# 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.

- Skill: `majiayu000/chemistry-agent` (Agent Skill, multi-file: 2 files)
- Install (CLI): `npx skillmds add majiayu000/chemistry-agent`
- Raw SKILL.md: https://api.skillmd.com/api/skills/majiayu000/chemistry-agent/raw
- Safety review: pending
- Works with: Claude Code, Claude.ai, OpenAI Codex
- Category: AI & ML
- Author: majiayu000 (https://skillmd.com/u/majiayu000)
- Updated: 2026-09-09
- Page: https://skillmd.com/skills/majiayu000/chemistry-agent

---


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# All Rights Reserved.
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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**:
```bash
python3 src/chemistry/main.py --target "Aspirin" --task "retrosynthesis"
```


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