ase
claudeAtomistic structure manipulation, file-format conversion, supercells, surfaces, and geometry optimization with ASE
1 skill
Classification, regression, clustering, dimensionality reduction, and pipelines with scikit-learn
Plugin scikit-learn from marketplace multiscale-materials-modelling-marketplace in WuGroup-XJTLU/cc-skills-ZhenghaoWu-Group. Commands read from the repo's manifest — 1 month ago.
scikit-learnUse when training classification or regression models, performing clustering or dimensionality reduction, tuning hyperparameters, or building preprocessing pipelines in Python.
Atomistic structure manipulation, file-format conversion, supercells, surfaces, and geometry optimization with ASE
1 skill
Bayesian optimization for expensive material and molecular properties using Ax and BoTorch
1 skill
Generate, validate, and debug CP2K input files for periodic DFT, AIMD, and geometry optimization
1 skill
Analyze MD trajectories: RDF, MSD, order parameters, structure factor, PMFT, Voronoi, and clustering
1 skill
Biomolecular MD setup, execution, and analysis with GROMACS
1 skill
Write, review, and debug LAMMPS input scripts with physics-aware validation
1 skill
AI-powered codebase understanding — analyze, visualize, and explain any project
9 skills · 10 agents · hooks
Test gap detection, coverage analysis, and automated test generation
3 skills · 1 command · 1 agent
Reliable automation, in-depth debugging, and performance analysis in Chrome using Chrome DevTools and Puppeteer
8 skills · 1 MCP server
Perform AI code review on Git diffs — supports workspace changes, branch ranges, and single commits with concurrent per-file analysis, codebase search, and deep context-aware review.
2 commands
Code intelligence powered by a knowledge graph. Provides execution flow tracing, blast radius analysis, and augmented search across your codebase.
12 skills · 1 MCP server · hooks
QuickBooks business insights and actions: financial health briefings across P&L, cash flow, balance sheet and A/R, industry benchmarking, payroll cost analysis, overdue-invoice reminders, estimate/invoice drafting from email, payroll onboarding and base-pay changes (with confirmation), and QuickBooks Capital lending guidance. Requires the Intuit QuickBooks connector.
10 skills
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