AutoDock Docking Engine Skill

SkillProductivity

AutoDock molecular docking skill for small molecule binding prediction and virtual screening

Instructions available. Your AI can read the instructions. Execution depends on the setup they require.

Account requirements not reviewed. Check the skill instructions before use; ahel provides instructions and does not run this skill.

Add ahel to your AI once: Claude, ChatGPT, Cursor, Claude Code or Codex. Then ask it to use this.

Then ask your AI: use the AutoDock Docking Engine Skill skill

What this skill tells your AI

The instructions your AI receives, as published by a5c-ai/babysitter in library/specializations/domains/science/bioinformatics/skills/autodock-docking-engine/SKILL.md and read by ahel’s review.

Purpose

Provide AutoDock molecular docking for small molecule binding prediction and virtual screening.

Capabilities

Receptor and ligand preparation
Grid generation and docking
Scoring function evaluation
Pose clustering and ranking
Batch virtual screening
Binding affinity prediction

Usage Guidelines

Prepare receptor and ligand structures properly
Define appropriate grid box dimensions
Validate docking protocol with known binders
Cluster poses by binding mode
Screen compound libraries efficiently
Document docking parameters

Dependencies

AutoDock Vina
GOLD
Glide
rDock

Process Integration

Molecular Docking and Virtual Screening (molecular-docking)
Protein Structure Prediction (protein-structure-prediction)

Signals

GitHub stars: 2k
Forks: 112
Last commit: Sep 2026

Advanced

Item type: skill
Key: autodock-docking-engine
Source: github.com/a5c-ai/babysitter

github.com/a5c-ai/babysitter