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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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compound = pcp.get_compounds(chemical_name, 'name')[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]}") |
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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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output.append(f"Isotope Atom Count: {compound.isotope_atom_count}") |
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output.append(f"Charge: {compound.charge}") |
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output.append("\nAtoms:") |
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for i, atom in enumerate(compound.atoms, start=1): |
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output.append(f" Atom {i}: Element = {atom.element}") |
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output.append("\nBonds:") |
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for bond in compound.bonds: |
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atom1 = bond.atom1.element |
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atom2 = bond.atom2.element |
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output.append(f" Bond between {atom1} and {atom2}, Order: {bond.order}") |
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return "\n".join(output) |
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except IndexError: |
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return f"No information found for '{chemical_name}'. Please try a more precise name." |
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demo = gr.Interface( |
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fn=get_chemical_info, |
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inputs=gr.Textbox(label="Enter Chemical Name"), |
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outputs=gr.Textbox(label="Compound Information", lines=20), |
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title="ChemQuery: Learn Molecules Easily", |
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description="Enter a chemical name to get formula, synonyms, atomic structure, and more. Powered by PubChem & PubChemPy. Designed for student use in chemistry learning." |
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) |
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if __name__ == "__main__": |
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demo.launch() |
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