Update app.py
Browse files
app.py
CHANGED
@@ -417,8 +417,11 @@ def main():
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# Main Title and Description
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st.title("🧪 Molecular Generation and Analysis using VAE and GNN")
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st.markdown("""
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""")
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# Initialize session state variables
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# Main Title and Description
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st.title("🧪 Molecular Generation and Analysis using VAE and GNN")
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st.markdown("""
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SMILES (Simplified Molecular Input Line Entry System) is a widely-used notation that encodes chemical structures into short, linear strings of characters.
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This representation allows for the easy storage, transmission, and manipulation of molecular information in computational applications.
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This application allows you to generate novel molecular SMILES structures using a Variational Autoencoder (VAE) model trained on the QM9 dataset.
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You can also predict molecular properties using Graph Neural Network (GNN) models (GCN and GIN).
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""")
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# Initialize session state variables
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