发现 documentation 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。
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...
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.
Deep analysis of documentation/articles with practical application guidance. Use when user asks to "analyze and apply", "digest and implement", "read and integrate", or provides a document they want analyzed fo...
Expert guide for creating Airalogy Protocols (AIMD), Assigners (Python logic), and Validation Models. Use this to design digital workflows and experiments.
Use when working with component similarity calculations - comparing MPNs, finding equivalent parts, implementing new similarity calculators, or understanding how component matching works.
Create, clean, and optimize datasets for LLM fine-tuning. Covers formats (Alpaca, ShareGPT, ChatML), synthetic data generation, quality assessment, and augmentation. Use when preparing data for training.
Conducts general research, summarizes information, compares options, provides insights
Spatial region-aware cell matching for CODEX/scRNAseq integration
Institutional-grade data cleaning, tick physics auditing, and gap reconstruction.
Skills for querying Gene Ontology annotation databases in DuckDB format. Use this for queries about GO annotations, genes, terms, evidence codes, or taxonomic relationships in GO-DB databases (db/*.ddb files)....
Randomly select items from lists using various algorithms for fair and unbiased selection
Digital forensics analysis and investigation tools for system security audits, file analysis, and evidence preservation
Deep iterative research using progressive flow psychology (diverge-analyze-converge-execute) with parallel agents, skeptical analysis, and multi-perspective synthesis. Use for thorough topic exploration, decisi...
Systematic error debugging with analysis, solution discovery, and verification
Statistical analysis toolkit for hypothesis testing, regression, correlation, Bayesian statistics, power analysis, and APA reporting. USE when conducting academic research, analyzing experimental data, testing...
Routes research and investigation tasks. Triggers on research, investigate, deep-dive, explore, understand, learn, study, compare, thorough, comprehensive.
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。