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Update app.py
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app.py
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@@ -165,6 +165,20 @@ def function(model_name: str, num_molecules: int, seed_num: int):
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with gr.Blocks(theme=gr.themes.Ocean()) as demo:
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with gr.Row():
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with gr.Column(scale=1):
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gr.Markdown("# DrugGEN: Target Centric De Novo Design of Drug Candidate Molecules with Graph Generative Deep Adversarial Networks")
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@@ -186,8 +200,6 @@ with gr.Blocks(theme=gr.themes.Ocean()) as demo:
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with gr.Accordion("About DrugGEN Models", open=False):
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gr.Markdown("""
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## Model Variations
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### DrugGEN-AKT1
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This model is designed to generate molecules targeting the human AKT1 protein (UniProt ID: P31749).
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@@ -269,7 +281,7 @@ For more details, see our [paper on arXiv](https://arxiv.org/abs/2302.07868).
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label="Download All Generated Molecules (SMILES format)",
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)
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with gr.
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gr.Markdown("### Performance Metrics")
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with gr.Row():
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@@ -320,7 +332,5 @@ For more details, see our [paper on arXiv](https://arxiv.org/abs/2302.07868).
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],
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api_name="inference"
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)
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demo.queue()
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demo.launch()
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with gr.Blocks(theme=gr.themes.Ocean()) as demo:
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# Add custom CSS for styling
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gr.HTML("""
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<style>
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#metrics-container {
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border: 1px solid rgba(128, 128, 128, 0.3);
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border-radius: 8px;
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padding: 15px;
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margin-top: 15px;
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margin-bottom: 15px;
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background-color: rgba(255, 255, 255, 0.05);
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}
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</style>
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""")
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with gr.Row():
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with gr.Column(scale=1):
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gr.Markdown("# DrugGEN: Target Centric De Novo Design of Drug Candidate Molecules with Graph Generative Deep Adversarial Networks")
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with gr.Accordion("About DrugGEN Models", open=False):
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gr.Markdown("""
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### DrugGEN-AKT1
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This model is designed to generate molecules targeting the human AKT1 protein (UniProt ID: P31749).
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label="Download All Generated Molecules (SMILES format)",
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)
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with gr.Group(elem_id="metrics-container"):
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gr.Markdown("### Performance Metrics")
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with gr.Row():
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],
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api_name="inference"
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)
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demo.queue()
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demo.launch()
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