingerID, MetFrag) and molecular networking, and assigns a defensible MSI/Schymanski confidence level to each. Use when naming detected features, scoring MS/MS against a reference library, running SIRIUS, or deciding what confidence level an evidence set actually supports. For upstream feature extraction see metabolomics/xcms-preprocessing and metabolomics/msdial-preprocessing; for downstream enrichment that must respect these levels see metabolomics/pathway-mapping; for lipid-specific structural annotation see metabolomics/lipidomics.

日本語の概要は準備中です。原文の説明を表示しています。

Assigns honest lipid annotation levels, designs class-based internal-standard quantification, and runs lipid-aware differential and enrichment analysis with lipidr, guarding against in-source-fragment phantoms, sn-position over-claims, and invalid cross-class quantification. Use when naming or canonicalizing lipid species (shorthand separators, Goslin), deciding shotgun vs RP vs HILIC LC-MS, picking internal standards (SPLASH/EquiSPLASH), interpreting MS-DIAL/LipidSearch output, or comparing lipid classes. For general feature detection see metabolomics/xcms-preprocessing and metabolomics/msdial-preprocessing; for non-lipid annotation confidence see metabolomics/metabolite-annotation; for normalization/QC see metabolomics/normalization-qc; for multivariate stats see metabolomics/statistical-analysis.

日本語の概要は準備中です。原文の説明を表示しています。

Enumerates virtual chemical libraries via reaction SMARTS transformations using RDKit and Reaction templates, with explicit handling of atom mapping, template extraction (RDKit reaction mining), product validation, RECAP/BRICS fragmentation, R-group decomposition, matched molecular pair analysis (MMPA), and Free-Wilson analysis. Use when generating combinatorial libraries from building blocks, enumerating analog series, deriving structure-activity rules, or extracting transformations from reaction data.

日本語の概要は準備中です。原文の説明を表示しています。

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.

日本語の概要は準備中です。原文の説明を表示しています。

Verify implementation matches change artifacts. Use when the user wants to validate that implementation is complete, correct, and coherent before archiving.

日本語の概要は準備中です。原文の説明を表示しています。

Continue working on an OpenSpec change by creating the next artifact. Use when the user wants to progress their change, create the next artifact, or continue their workflow.

日本語の概要は準備中です。原文の説明を表示しています。

Sync delta specs from a change to main specs. Use when the user wants to update main specs with changes from a delta spec, without archiving the change.

日本語の概要は準備中です。原文の説明を表示しています。

Archive a completed change in the experimental workflow. Use when the user wants to finalize and archive a change after implementation is complete.

日本語の概要は準備中です。原文の説明を表示しています。

Enter explore mode - a thinking partner for exploring ideas, investigating problems, and clarifying requirements. Use when the user wants to think through something before or during a change.

日本語の概要は準備中です。原文の説明を表示しています。

Archive multiple completed changes at once. Use when archiving several parallel changes.

日本語の概要は準備中です。原文の説明を表示しています。

Implement tasks from an OpenSpec change. Use when the user wants to start implementing, continue implementation, or work through tasks.

日本語の概要は準備中です。原文の説明を表示しています。

Guided onboarding for OpenSpec - walk through a complete workflow cycle with narration and real codebase work.

日本語の概要は準備中です。原文の説明を表示しています。

Start a new OpenSpec change using the experimental artifact workflow. Use when the user wants to create a new feature, fix, or modification with a structured step-by-step approach.

日本語の概要は準備中です。原文の説明を表示しています。

Fast-forward through OpenSpec artifact creation. Use when the user wants to quickly create all artifacts needed for implementation without stepping through each one individually.

日本語の概要は準備中です。原文の説明を表示しています。

Apple's approach to interface design and fluid, physical motion, translated for the web. Use when building or reviewing gesture-driven UI, spring animations, drag/swipe/sheet interactions, momentum and interruptible transitions, translucent materials and depth, typography (optical sizing, tracking, leading), reduced-motion, or the design foundations (feedback, spatial consistency, restraint) behind Apple-style interfaces.

日本語の概要は準備中です。原文の説明を表示しています。