Create app.py

app.py

@@ -0,0 +1,38 @@
+from rdkit.Chem import Draw
+from rdkit import Chem
+import selfies as sf
+
+def greet(name):
+    sf_output = ['[C][=C][C][=C][C][=C][Ring1][=Branch1]',
+    '[C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1]',
+    '[C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C]',
+    '[C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][C][=C][C]',
+    '[C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][=C][C][=C]']
+    
+    smis = [sf.decoder(i) for i in sf_output]
+    
+    mols = []
+    for smi in smis:
+        mol = Chem.MolFromSmiles(smi)
+        mols.append(mol)
+    
+    img = Draw.MolsToGridImage(
+        mols,
+        molsPerRow=4,
+        subImgSize=(200,200),
+        legends=['' for x in mols]
+    )
+   
+    return img
+
+
+
+
+
+
+
+
+
+iface = gr.Interface(fn=greet, inputs="text", outputs="images", title="Molecular Language Model as Multi-task Generator",
+    )
+iface.launch()