import gradio as gr import os import sys def generate(input_file): try: path = input_file.name except: return 'Error!' return 'Success!' demo = gr.Blocks() with demo: gr.Markdown('# DiffLinker: Equivariant 3D-Conditional Diffusion Model for Molecular Linker Design') with gr.Box(): with gr.Row(): gr.Markdown('## Input Fragments') input_file = gr.File(file_count='single', label='Input fragments in .mol2 or .sdf format') button = gr.Button('Generate Linker!') gr.Markdown('## Result') visualization = gr.HTML() button.click( fn=generate, inputs=[input_file], outputs=[visualization], ) demo.launch()