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Charleshahn

Reusable agent skills published under this GitHub owner—sorted by stars with aggregate signals below.

3 skills0 GitHub stars0 weekly installsGitHub

Strongest repo by stars

charleshahn/duivyagent

3 skills · 0 stars total

Open repo

3 skills

protein_analysis

Analytics

This skill guides post-simulation protein MD analysis, applying PBC corrections, DCCM, RDCM, PCA, and FEL to derive actionable insights.

DataPythonResearchPython

duivytools

Analytics

This skill helps you visualize GROMACS xvg/xpm data, generate mdp templates, and manage index files for streamlined MD analysis.

CliDataPythonPython

forcefield_selection

This skill recommends force fields and water models for diverse molecular systems in MD simulations, guiding users to optimal parameter choices and validation

DocsPythonResearchPython

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