II. Molecular Docking Workflow

III. Network Pharmacology Workflow with Visualization Functions

Option 1

1.1 A new Colab notebook (Run_docking_colab.ipynb) was created to run the docking commands in a cloud environment.

1.2 Generated a PowerShell script (commands_with_powershell.sp1) and

a Python script (run_docking.py) to automate and run the docking workflow.

Option 2

I. Preparation

Configuration

Required Python Libraries

Use this node to verify and install all required Python libraries as part of the workflow's initialization. Executing it at the start ensures a consistent runtime environment and prevents errors caused by missing dependencies.