Streamlit Web Interface

Note

ChemGraph includes a Streamlit web UI for chat-driven chemistry workflows, structure visualization, and report viewing.

Run the app

Set provider keys as needed:

export OPENAI_API_KEY="..."
export ANTHROPIC_API_KEY="..."
export GEMINI_API_KEY="..."

Launch:

streamlit run src/ui/app.py

Then open http://localhost:8501.

Features

• Chat interface for single-agent and multi-agent workflows
• Model selection across supported providers
• 3D molecular visualization with stmol/py3Dmol
• Embedded report display and structure export
• Config editor for config.toml

Troubleshooting

• If 3D rendering is unavailable, install stmol: pip install stmol
• If model calls fail, verify API keys and endpoint settings in config.toml.
• If Argo is used, ensure api.openai.base_url and optional api.openai.argo_user are configured.