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import gradio as gr
from utils import ChemicalConverter, validate_smiles2iupac, plot_mol, login
def convert(access_code, chemical_name, plot):
# Initialize the ChemicalConverter
converter = ChemicalConverter(mode="IUPAC2SMILES")
converted_name = converter.convert(chemical_name)[:6]
styles = {"<SYST>": "SYSTEMATIC", "<TRAD>": "TRADITIONAL", "<BASE>": "BASE"}
return styles.get(converted_name, "")
iupac2style = gr.Interface(
fn=convert,
allow_flagging='auto',
inputs=[
gr.Textbox(label="Enter your IUPAC name", placeholder="Enter IUPAC name here"),
],
outputs=[gr.Text(label="IUPAC style")],
examples=[
["propan-2-yl 2-[4-(4-chlorophenyl)carbonylphenoxy]-2-methyl-propanoate"]
],
) |