woshixuhao commited on
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36ec0a1
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1 Parent(s): 1a6c097

Update app.py

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  1. app.py +17 -0
app.py CHANGED
@@ -20,6 +20,23 @@ import wget
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  import warnings
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  import gradio as gr
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  warnings.filterwarnings("ignore")
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
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  Eluent_smiles=['CCCCCC','CC(OCC)=O','C(Cl)Cl','CO','CCOCC']
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  def parse_args():
 
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  import warnings
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  import gradio as gr
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  warnings.filterwarnings("ignore")
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+ theme = gr.themes.Monochrome(
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+ primary_hue="indigo",
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+ secondary_hue="blue",
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+ neutral_hue="slate",
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+ )
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+ model_card = f"""
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+ ## Description
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+ It is a app for predicting Rf values of two compounds under different eluents in TLC.
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+ input: smiles of two compounds, such as CC(OCC)=O
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+ output: three images that show the Rf curve with different eluent ratios under PE/EA, DCM/MeOH, PE:Et2O system.
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+
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+ #Citation
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+ Welcome to cite our work:
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+ H. Xu, J. Lin, Q. Liu, Y. Chen, J. Zhang, Y. Yang, M.C. Young, Y. Xu, D. Zhang, F. Mo
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+ High-throughput discovery of chemical structure-polarity relationships combining automation and machine-learning techniques
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+ Chem (2022), pp. 1-13, 10.1016/j.chempr.2022.08.008
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+ """
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  Eluent_smiles=['CCCCCC','CC(OCC)=O','C(Cl)Cl','CO','CCOCC']
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  def parse_args():