1万 件 ・ 関連度順
BRENDA Enzyme DB SOAP/REST queries: kinetic parameters (Km, Vmax, kcat, Ki), EC classes, substrate specificity, inhibitors, cofactors, organism data. 80K+ enzymes, 7M+ values. Free academic registration. For metabolic modeling use cobrapy-metabolic-modeling; metabolites use hmdb-database.
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MATLAB/GNU Octave numerical computing: matrices, linear algebra, ODEs, signal processing, optimization, statistics, scientific visualization. MATLAB-syntax examples run on both. For Python use numpy/scipy; for statistical modeling use statsmodels.
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NEB-IRC activation energy pipeline for reaction barriers using GFN2-xTB and pysisyphus. Optimize reactant and product geometries, run CI-NEB path search, optimize the transition state with a Hessian, verify with IRC (one imaginary mode, endpoints matching reactant/product, single NEB maximum), and report the electronic and Gibbs barriers. Use when you need a transition state, reaction barrier, activation energy, minimum energy path, or intrinsic reaction coordinate. Covers reactant/product atom-ordering pitfalls, feasibility sizing for single-core runs, and thermochemistry corrections. Renders an IRC energy-profile plot and an animated TS imaginary-mode HTML viewer. For 2D reaction scheme drawing use rdkit-chemdraw-cdxml.
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Time-to-event modeling with scikit-survival: Cox PH (elastic net), Random Survival Forests, Boosting, SVMs for censored data. C-index, Brier, time-dependent AUC; Kaplan-Meier, Nelson-Aalen, competing risks. Pipeline/GridSearchCV compatible. Use statsmodels for frequentist, pymc for Bayesian, lifelines for parametric.
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3Dmol.js WebGL molecular visualization emitted as self-contained HTML. Render structures (PDB/SDF/XYZ/MOL2/cube) with stick, sphere, cartoon, line, and surface styles; animate trajectories with a frame-delay (interval, ms) control; and animate vibrational normal modes via vibrate() from per-atom dx/dy/dz displacements or from precomputed frames. Output standalone HTML that loads 3Dmol from a CDN, with optional play/pause and speed controls. Use for transition-state imaginary-mode animations, MD or reaction-path playback, docking poses, and orbital/density isosurfaces. For static 2D chemical structure drawings use rdkit-chemdraw-cdxml; for 2D statistical plots use matplotlib or plotly.
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Bayesian modeling with PyMC 5: priors, likelihood, NUTS/ADVI sampling, diagnostics (R-hat, ESS), LOO/WAIC comparison, prediction. Hierarchical, logistic, GP variants; predictive checks.
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Guided statistical analysis: test choice, assumption checks, effect sizes, power, APA reporting. Pick tests, verify assumptions, or format results for publication. Covers frequentist (t-test, ANOVA, chi-square, regression, correlation, survival, count, reliability) and Bayesian. Use statsmodels or pymc-bayesian-modeling to fit.
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Protein language models (ESM3, ESM C) for sequence generation, structure prediction, inverse folding, and embeddings. Design novel proteins, extract ML features, or fold sequences. Local GPU or EvolutionaryScale Forge API. Use AlphaFold for traditional folding; RDKit for small molecules.
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CLI modernization and hooks system enhancement for claude-flow v3. Implements interactive prompts, command decomposition, enhanced hooks integration, and intelligent workflow automation.
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Provides AWS CloudFormation patterns for Amazon Bedrock resources including agents, knowledge bases, data sources, guardrails, prompts, flows, and inference profiles. Use when creating Bedrock agents with action groups, implementing RAG with knowledge bases, configuring vector stores, setting up content moderation guardrails, managing prompts, orchestrating workflows with flows, and configuring inference profiles for model optimization.
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Provides Codex CLI delegation workflows for complex code generation and development tasks using OpenAI's GPT-5.3-codex models, including English prompt formulation, execution flags, sandbox modes, and safe result handling. Use when the user explicitly asks to use Codex for complex programming tasks such as code generation, refactoring, or architectural analysis. Triggers on "use codex", "delegate to codex", "run codex cli", "ask codex", "codex exec", "codex review".
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Provides implementation patterns for Clean Architecture, Domain-Driven Design (DDD), and Hexagonal Architecture (Ports & Adapters) in NestJS/TypeScript applications. Use when structuring complex backend systems, designing domain layers with entities/value objects/aggregates, implementing ports and adapters, creating use cases, or refactoring from anemic models to rich domain models with dependency inversion.
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Provides Amazon Bedrock patterns using AWS SDK for Java 2.x. Invokes foundation models (Claude, Llama, Titan), generates text and images, creates embeddings for RAG, streams real-time responses, and configures Spring Boot integration. Use when asking about Bedrock integration, Java SDK for AI models, AWS generative AI, Claude/Llama invocation, embeddings for RAG, or Spring Boot AI setup.
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When the user needs a security assessment — threat modeling, vulnerability review, auth flow audit, dependency scanning, or says "is this secure", "review for vulnerabilities", "threat model", "security audit", "pen test prep".
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Check BIM model consistency: naming conventions, parameter completeness, spatial relationships, and data integrity across model elements.
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Predict construction project costs using Machine Learning. Use Linear Regression, K-Nearest Neighbors, and Random Forest models on historical project data. Train, evaluate, and deploy cost prediction models.
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Design data models for construction projects. Create entity-relationship diagrams, define schemas, and generate database structures.
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4D scheduling and 5D cost modelling in OpenConstructionERP: build task schedules, link tasks to BIM elements and BOQ lines, roll up the cost model over time, and export Gantt/sequence views. Use for schedule-cost integration workflows.
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CAD/BIM takeoff in OpenConstructionERP: upload Revit/IFC/DWG/DGN models, browse elements, bulk-link them to BOQ lines, measure DWG drawings and PDF plans, and push quantities into the estimate. Use for any model-based quantification workflow.
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Builds estimates, quotes, and bids for trades and field-service businesses (HVAC, plumbing, electrical, roofing, landscaping, painting, cleaning, remodeling, general contracting, IT/AV installs). Turns a scope into line items with waste factors, burdened labor, materials, equipment, subs, permits, mobilization, contingency, overhead, profit, and tax, then writes a client-ready xlsx (live formulas) and PDF plus an internal cost sheet, with good/better/best options, add-ons, a payment schedule, exclusions, and assumptions. Use whenever someone asks for a quote, estimate, bid, proposal price, or job price, asks "how much should I charge for this job", wants to check a price or margin on a job, or is confused about markup vs margin. Computes deterministically with a script instead of mental math, because models routinely treat a 30% markup as a 30% margin and drop labor burden, waste, and mobilization.
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Wire a System One model (Jev, or an open reproduction like Von) into a product feature — routing, guardrails, scoring, classification. Use when replacing an LLM call that returns a label rather than prose, when adding a typed decision to an agent loop, or when deciding between the hosted Jev API and a local open model. Covers question design, the eval-set-first workflow, threshold calibration, confidence gates, and the traps measured on real data.
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Build and run a labelled eval set for a System One model (Jev, Von, or any typed-decision config), then sweep criteria wordings and thresholds against it. Use when a Jev/Von classification is wrong or unreliable, when choosing between the hosted API and a local open model, when tuning noul thresholds, or before shipping any typed-decision feature. Produces an accuracy-by-wording matrix and a calibrated threshold.
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Convert a light-only site or app to a real dark mode -- semantic token mapping, elevation-based surfaces, recalibrated shadows and imagery -- not a naive inversion. Handles Tailwind, CSS variables, and styled-components, plus the toggle, persistence, and no-flash boot.
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Use to test whether an AI agent, prompt, or skill actually works before or after it ships — build a small eval set, score runs, and catch regressions when the prompt or model changes. Trigger when the user asks whether a prompt is good, wants to compare models or versions, sees inconsistent agent output, or is about to put an agent in front of customers.
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