new version of CC including new synthesis tool

app.py

@@ -61,13 +61,6 @@ def on_api_key_change():
     if not oai_key_isvalid(api_key):
         st.write("Please input a valid OpenAI API key.")
 
-pre_prompts = [
-    'What is the molecular weight of sugar',
-    'Can I safely mix caffeine and sodium hydroxide?',
-    'How is safinamide synthesized?',
-    'How similar is morphine to heroin?'
-]
-
 
 def run_prompt(prompt):
     st.chat_message("user").write(prompt)
@@ -86,6 +79,23 @@ def run_prompt(prompt):
             st.write("Please input a valid OpenAI API key")
 
 
+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?'
+    ),
+    (
+        'Find 3 alkaloids in the cannabis plant, '
+        'and calculate their similarity with caffein'
+    )
+]
+
 # sidebar
 with st.sidebar:
     chemcrow_logo = Image.open('assets/chemcrow-logo-bold-new.png')
@@ -106,24 +116,23 @@ with st.sidebar:
     cols = st.columns(2)
     with cols[0]:
         st.button(
-            pre_prompts[0],
+            "How can I synthesize safinamide?",
             on_click=lambda: run_prompt(pre_prompts[0]),
         )
         st.button(
-            pre_prompts[1],
+            "Explain mechanism of bromoadition reaction",
             on_click=lambda: run_prompt(pre_prompts[1]),
         )
     with cols[1]:
         st.button(
-            pre_prompts[2],
+            'Predict properties of a reaction product',
             on_click=lambda: run_prompt(pre_prompts[2]),
         )
         st.button(
-            pre_prompts[3],
+            'Similarities between alkaloids',
             on_click=lambda: run_prompt(pre_prompts[3]),
         )
 
-
     # Display available tools
     st.markdown(f"# {len(tool_list)} available tools")
     st.dataframe(

requirements.txt

@@ -5,7 +5,7 @@ python-dotenv
 duckduckgo-search
 wikipedia
 wandb
-chemcrow==0.3.11
+chemcrow==0.3.12
 pydantic==1.10.7
 langchain==0.0.275
 typing-inspect==0.8.0