Update tools.py
Browse files
tools.py
CHANGED
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@@ -26,14 +26,24 @@ def drug_tools(llm: BaseLanguageModel, api_keys: dict = {}, verbose=True, image
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all_tools += [
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-
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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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-
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ADMETLab(),
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]
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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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-
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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:
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