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README.md
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This web app uses a trained Graph Neural Network (GNN) to predict HOMO–LUMO energy gaps from molecular SMILES strings. Built with [Streamlit](https://streamlit.io), it enables fast single or batch predictions with visualization.
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---
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title: 🧪 HOMO‑LUMO Gap Predictor
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emoji: 🧬
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colorFrom: indigo
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sdk: docker
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app_file: app.py
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pinned: false
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This web app uses a trained Graph Neural Network (GNN) to predict HOMO–LUMO energy gaps from molecular SMILES strings. Built with [Streamlit](https://streamlit.io), it enables fast single or batch predictions with visualization.
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