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documentation scientific computing AI Skills

Discover documentation scientific computing skills, compare source repositories and read the instructions for each workflow.

Categories: documentation scientific computing

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GitHub

materials-database

fl-sean03

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

fl-sean03

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

fl-sean03

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

fl-sean03

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

personamanagmentlayer

Expert-level quantum computing, Qiskit, quantum algorithms, and quantum information

GitHub

biological-expert

personamanagmentlayer

Expert-level biology, biotechnology, genetics, bioinformatics, and computational biology

GitHub

matchms

MAF2414

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

pubmed-gene-drug-research

u9401066

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

expert-analysis

NicktheQuickFTW

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...

GitHub

airalogy-protocol

airalogy

Expert guide for creating Airalogy Protocols (AIMD), Assigners (Python logic), and Validation Models. Use this to design digital workflows and experiments.

GitHub

similarity

Cantara

Use when working with component similarity calculations - comparing MPNs, finding equivalent parts, implementing new similarity calculators, or understanding how component matching works.

GitHub

dataset-engineering

ScientiaCapital

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.

GitHub

go-db-query

cmungall

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)....

GitHub

digital-forensics

ljchg12-hue

Digital forensics analysis and investigation tools for system security audits, file analysis, and evidence preservation

GitHub

brainstorm-skills

twikus

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...

GitHub

debug

twikus

Systematic error debugging with analysis, solution discovery, and verification

GitHub

analyzing-data

Git-Fg

Statistical analysis toolkit for hypothesis testing, regression, correlation, Bayesian statistics, power analysis, and APA reporting. USE when conducting academic research, analyzing experimental data, testing...

GitHub

research-router

Zpankz

Routes research and investigation tasks. Triggers on research, investigate, deep-dive, explore, understand, learn, study, compare, thorough, comprehensive.

The default order uses GitHub repository stars from our indexed data. Stars belong to the source repository and may be shared by multiple skills. They indicate repository interest, not skill installs or an independent quality score.

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