The Agent Skills Directory

[SAFE]: The skill provides instructions for installing and using established scientific software such as OpenMM, MDAnalysis, and the OpenFF toolkit. All installation commands target official package registries including PyPI and Conda-Forge.
[SAFE]: The Python code snippets for simulation setup, energy minimization, and trajectory analysis follow standard research practices. There is no evidence of obfuscation, hardcoded credentials, or unauthorized network operations.
[SAFE]: While the skill involves reading and writing molecular data files (e.g., PDB and DCD formats), these operations are restricted to the local file system and are integral to the stated purpose of the skill. No exfiltration patterns or dangerous command injections were identified.

molecular-dynamics