The Agent Skills Directory

[SAFE]: The skill provides legitimate instructions for installing and running the DiffDock molecular docking tool. Installation steps point to the official GitHub repository and Docker images for the project.
[COMMAND_EXECUTION]: The skill uses the Bash tool to execute Python scripts for setup verification, data preparation, and running the DiffDock inference module. These operations are standard for scientific computing workflows and do not involve suspicious command patterns.
[DYNAMIC_EXECUTION]: The file scripts/setup_check.py uses __import__ to programmatically verify the presence of required libraries such as torch, rdkit, and numpy. This is a benign implementation used solely for environment validation against a hardcoded list of expected dependencies.

diffdock