molecular-dynamics
Pass
Audited by Gen Agent Trust Hub on Mar 31, 2026
Risk Level: SAFE
Full Analysis
- [SAFE]: The skill provides links to official documentation and repositories for established scientific software including OpenMM, MDAnalysis, GROMACS, and NAMD. These are well-known and reputable resources within the computational chemistry community.
- [EXTERNAL_DOWNLOADS]: Includes instructions for installing well-known scientific Python packages such as openmm, mdanalysis, nglview, pdbfixer, and openff-toolkit via standard package managers. These dependencies are consistent with the skill's stated purpose.
- [COMMAND_EXECUTION]: Provides standard shell commands for the installation of scientific dependencies, which is expected behavior for setting up the required environment.
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