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OpenClaw Skills & Use Case Index

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Skills tagged: molecular-dynamics

Browse skills that share this tag.

  • md-study - Study-level planning and workflow routing for MDClaw
    molecular-dynamicsstudy-planningworkflow-routingmdclaw

    ★ 16 · Updated 2026-09-14

    Translates scientific questions into MDClaw study plans, manages workflow routing, and structures molecular dynamics simulation campaigns.

    ⚙ Parse request parameters and execution mode⚙ Ground study design in literature⚙ Translate scientific questions into MD goals
  • lammps-workflows - LAMMPS Atomistic Simulation Workflows
    lammpsmolecular-dynamicsatomistic-simulationforce-field

    ★ 24 · Updated 2026-09-12

    Assists with LAMMPS atomistic simulation setup, directory checks, log analysis, recovery recommendations, and report generation.

    ⚙ Generate conservative input script skeletons⚙ Check LAMMPS run directory integrity⚙ Summarize LAMMPS simulation log files
  • molecular-dynamics-guide - Setup and analyze molecular dynamics simulations
    molecular-dynamicssimulationcomputational-chemistrybiophysics

    ★ 296 · Updated 2026-03-25

    Set up, run, and analyze molecular dynamics simulations using GROMACS and OpenMM

    ⚙ prepare simulation system⚙ process PDB structure⚙ generate topology