import gradio as gr import cg2all def runner(in_pdb, model_type): out_fn = in_pdb.name[:-4] + "-all.pdb" cg2all.convert_cg2all(in_pdb.name, out_fn, model_type=model_type) demo = gr.Interface(fn=cg2all.convert_cg2all, inputs=[gr.File("Upload a coarse-grained PDB file"), gr.Radio(["CalphaBasedModel", "ResidueBasedModel", "Martini"])], outputs=[gr.File("Download the converted all-atom PDB file")]) demo.launch()