sagawa commited on
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bbb0c13
1 Parent(s): 70b4c2a

Update app.py

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Files changed (1) hide show
  1. app.py +6 -3
app.py CHANGED
@@ -15,9 +15,12 @@ import rdkit
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  import streamlit as st
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  st.title('predictproduct-t5')
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- st.markdown('#### At this space, you can predict the products of reactions from their inputs.')
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- st.markdown('#### The code expects input_data as a string or CSV file that contains an "input" column. The format of the string or contents of the column are like "REACTANT:{reactants of the reaction}CATALYST:{catalysts of the reaction}REAGENT:{reagents of the reaction}SOLVENT:{solvent of the reaction}".')
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- st.markdown('#### If there are no catalyst or reagent, fill the blank with a space. And if there are multiple reactants, concatenate them with "."')
 
 
 
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  display_text = 'input the reaction smiles (e.g. REACTANT:CNc1nc(SC)ncc1CO.O.O=[Cr](=O)([O-])O[Cr](=O)(=O)[O-].[Na+]CATALYST: REAGENT: SOLVENT:CC(=O)O)'
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  class CFG():
 
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  import streamlit as st
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  st.title('predictproduct-t5')
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+ st.markdown('##### At this space, you can predict the products of reactions from their inputs.')
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+ st.markdown('##### The code expects input_data as a string or CSV file that contains an "input" column. The format of the string or contents of the column are like "REACTANT:{reactants of the reaction}CATALYST:{catalysts of the reaction}REAGENT:{reagents of the reaction}SOLVENT:{solvent of the reaction}".')
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+ st.markdown('##### If there are no catalyst or reagent, fill the blank with a space. And if there are multiple reactants, concatenate them with "."')
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+ st.markdown('##### The output contains smiles of predicted products and sum of log-likelihood for each prediction. Predictions are ordered by their log-likelihood.(0th is the most probable product.) "valid compound" is the most probable and valid(can be recognized by RDKit) prediction.')
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+
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+
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  display_text = 'input the reaction smiles (e.g. REACTANT:CNc1nc(SC)ncc1CO.O.O=[Cr](=O)([O-])O[Cr](=O)(=O)[O-].[Na+]CATALYST: REAGENT: SOLVENT:CC(=O)O)'
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  class CFG():