md-vib-spectra-simulation
Pass
Audited by Gen Agent Trust Hub on Mar 30, 2026
Risk Level: SAFE
Full Analysis
- [SAFE]: The skill performs legitimate scientific computations using well-known libraries such as mlatom, rdkit, and numpy. All file operations are restricted to user-provided input paths and a temporary output directory (/tmp/chemclaw).
- [COMMAND_EXECUTION]: The script identifies the location of the 'xtb' binary on the system to perform molecular dynamics simulations. This is an expected behavior for the stated purpose of the skill and relies on the executable being pre-installed by the user.
- [EXTERNAL_DOWNLOADS]: The documentation suggests installing dependencies from trusted sources like the Python Package Index (PyPI) and conda-forge.
Audit Metadata