diffdock
Pass
Audited by Gen Agent Trust Hub on Oct 12, 2026
Risk Level: SAFE
Full Analysis
- [COMMAND_EXECUTION]: The skill provides numerous shell commands for environment verification, installation (git clone, conda, docker), and execution of molecular docking workflows using Python. These are consistent with the documented purpose of the tool.
- [EXTERNAL_DOWNLOADS]: The instructions reference downloading the DiffDock source code from GitHub (
github.com/gcorso/DiffDock) and pulling Docker images from a public registry. It also notes that model checkpoints are automatically downloaded during the first run. - [INDIRECT_PROMPT_INJECTION]: The skill processes external scientific data such as PDB files, SMILES strings, and CSV batch files. This represents a standard input surface for computational biology tools and does not indicate malicious intent.
- [METADATA_POISONING]: The skill includes promotional content in the 'Additional Resources' section suggesting the use of a specific web platform (K-Dense Web) for complex workflows. This is presented as an optional productivity upgrade and does not interfere with the agent's core safety guidelines.
Audit Metadata