发现 tools scientific computing 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。
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...
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.
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...
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.
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...
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...
NumPy for matrix operations, FFT, linear algebra, and numerical computations in marine engineering
Python for engineering analysis, numerical computing, and scientific workflows using NumPy, SciPy, SymPy
First-principles approach to plugin design. Use when designing new plugins, evaluating features, or simplifying existing implementations.
Gemini Deep Research Agent - Multi-step research tasks
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...
Systematic deep research through discovery sources, vault, and web - refine query, collect papers, analyze, synthesize findings into comprehensive markdown report.
Defragment and clean research agent memory - consolidate paper info, organize research domains, remove redundancy from research tracking.
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...
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...
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.
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.
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...
Expert-level quantum computing, Qiskit, quantum algorithms, and quantum information
Expert-level biology, biotechnology, genetics, bioinformatics, and computational biology
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...
Common malware behaviors and analysis patterns
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
How to do research for benchmarking, financial and economic modeling, and other business analysis tasks.
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。