packmol
Pass
Audited by Gen Agent Trust Hub on Mar 19, 2026
Risk Level: SAFECOMMAND_EXECUTIONEXTERNAL_DOWNLOADS
Full Analysis
- [SAFE]: The skill provides legitimate scientific tools and documentation for molecular dynamics preparation.
- [COMMAND_EXECUTION]: The script
scripts/solvate_helper.pycontains functionality to execute the localpackmolbinary viasubprocess.run. This is an intended feature for automating simulation setup. - [EXTERNAL_DOWNLOADS]: Documentation references the official Packmol website and standard installation via
pip install packmol. These are well-known and trusted sources for scientific software.
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