Raykarr commited on
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4138664
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1 Parent(s): c3e7177

Update app.py

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  1. app.py +5 -2
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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- This application allows you to generate novel molecular structures using a Variational Autoencoder (VAE) model trained on the QM9 dataset.
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- You can also predict molecular properties using pre-trained Graph Neural Network (GNN) models (GCN and GIN).
 
 
 
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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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+
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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