1.5万 件 ・ 関連度順
概要と使いどころ
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.
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Tests associations between categorical variables in clinical data using chi-square, Fisher's exact, Boschloo, Cochran-Mantel-Haenszel, and modern McNemar variants with calibrated confidence intervals (Wilson, Newcombe, Miettinen-Nurminen). Use when analyzing categorical outcomes, paired binary endpoints, or testing treatment-outcome independence in confirmatory or exploratory clinical trials.
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Searches molecular libraries for substructure matches using SMARTS patterns with explicit handling of recursive SMARTS, ring membership, aromaticity dialect, vector binding, atom map indices, and reactive/PAINS/REOS/Brenk/Aldridge filter catalogs. Use when filtering compounds by pharmacophore features, functional groups, scaffold matches, or screening for assay-interference / structural alerts.
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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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Estimate bivariate genetic correlation (rg) between traits from GWAS summary statistics or individual-level genotypes using cross-trait LDSC, HDL, LAVA, rho-HESS, GREML-bivariate, Popcorn, and HDL-L. Use when quantifying shared genetic architecture between two traits, screening MR validity before causal inference, distinguishing global from locus-level rg, estimating trans-ancestry rg, separating partial from full causation via LCV gcp, or producing a STROBE-MR-compliant cross-trait sensitivity battery. Cross-trait LDSC intercept absorbs sample overlap and is NOT a bias; HDL is biased under sample overlap above ~5%. High rg between exposure and outcome motivates CHP-aware MR sensitivity (CAUSE, LHC-MR).
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Performs retrosynthetic planning using AiZynthFinder (MCTS, template-based), Chemformer (template-free transformer), ASKCOS, and emerging RetroSynFormer with explicit handling of route scoring, building-block availability (eMolecules, Enamine, Mcule), forward prediction validation (Molecular Transformer), and disconnection-aware multi-objective search (MO-MCTS). Use when assessing synthetic feasibility of generated or selected molecules, planning multi-step syntheses, building synthesis-aware design pipelines, or screening libraries for retro-route feasibility.
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Performs structure-based virtual screening using AutoDock Vina, SMINA, GNINA (CNN scoring), and DiffDock-L hybrid workflows with explicit choice rules across rigid vs flexible docking, cross-docking vs self-docking, binding-site detection (P2Rank, fpocket), receptor preparation (PDB2PQR, PROPKA), ligand preparation (meeko, OpenBabel), and ultralarge-library screening (ZINC22, Enamine REAL). Use when screening chemical libraries against a protein target to find candidate binders, ranking docking poses, or selecting a docking workflow for a specific scenario.
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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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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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Provides expert knowledge of Spring Boot conventions, Kotlin idioms, and MVC patterns for backend API development.
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Provides expert knowledge of the testing pyramid, test design principles, MockK patterns, and integration testing conventions for Spring Boot + Kotlin projects.
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。
Provides expert knowledge of the testing pyramid, test design principles, MockK patterns, and integration testing conventions for Spring Boot + Kotlin projects.
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。
Map the repository and recommend the next CodeConductor slash command. Read-only.
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Re-explain the last deliverable in Task Card vocabulary when it did not land.
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Plan and report authorized vulnerability assessments on owned systems. Prioritize evidence, severity, and remediations. Do not deliver exploit payloads.
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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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Provides expert knowledge of JPA entity design, relationship mapping, Flyway migrations, and PostgreSQL-specific optimizations.
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Design and coordinate multi-agent systems where specialized agents work together to solve complex problems. Covers agent communication, task delegation, workflow orchestration, and result aggregation. Use when building coordinated agent teams, complex workflows, or systems requiring specialized expertise across domains.
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Helps users discover and install agent skills when they ask questions like "how do I do X", "find a skill for X", "is there a skill that can...", or express interest in extending capabilities. This skill should be used when the user is looking for functionality that might exist as an installable skill.
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Provides expert knowledge for building Next.js 15+ applications with the App Router, TypeScript, Server Components, Server Actions, and TanStack Query.
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Review and harden web apps (authz, XSS, CSRF, SSRF, injection) on code you maintain. Complements the OWASP `security` skill. No exploit kits.
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Provides expert knowledge for designing, implementing, and managing REST API versioning strategies with deprecation workflows.
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Provides expert knowledge for implementing and reviewing application security following OWASP Top 10 (2021), with stack-specific patterns for Spring Boot, Django, Next.js, and Astro.
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。