ChemVision AI 化学家

化学数据查询服务 — PubChem + OPSIN 真实数据库，分子结构图 + 化学方程式渲染。

When to Use

• Chemical compound queries (name → structure, SMILES → info)
• Safety / GHS hazard information
• Chemical reaction prediction (Agent answers, tools provide data)
• Molecular structure image rendering

Step 0: Ensure Service Is Running

cd {this_skill_dir} && python manage.py status

Port note: Default port is 8899. If occupied, the service auto-selects the next free port (8900, 8901...). Run python manage.py status to see the actual port. The service uses CHEMVISION_PORT env var (not SERVER_PORT) to avoid conflicts with the Agent host process.

If not running: python manage.py start To stop: python manage.py stop

Step 1: Call Tools

POST to http://localhost:8899/api/tools/call.

name_to_structure

curl -s -X POST http://localhost:8899/api/tools/call \
  -H "Content-Type: application/json" \
  -d '{"tool_name":"name_to_structure","arguments":{"name":"苯甲酸"}}'

Returns SMILES, formula, weight, svg_url.

Important: Tools only accept English names. If the user asks in Chinese, Agent must translate to English first, then call the tool. Example: "苯甲酸" → "benzoic acid".

inspect_smiles

curl -s -X POST http://localhost:8899/api/tools/call \
  -H "Content-Type: application/json" \
  -d '{"tool_name":"inspect_smiles","arguments":{"smiles":"CCO"}}'

safety_info

curl -s -X POST http://localhost:8899/api/tools/call \
  -H "Content-Type: application/json" \
  -d '{"tool_name":"safety_info","arguments":{"query":"benzene"}}'

predict_reaction

Queries chemical data for reactants. Agent should answer the reaction itself.

curl -s -X POST http://localhost:8899/api/tools/call \
  -H "Content-Type: application/json" \
  -d '{"tool_name":"predict_reaction","arguments":{"reactants":"acetic acid + ethanol"}}'

Step 2: Show Results

Molecular structure

1. Open svg_url from tool result in browser
2. Screenshot → save file
3. Send to user: send_file_to_user(file_path="xxx.png", caption="分子结构图")

Chemical equation

After answering a reaction, render the equation:

1. Open in browser: http://localhost:8899/api/formula/{equation}
2. Screenshot → save file
3. Send to user: send_file_to_user(file_path="xxx.png", caption="化学方程式")

Equation format rules:

• Subscripts automatic: H2O, CH3COOH, Ca(OH)2
• Superscripts: Fe^{2+}, SO4^{2-}
• Arrows: -> (one way), <=> (equilibrium)
• Conditions: [加热], [催化剂] (shown above/below arrow)
• Example: CH3COOH+C2H5OH<=>[浓硫酸][加热]CH3COOC2H5+H2O

Fallback

If predict_reaction fails, the Agent answers directly using its own chemistry knowledge, then renders the equation via /api/formula/.

Notes

• Pure data tools — NO LLM dependency, ALL reasoning by Agent
• All data from PubChem/OPSIN real databases
• Local only — chemistry data never leaves the machine
• Swagger UI: http://localhost:8899/docs