jinysun commited on
Commit
e397834
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1 Parent(s): edfa83c

Update tools.py

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Files changed (1) hide show
  1. tools.py +23 -5
tools.py CHANGED
@@ -26,14 +26,24 @@ def drug_tools(llm: BaseLanguageModel, api_keys: dict = {}, verbose=True, image
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  )
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  all_tools += [
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- browseruse(openai_api_key),
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- rag(openai_api_key),
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  codewriter(llm=llm ,openai_api_key= openai_api_key),
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  graphconverter(),
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  Query2SMILES(chemspace_api_key),
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  Mol2SMILES(chemspace_api_key) ,
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  Query2CAS(),
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- druglike(),
 
 
 
 
 
 
 
 
 
 
 
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  ADMETLab(),
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  ]
@@ -76,19 +86,27 @@ def make_tools(llm: BaseLanguageModel, api_keys: dict = {}, verbose=True, image
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  )
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  all_tools += [
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- browseruse(openai_api_key),
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- rag(openai_api_key),
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  codewriter(llm=llm ,openai_api_key= openai_api_key),
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  graphconverter(),
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  Query2SMILES(chemspace_api_key),
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  Mol2SMILES(chemspace_api_key) ,
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  Query2CAS(),
 
 
 
 
 
 
 
 
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  acceptor_predictor(),
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  homolumo_predictor(),
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  dap_screen(),
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  molgen(),
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  dap_predictor(),
 
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  ]
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  # if semantic_scholar_api_key:
 
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  )
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  all_tools += [
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+ rag(openai_api_key),
 
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  codewriter(llm=llm ,openai_api_key= openai_api_key),
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  graphconverter(),
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  Query2SMILES(chemspace_api_key),
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  Mol2SMILES(chemspace_api_key) ,
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  Query2CAS(),
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+ SMILES2Name(),
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+ SMILES2SAScore(),
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+ SMILES2LogP(),
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+ SMILES2Properties(),
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+ MolSimilarity(),
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+ SMILES2Weight(),
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+ FuncGroups(),
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+
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+ molgen(),
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+ dap_predictor(),
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+ browseruse(openai_api_key),
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+ druglike(),
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  ADMETLab(),
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  ]
 
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  )
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  all_tools += [
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+ rag(openai_api_key),
 
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  codewriter(llm=llm ,openai_api_key= openai_api_key),
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  graphconverter(),
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  Query2SMILES(chemspace_api_key),
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  Mol2SMILES(chemspace_api_key) ,
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  Query2CAS(),
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+ SMILES2Name(),
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+ SMILES2SAScore(),
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+ SMILES2LogP(),
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+ SMILES2Properties(),
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+ MolSimilarity(),
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+ SMILES2Weight(),
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+ FuncGroups(),
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+ donor_predictor(),
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  acceptor_predictor(),
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  homolumo_predictor(),
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  dap_screen(),
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  molgen(),
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  dap_predictor(),
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+ browseruse(openai_api_key),
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  ]
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  # if semantic_scholar_api_key: