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import os
# Init with fake key
if 'OPENAI_API_KEY' not in os.environ:
os.environ['OPENAI_API_KEY'] = 'none'
import openai
import pandas as pd
import streamlit as st
from IPython.core.display import HTML
from PIL import Image
from langchain.callbacks import wandb_tracing_enabled
from chemcrow.agents import ChemCrow, make_tools
from chemcrow.frontend.streamlit_callback_handler import \
StreamlitCallbackHandlerChem
from utils import oai_key_isvalid
from dotenv import load_dotenv
load_dotenv()
ss = st.session_state
ss.prompt = None
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,
)
def instantiate_agent(model):
ss.agent = ChemCrow(
model=model,
tools_model=model,
temp=0.1,
openai_api_key=ss.get('api_key'),
api_keys={
'RXN4CHEM_API_KEY': st.secrets['RXN4CHEM_API_KEY'],
'CHEMSPACE_API_KEY': st.secrets['CHEMSPACE_API_KEY']
}
).agent_executor
return ss.agent
instantiate_agent('gpt-4-0613')
tools = ss.agent.tools
tool_list = pd.Series(
{f"✅ {t.name}":t.description for t in tools}
).reset_index()
tool_list.columns = ['Tool', 'Description']
def on_api_key_change():
api_key = ss.get('api_key') or os.getenv('OPENAI_API_KEY')
# Check if key is valid
if not oai_key_isvalid(api_key):
st.write("Please input a valid OpenAI API key.")
def run_prompt(prompt):
agent = instantiate_agent(ss.get('model_select'))
st.chat_message("user").write(prompt)
with st.chat_message("assistant"):
st_callback = StreamlitCallbackHandlerChem(
st.container(),
max_thought_containers = 3,
collapse_completed_thoughts = False,
output_placeholder=ss
)
try:
with wandb_tracing_enabled():
response = agent.run(prompt, callbacks=[st_callback])
st.write(response)
except openai.error.AuthenticationError:
st.write("Please input a valid OpenAI API key")
except openai.error.APIError:
# Handle specific API errors here
print("OpenAI API error, please try again!")
pre_prompts = [
'How can I synthesize safinamide?',
(
'Predict the product of a mixture of Ethylidenecyclohexane and HBr. '
'Then predict the same reaction, adding methyl peroxide into the '
'mixture. Compare the two products and explain the reaction mechanism.'
),
(
'What is the boiling point of the reaction product between '
'isoamyl alcohol and acetic acid?'
),
'Tell me how to synthesize vanilline, and the price of the precursors.'
]
# sidebar
with st.sidebar:
chemcrow_logo = Image.open('assets/chemcrow-logo-bold-new.png')
st.image(chemcrow_logo)
# Input OpenAI api key
st.text_input(
'Input your OpenAI API key.',
placeholder = 'Input your OpenAI API key.',
type='password',
key='api_key',
on_change=on_api_key_change,
label_visibility="collapsed"
)
# Input model to use
st.selectbox(
'Select model to use',
['gpt-4-0613', 'gpt-3.5-turbo', 'gpt-4o-mini'],
key='model_select',
)
# Display prompt examples
st.markdown('# What can I ask?')
cols = st.columns(2)
with cols[0]:
st.button(
"How can I synthesize safinamide?",
on_click=lambda: run_prompt(pre_prompts[0]),
)
st.button(
"Explain mechanism of bromoaddition reaction",
on_click=lambda: run_prompt(pre_prompts[1]),
)
with cols[1]:
st.button(
'Predict properties of a reaction product',
on_click=lambda: run_prompt(pre_prompts[2]),
)
st.button(
'Synthesize molecule with price of precursors',
on_click=lambda: run_prompt(pre_prompts[3]),
)
st.markdown('---')
# Display available tools
st.markdown(f"# {len(tool_list)} available tools")
st.dataframe(
tool_list,
use_container_width=True,
hide_index=True,
height=200
)
# Execute agent on user input
if user_input := st.chat_input():
run_prompt(user_input)
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