diffdock
Pass
Audited by Gen Agent Trust Hub on Sep 15, 2026
Risk Level: SAFECOMMAND_EXECUTIONEXTERNAL_DOWNLOADSDYNAMIC_EXECUTION
Full Analysis
- [COMMAND_EXECUTION]: The skill provides numerous command-line instructions for running the DiffDock inference engine, including batch processing and result analysis scripts. These commands are essential for the primary purpose of the skill.
- [EXTERNAL_DOWNLOADS]: The skill references the official DiffDock GitHub repository (github.com/gcorso/DiffDock) and the official Docker image (rbgcsail/diffdock). These are well-known resources from the Regina Barzilay Group at MIT.
- [DYNAMIC_EXECUTION]: The
scripts/setup_check.pyscript uses the__import__()function to verify the presence of required Python packages. This is a standard and benign use of dynamic importing for environment validation tasks. - [SAFE]: All scientific data processing, such as SMILES validation in
scripts/prepare_batch_csv.pyand confidence score parsing inscripts/analyze_results.py, follows best practices and does not exhibit malicious patterns.
Audit Metadata