chem-sorption-widom
Pass
Audited by Gen Agent Trust Hub on Jun 19, 2026
Risk Level: SAFECOMMAND_EXECUTION
Full Analysis
- [SAFE]: The skill's primary purpose is performing thermodynamic property predictions in materials science, and its implementation follows standard scientific computing practices without security risks.
- [COMMAND_EXECUTION]: The skill executes scientific Python-based simulations using the argparse library to process parameters for chemical property predictions and utilizes project-local path manipulation to load interatomic potential wrappers.
- [SAFE]: The skill processes scientific structure files (CIF/XYZ) through robust parsing libraries (ASE). Ingestion points: Structure input files in scripts/run_widom.py. Capability inventory: Scientific calculations in sample_compute_energies.py and local file writing of results in widom_common.py. Sanitization: Handled by ASE/Pymatgen parsers. Boundary markers: Not applicable as data is not used for prompt generation.
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