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Update app.py
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app.py
CHANGED
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@@ -142,7 +142,6 @@ def similars_node(state: State) -> State:
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print('Not enough information to run similars tool')
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return state
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props_string = 'Found Similar compounds: \n'
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sub_smiles = []
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i = 0
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@@ -295,7 +294,7 @@ Returns the names, SMILES strings, molecular weights and logP values for the sim
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res = chat_model.invoke(prompt)
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tool_choices = str(res).split('<|assistant|>')[1].split('#')[0].strip()
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tool_choices = tool_choices.split(',')
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if len(tool_choices) == 1:
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if tool_choices[0].strip().lower() == 'none':
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@@ -513,8 +512,10 @@ def MoleculeAgent(smiles, name, task):
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with gr.Blocks(fill_height=True) as forest:
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gr.Markdown('''
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# Molecule Agent -
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-
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''')
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name, smiles = None, None
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print('Not enough information to run similars tool')
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return state
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sub_smiles = []
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i = 0
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res = chat_model.invoke(prompt)
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tool_choices = str(res).replace('smilars', 'similars').split('<|assistant|>')[1].split('#')[0].strip()
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tool_choices = tool_choices.split(',')
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if len(tool_choices) == 1:
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if tool_choices[0].strip().lower() == 'none':
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with gr.Blocks(fill_height=True) as forest:
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gr.Markdown('''
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# Molecule Agent - calls the PubChem API to:
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- fetche names
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- fetch SMILES
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- find similar molecules
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''')
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name, smiles = None, None
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