Upload app.py

app.py

@@ -0,0 +1,41 @@
+import gradio as gr
+import pubchempy as pcp
+
+def get_chemical_info(chemical_name):
+    try:
+        compound = pcp.get_compounds(chemical_name, 'name')[0]
+
+        output = []
+        output.append(f"IUPAC Name: {compound.iupac_name}")
+        output.append(f"Common Name: {compound.synonyms[0]}")
+        output.append(f"Synonyms: {', '.join(compound.synonyms[:4])}")
+        output.append(f"Formula: {compound.molecular_formula}")
+        output.append(f"Molecular Weight: {compound.molecular_weight}")
+        output.append(f"Exact Molecular Weight: {compound.exact_mass}")
+        output.append(f"Isotope Atom Count: {compound.isotope_atom_count}")
+        output.append(f"Charge: {compound.charge}")
+
+        output.append("\nAtoms:")
+        for i, atom in enumerate(compound.atoms, start=1):
+            output.append(f"  Atom {i}: Element = {atom.element}")
+
+        output.append("\nBonds:")
+        for bond in compound.bonds:
+            output.append(f"  Bond between Atom {bond.a1} and Atom {bond.a2}, Order: {bond.order}")
+
+        return "\n".join(output)
+
+    except IndexError:
+        return f"No information found for '{chemical_name}'. Please try a more precise name."
+
+# Gradio Interface
+demo = gr.Interface(
+    fn=get_chemical_info,
+    inputs=gr.Textbox(label="Enter Chemical Name"),
+    outputs=gr.Textbox(label="Compound Information", lines=20),
+    title="ChemQuery: Learn Molecules Easily",
+    description="Enter a chemical name to get formula, synonyms, atomic structure, and more. Powered by PubChem & PubChemPy. Designed for student use in chemistry learning."
+)
+
+if __name__ == "__main__":
+    demo.launch()