「log」の検索結果

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.

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Runs cis-pQTL Mendelian randomization for drug-target validation using UKB-PPP (Olink), deCODE (SomaScan), Fenland, INTERVAL, ARIC, and FinnGen-PPP proteomes plus colocalization triangulation, phenome-wide on-target adverse-effect scans, cross-platform Olink/SomaScan replication, and PAV (protein-altering variant) sensitivity. Use when nominating or de-risking a drug target from plasma-proteome GWAS, mimicking pharmacological inhibition via cis-pQTL instruments, separating shared-causal from LD-confounded signal under the Schmidt 2020 cis-MR framework, screening on-target adverse phenotypes pheWAS-style, or producing publication-grade STROBE-MR plus PP.H4 evidence for a target gene.

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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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Segments the genome into chromatin states from combinatorial histone modification and chromatin factor ChIP-seq data. Uses ChromHMM (multivariate HMM on binarized signal, v1.27), Segway (Dynamic Bayesian Network on continuous signal), EpiSegMix (flexible-distribution HMM with duration modeling, 2024), EpiLogos (multi-biosample visualization), IDEAS (cell-type-aware joint), and full-stack ChromHMM (Vu Ernst 2022) for cross-cell-type segmentations. Handles state-count selection (15 vs 18 vs 25 states), binarization choice, OverlapEnrichment / NeighborhoodEnrichment downstream analysis, and cross-biosample integration. Use when learning chromatin states from a histone mark panel, characterizing learned states by genomic feature enrichment, or comparing chromatin landscapes across cell types.

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Performs molecular similarity searching using Tanimoto, Tversky, Dice, and cosine coefficients on bit/count fingerprints with explicit choice rules for symmetric vs asymmetric measures, scaffold-hopping vs lead-optimization regimes, activity-cliff diagnosis, and large-library nearest-neighbor methods (BulkTanimoto, Annoy MHFP6, USRCAT). Use when ranking compounds by structural resemblance to a query, clustering libraries, finding analogs, or diagnosing activity cliffs.

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Trim multiple sequence alignments using ClipKIT, trimAl, BMGE, Divvier, or HMMcleaner with mode selection guidance per downstream goal. Use when removing unreliable columns or contaminating residues before phylogenetic inference, HMM building, or selection analysis.

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Read, write, and convert multiple sequence alignment files using Biopython Bio.AlignIO. Supports Clustal, PHYLIP, Stockholm, FASTA, Nexus, and other alignment formats for phylogenetics and conservation analysis. Use when reading, writing, or converting alignment file formats.

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Align protein structures using Foldseek 3Di, TM-align, US-align, DALI, or Foldmason for structural MSA. Predict, score, and superpose backbone coordinates when sequence identity is below the twilight zone or remote-homology detection is required. Use when sequence MSA fails (<25% identity), when the dark proteome is the target, when AlphaFoldDB / ESM Atlas search is needed, or when structural superposition is the goal.

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Identify differentially accessible chromatin regions across conditions using DiffBind, csaw, DESeq2, or edgeR. Use when comparing ATAC-seq accessibility between treatment groups, choosing between consensus-peak vs sliding-window approaches, picking the correct normalization (full library vs reads-in-peaks), correcting batch with SVA/RUVseq, or interpreting log2FC and FDR thresholds in a chromatin context.

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Installs 425 bioinformatics skills covering sequence analysis, RNA-seq, single-cell, variant calling, metagenomics, structural biology, and 56 more categories. Use when setting up bioinformatics capabilities or when a bioinformatics task requires specialized skills not yet installed.

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Provider account and authenticator setup through Matrx Vault. Use when creating a service account, saving its login, enrolling 2FA, or verifying agent sign-in with Vault credentials.

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Provides fault tolerance patterns for Spring Boot 3.x using Resilience4j. Use when implementing circuit breakers, handling service failures, adding retry logic with exponential backoff, configuring rate limiters, or protecting services from cascading failures. Generates circuit breaker, retry, rate limiter, bulkhead, time limiter, and fallback implementations. Validates resilience configurations through Actuator endpoints.

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Spring Boot architecture patterns, REST API design, layered services, data access, caching, async processing, and logging. Use for Java Spring Boot backend work.

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Map owned assets, attack surface, and inventory for systems the requester is authorized to assess. Use for asset discovery, service catalogs, and exposure reviews — never unauthorized scanning.

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Harden IAM, storage, keys, and org policies in cloud accounts you administer. Focus on identity, logging, and public-exposure controls.

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Django ORM patterns for multi-tenant POS projects: efficient queries, bulk operations, transactions, and multi-schema upload paths. Trigger: When writing queryset logic, model saves, or DB-touching service code.

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Use when generating or modifying any Spring Boot class — controllers, services, repositories, DTOs, mappers, or configuration. Enforces strict layer separation and prevents business logic from leaking across boundaries.

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Security review checklist for Convex functions, auth logic, public queries, admin routes, webhooks, uploads, and AI-generated code. Use when reviewing code that touches user data, PII, or access control.

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Writing style guide for technical content, social media, blog posts, READMEs, git commits, and developer documentation. Optimized to avoid AI detection patterns. Use when writing any content beyond code.

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Build reactive, type-safe, production-grade backends. ALWAYS use this skill when the user asks to build, plan, design, or implement backend features, APIs, data models, server logic, database schemas, web apps, full stack apps, or mobile apps. This includes planning and architecture discussions.

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Sets up Convex auth, identity mapping, and access control. Use for login, auth providers, users tables, protected functions, or roles in a Convex app.

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Reflection-first problem solving methodology for Convex development. Use before implementing any solution to ensure proper root cause analysis, 98% code confidence, and minimal change scope.

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Combine React's official "You Might Not Need an Effect" guidance with this project's stricter no direct useEffect stance. Use when writing, reviewing, or refactoring React components that might reach for useEffect, derived state, event relays, reset logic, subscriptions, or client fetching.

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Build and sharpen a project's domain model. Use when discussing codebase terminology, writing or editing a GLOSSARY.md, or recording or editing an ADR.

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