The Agent Skills Directory

[COMMAND_EXECUTION]: The script scripts/calculate_thermal_conductivity.py performs scientific calculations by invoking functions from the matcalc and ase libraries. It handles local file operations, such as reading structural data and writing JSON/YAML result files to user-specified directories.
[EXTERNAL_DOWNLOADS]: The skill documentation mentions several external machine learning potential wrappers including MACE, MatGL, and FAIRCHEM. These are standard tools in the materials science domain and are integrated through internal project utilities without signs of malicious remote code execution.
[SAFE]: The skill does not contain any malicious patterns such as prompt injection, credential exfiltration, or obfuscated code. All operations and instructions are consistent with the stated purpose of calculating material properties.

mat-lattice-thermal-conductivity