GitHub
data-science-tools
Documentation of available data science libraries (scipy, numpy, pandas, sklearn) and best practices for statistical analysis, regression modeling, and organizing analysis scripts. **CRITICAL:** All analysis sc...
Skills IA tools scientific computing
Découvrez les skills tools scientific computing, comparez leurs dépôts et consultez leurs instructions.
Catégories: tools scientific computing
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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.
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.
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
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
numpy-numerical-analysis
NumPy for matrix operations, FFT, linear algebra, and numerical computations in marine engineering
GitHub
python-scientific-computing
Python for engineering analysis, numerical computing, and scientific workflows using NumPy, SciPy, SymPy
GitHub
first-principles-design
First-principles approach to plugin design. Use when designing new plugins, evaluating features, or simplifying existing implementations.
GitHub
deepresearch
Gemini Deep Research Agent - Multi-step research tasks
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...
GitHub
research-deep-dive
Systematic deep research through discovery sources, vault, and web - refine query, collect papers, analyze, synthesize findings into comprehensive markdown report.
GitHub
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
quantum-expert
Expert-level quantum computing, Qiskit, quantum algorithms, and quantum information
GitHub
biological-expert
Expert-level biology, biotechnology, genetics, bioinformatics, and computational biology
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
malware-patterns
Common malware behaviors and analysis patterns
GitHub
pubmed-gene-drug-research
Gene, drug compound, and disease research using NCBI Extended databases. Triggers: 基因, gene, 藥物, drug, compound, PubChem, ClinVar, 變異, variant, 臨床意義
GitHub
research-business-analysis
How to do research for benchmarking, financial and economic modeling, and other business analysis tasks.
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.