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"""
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Created on Mon Dec 23 16:18:29 2024
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@author: BM109X32G-10GPU-02
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"""
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from langchain.tools import BaseTool
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import pandas as pd
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class search_csv(BaseTool):
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name = "csvsearch"
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description = (
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"input name, return the SMILES of materials "
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"convert name to SMILES."
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)
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llm: BaseLanguageModel = None
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openai_api_key: str = None
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semantic_scholar_api_key: str = None
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def __init__(self):
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super().__init__()
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def _run(self, smiles: str) -> str:
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csv_data = pd.read_csv('dataset.csv',encoding='ISO-8859-1')
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relevant_rows = csv_data[csv_data['Name']==(query)]
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if not relevant_rows.empty:
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return relevant_rows.iloc[0]['SMILES']
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return None
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async def _arun(self, smiles: str) -> str:
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"""Use the tool asynchronously."""
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raise NotImplementedError()
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