Update app.py

app.py

@@ -11,6 +11,6 @@ with gr.Blocks() as blocks:
     out = Molecule3D(label="Output")
     btn = gr.Button("predict")
 
-    btn.click(predict, inp=inp, out=out)
+    btn.click(predict, inputs=inp, outputs=out)
 
 blocks.launch()