Upload 2 files
Browse files- app.py +43 -19
- requirements.txt +0 -1
app.py
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@@ -1,14 +1,28 @@
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import gradio as gr
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import pubchempy as pcp
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def get_chemical_info(chemical_name):
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try:
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output = []
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output.append(f"IUPAC Name: {compound.iupac_name}")
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output.append(f"Common Name: {compound.synonyms[0]}")
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output.append(f"Synonyms: {', '.join(compound.synonyms[:4])}")
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output.append(f"Formula: {compound.molecular_formula}")
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output.append(f"Molecular Weight: {compound.molecular_weight}")
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output.append(f"Exact Molecular Weight: {compound.exact_mass}")
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@@ -31,7 +45,9 @@ def get_chemical_info(chemical_name):
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final_text = "\n".join(output)
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# Save to a file
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with open(file_path, "w") as f:
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f.write(final_text)
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@@ -39,26 +55,32 @@ def get_chemical_info(chemical_name):
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except IndexError:
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return f"No information found for '{chemical_name}'. Please try a more precise name.", None
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# Gradio UI
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with gr.Blocks(title="ChemQuery: Learn Molecules Easily") as demo:
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gr.Markdown("## ChemQuery: Learn Molecules Easily")
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gr.Markdown(
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)
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with gr.Row():
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@@ -81,5 +103,7 @@ with gr.Blocks(title="ChemQuery: Learn Molecules Easily") as demo:
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download_file = gr.File(label="Download as TXT")
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submit_btn.click(get_chemical_info, inputs=chemical_input, outputs=[output_text, download_file])
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import socket
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import gradio as gr
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import pubchempy as pcp
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# PubChemPy has no built-in request timeout, so a slow/unresponsive PubChem
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# API call can hang a worker indefinitely. A global socket timeout prevents
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# that from ever blocking the app.
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socket.setdefaulttimeout(15)
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def get_chemical_info(chemical_name):
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if not chemical_name or not chemical_name.strip():
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return "Please enter a chemical name.", None
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try:
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compounds = pcp.get_compounds(chemical_name, 'name')
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if not compounds:
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return f"No information found for '{chemical_name}'. Please try a more precise name.", None
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compound = compounds[0]
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output = []
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output.append(f"IUPAC Name: {compound.iupac_name}")
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output.append(f"Common Name: {compound.synonyms[0] if compound.synonyms else 'N/A'}")
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output.append(f"Synonyms: {', '.join(compound.synonyms[:4]) if compound.synonyms else 'N/A'}")
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output.append(f"Formula: {compound.molecular_formula}")
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output.append(f"Molecular Weight: {compound.molecular_weight}")
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output.append(f"Exact Molecular Weight: {compound.exact_mass}")
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final_text = "\n".join(output)
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# Save to a file
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safe_name = "".join(c for c in chemical_name if c.isalnum() or c in (" ", "_", "-")).strip()
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safe_name = safe_name.replace(" ", "_") or "compound"
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file_path = f"/tmp/{safe_name}_info.txt"
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with open(file_path, "w") as f:
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f.write(final_text)
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except IndexError:
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return f"No information found for '{chemical_name}'. Please try a more precise name.", None
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except (socket.timeout, TimeoutError):
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return "PubChem took too long to respond. Please try again in a moment.", None
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except Exception as e:
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# Catch-all so an unexpected PubChem/network error never crashes the
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# request handler or shows a raw traceback to the user.
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return f"Something went wrong while looking up '{chemical_name}': {e}", None
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# Gradio UI
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with gr.Blocks(title="ChemQuery: Learn Molecules Easily") as demo:
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gr.Markdown("## ChemQuery: Learn Molecules Easily")
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gr.Markdown(
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"""
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Enter a chemical name to explore its molecular formula, synonyms, atomic structure, and bonding details.
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ChemQuery is Powered by PubChem & PubChemPy — designed to make chemistry learning simple and fun for students, teachers, and curious minds alike.
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If you find this initiative helpful, please:
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- ❤️ Give it a like
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- 🔁 Share it with your friends, classmates, or educators
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- ⭐ Star the GitHub repo: [ChemQuery](https://github.com/RezuwanHassan262/ChemQuery/tree/main)
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> _“ChemQuery is a free and open-source chemistry learning tool built as part of an educational initiative to support students worldwide.”_
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Let's spread the love for science and open knowledge! 🌍🧪✨
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"""
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)
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with gr.Row():
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download_file = gr.File(label="Download as TXT")
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submit_btn.click(get_chemical_info, inputs=chemical_input, outputs=[output_text, download_file])
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chemical_input.submit(get_chemical_info, inputs=chemical_input, outputs=[output_text, download_file])
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if __name__ == "__main__":
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demo.launch()
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requirements.txt
CHANGED
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@@ -1,2 +1 @@
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pubchempy==1.0.4
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gradio==4.28.3
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pubchempy==1.0.4
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