alterlab-diffdock
Pass
Audited by Gen Agent Trust Hub on Apr 12, 2026
Risk Level: SAFE
Full Analysis
- [EXTERNAL_DOWNLOADS]: The skill provides instructions to download source code from the official research repository (
github.com/gcorso/DiffDock.git) and pull a containerized environment from Docker Hub (rbgcsail/diffdock). These are established sources for the scientific software described. - [COMMAND_EXECUTION]: The documentation includes various shell commands for running model inference (
python -m inference), validating environments (scripts/setup_check.py), and analyzing results. These commands are necessary for the skill's primary function of structural drug design. - [SAFE]: The
scripts/setup_check.pyscript utilizes__import__to dynamically verify that hardcoded dependencies like PyTorch, RDKit, and Biopython are correctly installed. This is a common and safe implementation for pre-flight environment checks.
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