add utils

chemcrow/frontend/streamlit_callback_handler.py

@@ -3,18 +3,10 @@
     StreamlitCallbackHandler,
     LLMThought,
 )
-
-from chemcrow.agents.prompts import FORMAT_INSTRUCTIONS, SUFFIX, QUESTION_PROMPT
-
-from typing import TYPE_CHECKING, Any, Dict, List, NamedTuple, Optional, Union
-
-from langchain.callbacks.streamlit.mutable_expander import MutableExpander
-from langchain.schema import AgentAction, AgentFinish, LLMResult
-
+from typing import Any, Dict, List, Optional
 from streamlit.delta_generator import DeltaGenerator
 
-import ast
-from .utils import cdk, is_valid_smiles
+from .utils import cdk
 
 
 class LLMThoughtChem(LLMThought):

chemcrow/frontend/utils.py

@@ -0,0 +1,25 @@
+import requests
+from rdkit import Chem
+from langchain import LLMChain, PromptTemplate
+from langchain.chat_models import ChatOpenAI
+
+def cdk(smiles):
+    """
+    Get a depiction of some smiles.
+    """
+
+    url = "https://www.simolecule.com/cdkdepict/depict/wob/svg"
+    headers = {'Content-Type': 'application/json'}
+    response = requests.get(
+        url,
+        headers=headers,
+        params={
+            "smi": smiles,
+            "annotate": "colmap",
+            "zoom": 2,
+            "w": 150,
+            "h": 80,
+            "abbr": "off",
+        }
+    )
+    return response.text