diffdock
Pass
Audited by Gen Agent Trust Hub on Jun 26, 2026
Risk Level: SAFE
Full Analysis
- [COMMAND_EXECUTION]: The skill provides various shell commands to run molecular docking inference and process chemical data. These commands follow standard scientific computing practices and do not exhibit signs of command injection or malicious intent.
- [EXTERNAL_DOWNLOADS]: The instructions involve cloning the official DiffDock repository from GitHub and downloading pre-trained model checkpoints. These downloads are directed toward legitimate research sources necessary for the tool's operation.
- [SAFE]: The provided environment checker script uses dynamic importing to verify the presence and versions of required libraries. This functionality is restricted to a hardcoded list of standard packages (such as PyTorch and RDKit) and is used exclusively for diagnostic purposes.
Audit Metadata