majiayu000 name: chemistry-agent description: Autonomous chemical synthesis & analysis keywords: - chemistry - synthesis - molecules - reaction - lab-automation measurable_outcome: Successfully plans valid synthesis routes for 90% of target small molecules. license: MIT metadata: author: Biomedical OS Team version: "1.0.0" compatibility: - system: Python 3.10+ allowed-tools: - run_shell_command - read_file - write_file
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"