chemistry-agent

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"