Update app.py
Browse files
app.py
CHANGED
@@ -23,7 +23,7 @@ def stop_generation():
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is_stopped = True
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return "Generation stopped."
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def CTXGen(X0, X1, X2, τ, g_num, model_name):
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global is_stopped
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is_stopped = False
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@@ -36,7 +36,6 @@ def CTXGen(X0, X1, X2, τ, g_num, model_name):
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model = torch.load(save_path, map_location=torch.device('cpu'))
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model = model.to(device)
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X3 = X0
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msa_data = pd.read_csv('conoData_C0.csv')
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msa = msa_data['Sequences'].tolist()
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msa = [x for x in msa if x.startswith(f"{X1}|{X2}")]
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@@ -174,6 +173,7 @@ with gr.Blocks() as demo:
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gr.Markdown("# Conotoxin Optimization Generation")
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with gr.Row():
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X0 = gr.Textbox(label="conotoxin")
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X1 = gr.Dropdown(choices=['<α7>','<AChBP>','<α4β2>','<α3β4>','<Ca22>','<α3β2>', '<Na12>','<α9α10>','<K16>', '<α1β1γδ>',
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'<K13>', '<α1BAR>', '<α1β1ε>', '<α1AAR>', '<GluN3A>', '<GluN2B>', '<α75HT3>', '<Na14>',
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'<GluN2C>', '<NET>', '<NavBh>', '<α6β3β4>', '<Na11>', '<Ca13>', '<Ca12>', '<Na16>', '<α6α3β2>',
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@@ -192,7 +192,7 @@ with gr.Blocks() as demo:
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with gr.Row():
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output_file = gr.File(label="Download generated conotoxins")
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start_button.click(CTXGen, inputs=[X0, X1, X2, τ, g_num, model_name], outputs=[output_df, output_file])
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stop_button.click(stop_generation, outputs=None)
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demo.launch()
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is_stopped = True
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return "Generation stopped."
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def CTXGen(X0, X3, X1, X2, τ, g_num, model_name):
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global is_stopped
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is_stopped = False
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model = torch.load(save_path, map_location=torch.device('cpu'))
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model = model.to(device)
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msa_data = pd.read_csv('conoData_C0.csv')
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msa = msa_data['Sequences'].tolist()
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msa = [x for x in msa if x.startswith(f"{X1}|{X2}")]
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gr.Markdown("# Conotoxin Optimization Generation")
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with gr.Row():
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X0 = gr.Textbox(label="conotoxin")
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X3 = gr.Textbox(label="Positions that needs optimization")
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X1 = gr.Dropdown(choices=['<α7>','<AChBP>','<α4β2>','<α3β4>','<Ca22>','<α3β2>', '<Na12>','<α9α10>','<K16>', '<α1β1γδ>',
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'<K13>', '<α1BAR>', '<α1β1ε>', '<α1AAR>', '<GluN3A>', '<GluN2B>', '<α75HT3>', '<Na14>',
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'<GluN2C>', '<NET>', '<NavBh>', '<α6β3β4>', '<Na11>', '<Ca13>', '<Ca12>', '<Na16>', '<α6α3β2>',
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with gr.Row():
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output_file = gr.File(label="Download generated conotoxins")
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start_button.click(CTXGen, inputs=[X0, X3, X1, X2, τ, g_num, model_name], outputs=[output_df, output_file])
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stop_button.click(stop_generation, outputs=None)
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demo.launch()
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