chem-bond-dissociation
Pass
Audited by Gen Agent Trust Hub on Jun 19, 2026
Risk Level: SAFE
Full Analysis
- [SAFE]: The skill is a legitimate scientific tool designed for chemical bond analysis. It follows standard software engineering practices for simulation tools.
- [COMMAND_EXECUTION]: The script
scripts/calculate_bde.pyutilizesargparsefor command-line inputs and does not invoke shell commands or execute arbitrary user-provided code strings. - [DATA_EXFILTRATION]: File system interactions are limited to reading molecular structure files (.sdf, .mol2) and writing simulation results (XYZ, JSON) to a user-defined output directory. No network operations were found in the analyzed scripts.
- [EXTERNAL_DOWNLOADS]: While the skill utilizes foundation models like MACE and FairChem, the provided code does not contain network downloaders or remote script execution. Model loading is handled through internal library wrappers.
- [PROMPT_INJECTION]: The
SKILL.mdfile contains only technical instructions and documentation; it does not contain any patterns designed to override agent behavior or safety filters.
Audit Metadata