SKekana commited on
Commit
690fced
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1 Parent(s): 09956a4

Added more example prompts

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Files changed (1) hide show
  1. app.py +9 -2
app.py CHANGED
@@ -220,10 +220,17 @@ with gr.Blocks(theme=gr.themes.Soft(primary_hue="teal", secondary_hue="orange"))
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  gr.Markdown("### ✨ Example Prompts:")
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  gr.Examples(
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  examples=[
 
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  "Optimize a CO molecule using BFGS and show its bond length.",
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- "Create a 2x2x2 supercell of Silicon (Si) and get its potential energy using EMT.",
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  "Build a methane molecule (CH4) and calculate its energy with EMT.",
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- "Simulate a single gold (Au) atom."
 
 
 
 
 
 
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  ],
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  inputs=[user_query_input]
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  )
 
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  gr.Markdown("### ✨ Example Prompts:")
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  gr.Examples(
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  examples=[
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+ "Optimize a water molecule (H2O) using EMT and show the final geometry and energy.",
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  "Optimize a CO molecule using BFGS and show its bond length.",
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+ "Simulate a basic alcohol molecule (e.g., methanol) and report key bond lengths.",
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  "Build a methane molecule (CH4) and calculate its energy with EMT.",
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+ "Simulate a single gold (Au) atom.",
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+ "Perform a geometry optimization for benzene using EMT.",
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+ "Calculate the binding energy of an O2 molecule.",
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+ "Relax an ammonia molecule (NH3) and display its bond angles.",
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+ "Build a silicon crystal unit cell and calculate its total energy.",
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+ "Optimize a CO2 molecule and display its linearity.",
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+ "Simulate a water dimer and analyze the hydrogen bond length."
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  ],
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  inputs=[user_query_input]
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  )