The Agent Skills Directory

[SAFE]: The skill uses established scientific Python libraries including openmm, openff-toolkit, rdkit, and parmed to process PDB and SDF files for molecular simulation setup.
[SAFE]: All operations are performed locally on the filesystem using paths provided via command-line arguments. No network requests, data exfiltration attempts, or obfuscated code blocks were detected.
[SAFE]: The implementation follows standard practices for scientific reproducibility by logging build parameters and provenance information to a structured JSON file.

drug-complex-system-builder