Results for “workflow”

Orchestrates an end-to-end CRISPR editing experiment design from target gene to delivery-ready, validatable constructs. Sequences guide design, off-target assessment, edit-modality selection (knockout, base editing, prime editing, HDR knock-in), and template/donor design, with a QC checkpoint at each handoff. Use when designing a complete CRISPR experiment for knockout, point correction, or tagging and the order of operations, the modality decision, and the cross-cutting traps are needed rather than a single step. Defers each step's mechanics to the genome-engineering skills.

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End-to-end post-GWAS causal inference pipeline orchestrating heritability partitioning, genetic correlation, Mendelian randomization with CHP-aware sensitivity (CAUSE / LHC-MR), colocalization, fine-mapping with SuSiE / FOCUS, mediation, TWAS triangulation, cis-pQTL drug-target MR, effector-gene prioritization (L2G / PoPS / cS2G), and GenomicSEM common-factor GWAS. Use when triangulating causal inference across multiple complementary methods, prioritizing tissues via stratified LDSC, nominating or de-risking drug targets, mapping a lead SNP to a candidate effector gene, modeling shared genetic architecture across correlated traits, or producing a STROBE-MR-compliant publication-grade evidence battery from GWAS summary statistics.

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Orchestrates an end-to-end MeRIP-seq / m6A-seq analysis from raw FASTQ to differential m6A peak calls and metagene plots, chaining fastp adapter trimming, STAR splice-aware alignment (NO deduplication for non-UMI MeRIP), deepTools replicate-concordance + IP-enrichment QC, PreSeq saturation curves, exomePeak2 (transcript-aware Poisson GLM) peak calling, optional MACS3 broad-peak cross-check, DRACH motif confirmation as a sanity check (NOT a per-peak filter), exomePeak2 differential calling via the four-BAM-vector interface (bam_ip + bam_input control; bam_treated_ip + bam_treated_input treatment), ChIPseeker annotation, and the canonical Guitar metagene with stop-codon enrichment as the biological QC anchor. Use when running a complete MeRIP analysis from raw reads, when chaining the constituent epitranscriptomics skills (merip-preprocessing -> m6a-peak-calling -> m6a-differential -> modification-visualization), or when wrapping the pipeline in Snakemake / Nextflow.

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GitHub workflow for ToolUniverse - push code safely by moving temp files, activating pre-commit hooks, running tests, and cleaning staged files. Use when pushing to GitHub, fixing CI failures, or cleaning up before commits.

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Analyze metabolomics data end-to-end — metabolite identification, quantification (TIC normalization, batch correction), differential analysis, and pathway interpretation. Use for processing mass-spec metabolomics output, normalization choice, untargeted metabolomics workflows, and integrating with other omics layers.

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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.

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Performs ML-based protein-ligand pose prediction and scoring using DiffDock-L (diffusion-based), Boltz-1 / Boltz-2 (foundation model with affinity), Chai-1, AlphaFold3 ligand, EquiBind, TANKBind, NeuralPLexer, and hybrid workflows (DiffDock pose + GNINA rescore + PoseBusters QC). Explicit handling of when ML beats classical docking, when classical beats ML, the PB-invalid pose problem, and rescoring as the standard production hybrid. Use when modern docking is needed: foundation-model ligand-pose prediction, AI rescoring of classical poses, or scaffold-hopping in cross-docking scenarios.

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Builds and applies 3D pharmacophore models using RDKit Pharm3D, the apo2ph4 receptor-based workflow (Heider et al 2022/2023 J Chem Inf Model 63:147-158), Pharmer / Pharmit (search), and PharmacoForge (diffusion-based generation, Flynn et al 2025 Front Bioinform), covering ligand-based pharmacophore (from active set alignment) and receptor-based pharmacophore (from binding pocket geometry). Explicit handling of feature types, geometric tolerances, partial matching, and pharmacophore-based virtual screening. Use when identifying scaffold-hopping candidates, building shape-and-feature search queries, or transferring SAR across chemotypes.

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Designs PROTACs, molecular glues, and bivalent degraders with explicit handling of E3 ligase choice (VHL, CRBN, IAP, MDM2, KEAP1), linker design (length, composition, rigidity), ternary complex prediction (PRosettaC, DeepTernary, AlphaFold3 with constraints), cooperativity (alpha), DC50 / Dmax characterization, hook effect, and prediction-experiment reconciliation. Use when designing targeted protein degraders, planning linker SAR, predicting ternary complex stability, or building generative degrader workflows.

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Cheminformatics toolkit for fine-grained molecular control. SMILES/SDF parsing, descriptors (MW, LogP, TPSA), fingerprints, substructure search, 2D/3D generation, similarity, reactions. For standard workflows with simpler interface, use datamol (wrapper around RDKit). Use rdkit for advanced control, custom sanitization, specialized algorithms.

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Molecular ML with diverse featurizers and pre-built datasets. Use for property prediction (ADMET, toxicity) with traditional ML or GNNs when you want extensive featurization options and MoleculeNet benchmarks. Best for quick experiments with pre-trained models, diverse molecular representations. For graph-first PyTorch workflows use torchdrug; for benchmark datasets use pytdc.

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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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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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Stellar smart contract development (Rust, soroban-sdk). Entry point with project setup, contract anatomy, and build/deploy workflow, routing to three companion files in this directory — development.md (storage/TTL, authorization, cross-contract calls, tokens, events, errors, upgrades, fees, troubleshooting), testing.md (unit, fuzz, property, fork, mutation, integration), and security.md (vulnerability classes, checklists, tooling, audits). Use when writing, testing, reviewing, securing, debugging, or shipping Stellar smart contracts, including anything the user calls "Soroban" — Soroban contracts, soroban-sdk, Soroban auth/storage/TTL errors, SEP-41 tokens, or SAC integration from contract code.

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

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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.

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

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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.

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Autonomous tech-debt reduction workflow for the Humans repository. Use when the user wants Codex to improve high-value code quality issues in a dedicated git worktree branched from origin/main, commit each improvement separately, push progress, and continue until diminishing returns.

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Autonomous Reforge-guided refactor workflow for the Humans repository. Use when the user wants Codex to target a section such as Shifts, Users, Teams, Tickets, Camps, or Store, create a dedicated worktree/branch from origin/main, run iterative architecture-focused improvements, score each stage with Reforge, gate commits through a score-blind read-only architecture review, append score and verdict details to commit messages after review acceptance, push progress, and open a PR when the loop reaches stasis.

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Autonomous bug-hunt workflow for the Humans repository. Use when the user wants Codex to scan for real bugs, work in a dedicated git worktree branched from origin/main, commit each fix separately, push progress, and continue until diminishing returns.

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Run multiple Reforge-guided section-refactor lanes in parallel, each in its own worktree/branch off origin/main, with a score-blind adversarial review panel gating every commit, one draft PR per section. Use when the user wants to reduce Reforge surface/internal score across several sections at once via architecturally-correct deletions (dead surface, entity-leak removal, cross-section consumers moved onto the public contract) — not by relocation, parameter bags, or accessibility-dodging. Wraps the per-lane process in .codex/skills/humans-refactor. Triggers: 'refactor swarm', 'parallel section refactors', 'run reforge refactor on Users/Tickets/...', 'burn down surface score across sections'. Has an intensity dial (light|standard|deep) and a workflow|solo execution mode to trade token burn against autonomy per unit of output.

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Structured bug diagnosis and fixing workflow — reproduce, diagnose root cause, apply minimal fix, write regression test, and scan for similar patterns

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