bg-szy Chemistry Agent
The Chemistry Agent is a specialized module for autonomous chemical reasoning, synthesis planning, and property prediction. It integrates with computational chemistry tools and potentially lab automation hardware.
When to Use This Skill
- When you need to design a synthesis route for a molecule.
- When predicting chemical properties (solubility, toxicity).
- When analyzing reaction mechanisms.
Core Capabilities
- Retrosynthesis: Planning backward from target to starting materials.
- Property Prediction: Estimating physicochemical properties.
- Reaction Optimization: Suggesting optimal conditions.
Example Usage
User: "Plan a synthesis route for Aspirin."
Agent Action:
python3 src/chemistry/main.py --target "Aspirin" --task "retrosynthesis"