add app

app.py

@@ -0,0 +1,105 @@
+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.")
+
+