chemistry-agent

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---

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

1. Retrosynthesis: Planning backward from target to starting materials.
2. Property Prediction: Estimating physicochemical properties.
3. 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"

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