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Cosmetique gradio

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  1. app.py +30 -0
app.py CHANGED
@@ -71,10 +71,40 @@ def compute_Chai1(
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  reps = [{"model": 0,"style": "cartoon","color": "whiteCarbon"}]
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  with gr.Blocks() as demo:
 
 
 
 
 
 
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  inp = gr.Textbox(placeholder="Fasta Sequence file", label="Input Fasta file")
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  btn = gr.Button("Run")
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  out = Molecule3D(label="Molecule3D", reps=reps)
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  btn.click(fn=compute_Chai1, inputs=[inp], outputs=[out])
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
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  # Launch both the Gradio web interface and the MCP server
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  if __name__ == "__main__":
 
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  reps = [{"model": 0,"style": "cartoon","color": "whiteCarbon"}]
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  with gr.Blocks() as demo:
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+
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+ gr.Markdown(
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+ """
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+ # Chai1 Simulation Interface
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+ This interface allows you to run Chai1 simulations on a given Fasta sequence file.
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+ """)
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  inp = gr.Textbox(placeholder="Fasta Sequence file", label="Input Fasta file")
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  btn = gr.Button("Run")
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  out = Molecule3D(label="Molecule3D", reps=reps)
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  btn.click(fn=compute_Chai1, inputs=[inp], outputs=[out])
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+
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+ gr.Markdown(
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+ """
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+ You can input a Fasta file containing the sequence of the molecule you want to simulate.
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+ The output will be a 3D representation of the molecule based on the Chai1 model.
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+ ## Instructions
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+ 1. Upload a Fasta sequence file containing the molecule sequence.
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+ 2. Click the "Run" button to start the simulation.
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+ 3. The output will be a 3D visualization of the molecule.
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+ ## Example Input
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+ You can use the default Fasta file provided in the inputs directory, or upload your own.
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+ ## Output
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+ The output will be a 3D representation of the molecule, which you can interact with.
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+ ## Note
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+ Make sure to have the necessary dependencies installed and the Chai1 model available in the specified directory.
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+ ## Disclaimer
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+ This interface is for educational and research purposes only. The results may vary based on the input sequence and the Chai1 model's capabilities.
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+ ## Contact
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+ For any issues or questions, please contact the developer or refer to the documentation.
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+ ## Example Fasta File
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+ ```
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+ >sp|P12345|EXAMPLE_HUMAN Example protein
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+ MSEQNNTEMTFQIQRIYTKDISFEAPNAPHVQKLLLQGQGQGQGQGQGQGQGQGQGQ
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+ """)
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  # Launch both the Gradio web interface and the MCP server
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  if __name__ == "__main__":