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Results for “openmm”

4 skills
k-dense-ai
molecular-dynamics
Run and analyze molecular dynamics simulations with OpenMM and MDAnalysis. Set up protein/small molecule systems, define force fields, run energy minimization and production MD, analyze trajectories (RMSD, RMSF, contact maps, free energy surfaces).
30.2k · bundle
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k-dense-ai
open-notebook
Self-host an open-source research notebook with AI-powered note generation, multi-speaker podcast creation, and context-aware document chat, supporting 16+ AI providers.
30.2k · bundle
k-dense-ai
pyopenms
Analyze proteomics and metabolomics mass spectrometry data with PyOpenMS: read/write MS file formats, process spectra, detect and quantify features, identify peptides and proteins, and run end-to-end LC-MS/MS pipelines using ready-to-run scripts.
30.2k · bundle
scoheart
perplexity-search
Performs AI-powered web searches with real-time information using Perplexity models via LiteLLM and OpenRouter, providing grounded answers with source citations.
2 · bundle