Jongdeok/qml-molecular-demo-1

QML Molecular Demo

Streamlit demo for comparing classical graph convolution models and quantum-inspired GNN architecture notes for molecular property prediction.

The app uses pretrained checkpoints from runs/models/ and experiment logs from logs/. It runs inference and visualization only; it does not train models during web requests.

Local Run

streamlit run streamlit_app/app.py

HuggingFace Spaces

Create a new Space with Docker SDK, then push this repository. The Dockerfile starts Streamlit on port 8501, matching the app_port setting above.