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import os |
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if 'OPENAI_API_KEY' not in os.environ: |
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os.environ['OPENAI_API_KEY'] = 'none' |
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import openai |
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import pandas as pd |
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import streamlit as st |
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from IPython.core.display import HTML |
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from PIL import Image |
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from langchain.callbacks import wandb_tracing_enabled |
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from chemcrow.agents import ChemCrow, make_tools |
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from chemcrow.frontend.streamlit_callback_handler import \ |
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StreamlitCallbackHandlerChem |
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from utils import oai_key_isvalid |
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from dotenv import load_dotenv |
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load_dotenv() |
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ss = st.session_state |
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ss.prompt = None |
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icon = Image.open('assets/logo0.png') |
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st.set_page_config( |
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page_title="ChemCrow", |
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page_icon = icon |
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) |
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st.markdown( |
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""" |
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<style> |
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[data-testid="stSidebar"][aria-expanded="true"]{ |
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min-width: 450px; |
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max-width: 450px; |
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} |
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""", |
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unsafe_allow_html=True, |
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) |
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agent = ChemCrow( |
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model='gpt-4', |
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temp=0.1, |
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openai_api_key=ss.get('api_key'), |
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api_keys={ |
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'rxn4chem': st.secrets['RXN4CHEM_API_KEY'] |
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} |
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).agent_executor |
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tools = agent.tools |
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tool_list = pd.Series( |
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{f"✅ {t.name}":t.description for t in tools} |
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).reset_index() |
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tool_list.columns = ['Tool', 'Description'] |
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def on_api_key_change(): |
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api_key = ss.get('api_key') or os.getenv('OPENAI_API_KEY') |
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if not oai_key_isvalid(api_key): |
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st.write("Please input a valid OpenAI API key.") |
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def run_prompt(prompt): |
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st.chat_message("user").write(prompt) |
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with st.chat_message("assistant"): |
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st_callback = StreamlitCallbackHandlerChem( |
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st.container(), |
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max_thought_containers = 2, |
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collapse_completed_thoughts = False, |
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output_placeholder=ss |
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) |
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try: |
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with wandb_tracing_enabled(): |
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response = agent.run(prompt, callbacks=[st_callback]) |
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st.write(response) |
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except openai.error.AuthenticationError: |
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st.write("Please input a valid OpenAI API key") |
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except openai.error.APIError: |
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print("OpenAI API error, please try again!") |
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pre_prompts = [ |
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'How can I synthesize safinamide?', |
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( |
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'Predict the product of a mixture of Ethylidenecyclohexane and HBr. ' |
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'Then predict the same reaction, adding methyl peroxide into the ' |
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'mixture. Compare the two products and explain the reaction mechanism.' |
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), |
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( |
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'What is the boiling point of the reaction product between ' |
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'isoamyl alcohol and acetic acid?' |
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), |
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( |
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'Find 3 alkaloids in the cannabis plant, ' |
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'and calculate their similarity with caffein' |
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) |
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] |
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with st.sidebar: |
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chemcrow_logo = Image.open('assets/chemcrow-logo-bold-new.png') |
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st.image(chemcrow_logo) |
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st.text_input( |
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'Input your OpenAI API key.', |
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placeholder = 'Input your OpenAI API key.', |
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type='password', |
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key='api_key', |
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on_change=on_api_key_change, |
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label_visibility="collapsed" |
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) |
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st.markdown('# What can I ask?') |
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cols = st.columns(2) |
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with cols[0]: |
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st.button( |
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"How can I synthesize safinamide?", |
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on_click=lambda: run_prompt(pre_prompts[0]), |
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) |
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st.button( |
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"Explain mechanism of bromoaddition reaction", |
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on_click=lambda: run_prompt(pre_prompts[1]), |
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) |
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with cols[1]: |
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st.button( |
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'Predict properties of a reaction product', |
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on_click=lambda: run_prompt(pre_prompts[2]), |
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) |
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st.button( |
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'Similarities between alkaloids', |
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on_click=lambda: run_prompt(pre_prompts[3]), |
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) |
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st.markdown('---') |
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st.markdown(f"# {len(tool_list)} available tools") |
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st.dataframe( |
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tool_list, |
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use_container_width=True, |
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hide_index=True, |
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height=200 |
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) |
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if user_input := st.chat_input(): |
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run_prompt(user_input) |
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