molecular-dynamics
Pass
Audited by Gen Agent Trust Hub on Apr 9, 2026
Risk Level: SAFE
Full Analysis
- [SAFE]: The skill provides instructions and Python code snippets for legitimate scientific workflows in molecular dynamics.
- [COMMAND_EXECUTION]: The skill includes instructions for installing standard scientific packages (openmm, mdanalysis, nglview) using conda or pip, which is expected for its stated purpose.
- [DATA_EXPOSURE]: The skill performs standard file operations, such as reading PDB and trajectory files and writing results (minimized structures, logs, plots). All file paths and operations are consistent with molecular dynamics simulations and analysis.
- [EXTERNAL_DOWNLOADS]: The skill references official documentation and resources for OpenMM, MDAnalysis, GROMACS, and NAMD, all of which are reputable scientific projects. No suspicious or unverified remote code execution patterns were found.
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