GitHub
wolf-adr
Architecture Decision Records index with searchable topics and phase-based organization (120+ ADRs from 50+ phases)
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tools computational chemistry AI 技能
发现 tools computational chemistry 相关 Skills，比较来源仓库和用途，查看适合你工作流的技能说明。
分类目录: tools computational chemistry
tools computational chemistry 清除筛选
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GitHub
heme-onc-consultant
Heme/Onc consultant: Rapid clinical decision support for hematology and oncology with multi-level analysis. Provides immediate guidance followed by deep adversarial validation, tumor board simulation with multi...
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GitHub
wave-physics
Apply wave physics principles when working on simulation code. Use this skill when editing files in src/waves/, src/simulation/, or when the user mentions wave behavior, shoaling, breaking, or foam physics.
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GitHub
quantum-espresso
Run Quantum ESPRESSO DFT calculations. Use when asked to perform first-principles calculations, SCF, structural relaxation, band structure, DOS, phonons, or any ab initio quantum mechanical calculation.
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GitHub
lammps-simulation
Run LAMMPS molecular dynamics simulations. Use when asked to run MD simulations, energy minimization, equilibration, production runs, or calculate properties like diffusion, RDF, MSD. Supports both CPU and GPU...
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GitHub
data-analysis
Analyze simulation data and compute properties. Use when asked to parse LAMMPS/QE output, calculate diffusion coefficients, RDF, MSD, energies, or generate plots and visualizations.
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GitHub
materials-database
Query materials databases for structures and properties. Use when asked to get crystal structures, material properties, phase diagrams, or thermodynamic data. Primary source is Materials Project, with NIST, Pub...
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GitHub
resource-acquisition
Find and acquire computational science resources autonomously. Use when you need force field parameters, pseudopotentials, crystal structures, or any other scientific data. You are a researcher - you find what...
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GitHub
hl7-pam-parser
Parse and explain HL7 v2.5 IHE PAM (Patient Administration Management) messages. Identifies message type, extracts segments (MSH, EVN, PID, PV1, PV2), validates structure, and provides detailed explanations of...
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GitHub
ship-dynamics-6dof
6DOF ship dynamics, equations of motion, seakeeping analysis, and natural frequency calculations
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GitHub
hydrodynamic-analysis
Hydrodynamic analysis using BEM, RAOs, added mass, damping, and wave loads for offshore structures
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GitHub
first-principles-design
First-principles approach to plugin design. Use when designing new plugins, evaluating features, or simplifying existing implementations.
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GitHub
deepresearch
Gemini Deep Research Agent - Multi-step research tasks
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GitHub
research-strategy
Conduct systematic research with confidence scoring, source validation, and structured reporting for technology decisions and codebase analysis. Use for complex research tasks, technology selection, or best pra...
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GitHub
research-memory-cleanup
Defragment and clean research agent memory - consolidate paper info, organize research domains, remove redundancy from research tracking.
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GitHub
materials-database
Query materials databases for structures and properties. Use when asked to get crystal structures, material properties, phase diagrams, or thermodynamic data. Primary source is Materials Project, with NIST, Pub...
☆ 1查看技能
GitHub
lammps-simulation
Run LAMMPS molecular dynamics simulations. Use when asked to run MD simulations, energy minimization, equilibration, production runs, or calculate properties like diffusion, RDF, MSD. Supports both CPU and GPU...
☆ 1查看技能
GitHub
quantum-espresso
Run Quantum ESPRESSO DFT calculations. Use when asked to perform first-principles calculations, SCF, structural relaxation, band structure, DOS, phonons, or any ab initio quantum mechanical calculation.
☆ 1查看技能
GitHub
data-analysis
Analyze simulation data and compute properties. Use when asked to parse LAMMPS/QE output, calculate diffusion coefficients, RDF, MSD, energies, or generate plots and visualizations.
☆ 1查看技能
GitHub
resource-acquisition
Find and acquire computational science resources autonomously. Use when you need force field parameters, pseudopotentials, crystal structures, or any other scientific data. You are a researcher - you find what...
☆ 1查看技能
GitHub
model-evaluator
Guide for evaluating models using scenarios specified by the user. This skill should be used when users ask Claude to evaluate a model using a specific scenario.
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GitHub
matchms
Spectral similarity and compound identification for metabolomics. Use for comparing mass spectra, computing similarity scores (cosine, modified cosine), and identifying unknown compounds from spectral libraries...
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GitHub
qfai-verify
QFAI: Run quality gates and produce evidence
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GitHub
pubmed-pico-search
PICO-based clinical question search. Triggers: PICO, 臨床問題, A比B好嗎, treatment comparison, clinical question, 療效比較
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默认按已收录数据中的 GitHub 仓库 Stars 排序。Stars 属于来源仓库，同一仓库的多个技能可能共享相同数值；它反映仓库关注度，不代表单个技能的安装量或质量评分。