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wolf-adr
Architecture Decision Records index with searchable topics and phase-based organization (120+ ADRs from 50+ phases)
Skills IA tools computational chemistry
Découvrez les skills tools computational chemistry, comparez leurs dépôts et consultez leurs instructions.
Catégories: tools computational chemistry
tools computational chemistry Effacer les filtres
Explorer
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...
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.
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.
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...
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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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...
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...
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...
GitHub
ship-dynamics-6dof
6DOF ship dynamics, equations of motion, seakeeping analysis, and natural frequency calculations
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hydrodynamic-analysis
Hydrodynamic analysis using BEM, RAOs, added mass, damping, and wave loads for offshore structures
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first-principles-design
First-principles approach to plugin design. Use when designing new plugins, evaluating features, or simplifying existing implementations.
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deepresearch
Gemini Deep Research Agent - Multi-step research tasks
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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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research-memory-cleanup
Defragment and clean research agent memory - consolidate paper info, organize research domains, remove redundancy from research tracking.
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...
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...
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.
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.
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...
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.
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...
GitHub
qfai-verify
QFAI: Run quality gates and produce evidence
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
Le classement utilise les étoiles du dépôt GitHub indexé. Plusieurs skills peuvent partager ce nombre : ce n’est ni un nombre d’installations ni une note de qualité.