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uncomment dotenv and moved gromacs nb
1 parent ec3d01c commit b814bb9

3 files changed

Lines changed: 4 additions & 4 deletions

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mdcrow/agent/agent.py

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@@ -1,7 +1,7 @@
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import os
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from datetime import datetime
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# from dotenv import load_dotenv
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from dotenv import load_dotenv
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from langchain.agents import AgentExecutor, OpenAIFunctionsAgent
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from langchain.agents.structured_chat.base import StructuredChatAgent
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@@ -10,7 +10,7 @@
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from .memory import MemoryManager
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from .prompt import openaifxn_prompt, structured_prompt
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# load_dotenv()
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load_dotenv()
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class AgentType:

mdcrow/tools/maketools.py

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@@ -2,7 +2,7 @@
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import numpy as np
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# from dotenv import load_dotenv
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from dotenv import load_dotenv
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from langchain import agents
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from langchain.base_language import BaseLanguageModel
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from langchain_openai import OpenAIEmbeddings
@@ -69,7 +69,7 @@ def make_all_tools(
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human=False,
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modifysim_no_run=False,
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):
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# load_dotenv()
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load_dotenv()
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all_tools = []
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path_instance = PathRegistry.get_instance() # get instance first
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if llm:

notebooks/gromacs_example.ipynb renamed to notebooks/mdcrow_extrapolation/gromacs_example.ipynb

File renamed without changes.

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