feiyang-cai commited on
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8f4c1fe
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1 Parent(s): 65a5649

Update app.py

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  1. app.py +9 -3
app.py CHANGED
@@ -34,9 +34,15 @@ task_names = {
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  task_names_to_tasks = {v: k for k, v in task_names.items()}
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  tasks = list(candidate_models.keys())
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  task_descriptions = {
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- 'mit_synthesis': 'Predict the reaction products given the reactants and reagents (reactants and reagents are mixed; different compounds are separated by ".").' + \
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- 'C1CCOC1.N#Cc1ccsc1N.O=[N+]([O-])c1cc(F)c(F)cc1F.[H-].[Na+]',
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- 'full_retro': 'Predict the reaction precursors given the reaction products (different compounds are separated by ".").'
 
 
 
 
 
 
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  }
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  #property_names = list(candidate_models.keys())
 
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  task_names_to_tasks = {v: k for k, v in task_names.items()}
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  tasks = list(candidate_models.keys())
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  task_descriptions = {
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+ 'mit_synthesis': 'Predict the reaction products given the reactants and reagents. \n' + \
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+ '1. This model is trained on the USPTO MIT dataset. \n' + \
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+ '2. The reactants and reagents are mixed in the input SMILES string. \n' + \
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+ '3. Different compounds are separated by ".". \n' + \
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+ '4. Input SMILES string example: C1CCOC1.N#Cc1ccsc1N.O=[N+]([O-])c1cc(F)c(F)cc1F.[H-].[Na+]',
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+ 'full_retro': 'Predict the reaction precursors given the reaction products. \n' + \
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+ '1. This model is trained on the USPTO Full dataset. \n' + \
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+ '2. In this dataset, we consider only a single product in the input SMILES string. \n' + \
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+ '3. Input SMILES string example: CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@@]21C'
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  }
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  #property_names = list(candidate_models.keys())