SkillMD SkillMD
light-dark-mode
Profile My skills Saved Collections Preferences Submit a skill

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
More results
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
stieges
bpmn-generator
Generates OMG-compliant BPMN 2.0 XML and SVG diagrams from natural language process descriptions, with validation, automatic layout, and optional process optimization advisories.
32 · 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