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Update app.py
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app.py
CHANGED
@@ -300,19 +300,13 @@ For more details, see our [paper on arXiv](https://arxiv.org/abs/2302.07868).
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with gr.Row():
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with gr.Column(scale=1):
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# Reuse model selection for custom input
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model_name_custom = gr.Radio(
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choices=("DrugGEN-AKT1", "DrugGEN-CDK2", "DrugGEN-NoTarget"),
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value="DrugGEN-AKT1",
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label="Select Target Model",
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info="Choose which protein target or general model to use for evaluation"
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)
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custom_smiles = gr.Textbox(
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label="Input SMILES (one per line, maximum 100 molecules)",
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placeholder="C(C(=O)O)N\nCCO\n...",
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lines=10
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)
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custom_submit = gr.Button(
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value="
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variant="primary",
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size="lg"
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)
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@@ -350,12 +344,12 @@ For more details, see our [paper on arXiv](https://arxiv.org/abs/2302.07868).
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custom_submit.click(
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run_inference,
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inputs=[gr.State("Custom Input SMILES"),
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outputs=[
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],
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api_name="inference_custom"
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)
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with gr.Row():
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with gr.Column(scale=1):
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# Reuse model selection for custom input
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custom_smiles = gr.Textbox(
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label="Input SMILES (one per line, maximum 100 molecules)",
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placeholder="C(C(=O)O)N\nCCO\n...",
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lines=10
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)
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custom_submit = gr.Button(
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value="Generate Molecules using Custom SMILES",
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variant="primary",
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size="lg"
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)
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custom_submit.click(
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run_inference,
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inputs=[gr.State("Custom Input SMILES"), model_name, gr.State(0), gr.State(""), custom_smiles],
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outputs=[
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image_output,
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file_download,
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basic_metrics_df,
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advanced_metrics_df
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],
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api_name="inference_custom"
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)
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