app.py

import os
import pandas as pd
import requests
import streamlit as st
from IPython.core.display import HTML
from langchain.agents import AgentType, initialize_agent, load_tools
from langchain.chat_models import ChatOpenAI
from PIL import Image
from rmrkl import ChatZeroShotAgent, RetryAgentExecutor

from chemcrow.agents import ChemCrow
#from chemcrow
from chemcrow.agents.prompts import (FORMAT_INSTRUCTIONS, QUESTION_PROMPT,
                                     SUFFIX)
from chemcrow.frontend.streamlit_callback_handler import \
    StreamlitCallbackHandlerChem
from langchain.callbacks import StreamlitCallbackHandler
from chemcrow.frontend.utils import cdk
#from chemcrow.mol_utils.generals import is_smiles

from dotenv import load_dotenv

load_dotenv()
ss = st.session_state

#tools = ChemTools().all_tools


agent = ChemCrow(
    #tools,
    model='gpt-4',
    temp=0.1,
).agent_executor


#tool_list = pd.Series(
#    {f"✅ {t.name}":t.description for t in tools}
#).reset_index()
#tool_list.columns = ['Tool', 'Description']


icon = Image.open('assets/logo0.png')
st.set_page_config(
    page_title="ChemCrow",
    page_icon = icon
)

# Set width of sidebar
st.markdown(
    """
    <style>
    [data-testid="stSidebar"][aria-expanded="true"]{
        min-width: 450px;
        max-width: 450px;
    }
    """,
    unsafe_allow_html=True,
)

# Session state
# st.session_state['molecule'] = "CCO"
def on_api_key_change():
    api_key = ss.get('api_key') or os.getenv('OPENAI_API_KEY')
    os.environ["OPENAI_API_KEY"] = api_key


# sidebar
with st.sidebar:
    chemcrow_logo = Image.open('assets/chemcrow-logo-bold-new.png')
    st.image(chemcrow_logo)

    # Input OpenAI api key
    st.markdown('Input your OpenAI API key.')
    st.text_input('OpenAI API key', type='password', key='api_key', on_change=on_api_key_change, label_visibility="collapsed")

    # Display available tools
    #st.markdown(f"# Available tools: {len(tools)}")
    #st.dataframe(
    #    tool_list,
    #    use_container_width=True,
    #    hide_index=True,
    #    height=300

    #)


print(st.session_state)
# Agent execution
if prompt := st.chat_input():
    st.chat_message("user").write(prompt)
    with st.chat_message("assistant"):
        st_callback = StreamlitCallbackHandlerChem(
            st.container(),
            max_thought_containers = 4,
            collapse_completed_thoughts = False,
            output_placeholder=st.session_state
        )
        #try:
        # TODO Modify this, not taking callbacks 
        response = agent.run(prompt, callbacks=[st_callback])
        st.write(response)
        #except:
        #    st.write("Please input a valid OpenAI API key.")