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# -*- coding: utf-8 -*-
"""
Created on Mon Dec 23 16:18:29 2024
@author: BM109X32G-10GPU-02
"""
from langchain.tools import BaseTool
import pandas as pd
class search_csv(BaseTool):
name = "csvsearch"
description = (
"input name, return the SMILES of materials "
"convert name to SMILES."
)
llm: BaseLanguageModel = None
openai_api_key: str = None
semantic_scholar_api_key: str = None
def __init__(self):
super().__init__()
def _run(self, smiles: str) -> str:
csv_data = pd.read_csv('dataset.csv',encoding='ISO-8859-1')
relevant_rows = csv_data[csv_data['Name']==(query)]
if not relevant_rows.empty:
# Get the most relevant answer (assuming we return the first match)
return relevant_rows.iloc[0]['SMILES']
return None
async def _arun(self, smiles: str) -> str:
"""Use the tool asynchronously."""
raise NotImplementedError()
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