Update

st_openbabel_demo.py

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+import streamlit as st
+import pandas as pd
+import tempfile
+
+from openbabel import pybel
+from st_table_select_cell import st_table_select_cell
+
+st.header("Openbabel test")
+st.write("Select a molecul to visualize:")
+
+# Open data in sdf format:
+molecules = pybel.readfile("sdf","demo.sdf")
+
+
+# Convert to a list of molecules:
+moleculeList = []
+for item in molecules:
+    moleculeList.append(item)
+    
+# Prepare a dataframe:
+data = pd.DataFrame({'Molecules':["molecule "+str(i) for i in range(len(moleculeList))]})
+
+col1, col2 = st.columns(2)
+
+with col1:
+    # Show table and get user selected cell:
+    selectedCell = st_table_select_cell(data)
+    if selectedCell != False:
+        
+        # Visualize a molecule using a temporary file:
+        file = tempfile.NamedTemporaryFile(suffix = ".png", delete = True)
+        
+        st.write(str("temporary file name is " + file.name))
+        
+        moleculeList[int(selectedCell["rowId"])].draw(show = False, filename = file.name)
+        
+        st.image(file.name, caption="Visualization")
+        
+with col2:
+    st.write("Select a subgraph:")
+    
+    st.write("To be done.")