app.py

import gradio as gr
from gradio_bio import Molecule3D

# prediction routine
def predict(x):
    return "Model prediction"

with gr.Blocks() as demo:
    inp = Molecule3D(label="Molecule3D")
    btn = gr.Button("Run")
    out = gr.HTML("")
    btn.click(fn=predict, inputs=[inp], outputs=[out])

demo.launch()