only pass max_mols to Draw.MolsToGridImage when in an IPython display

datamol/viz/_viz.py

@@ -3,6 +3,7 @@
 from typing import Tuple
 from typing import Optional
 from typing import Any
+from IPython.core.getipython import get_ipython
 
 from rdkit.Chem import Draw
 
@@ -120,18 +121,27 @@ def to_image(
         else:
             _kwargs[k] = v
 
-    image = Draw.MolsToGridImage(
-        mols,
-        legends=legends,
-        molsPerRow=n_cols,
-        useSVG=use_svg,
-        subImgSize=mol_size,
-        highlightAtomLists=_highlight_atom,
-        highlightBondLists=_highlight_bond,
-        drawOptions=draw_options,
-        maxMols=max_mols,
+    # Check if we are in a Jupyter notebook or IPython display context
+    in_notebook = get_ipython() is not None
+
+    # Create a dictionary of arguments for the MolsToGridImage function
+    draw_args = {
+        "mols": mols,
+        "legends": legends,
+        "molsPerRow": n_cols,
+        "useSVG": use_svg,
+        "subImgSize": mol_size,
+        "highlightAtomLists": _highlight_atom,
+        "highlightBondLists": _highlight_bond,
+        "drawOptions": draw_options,
         **_kwargs,
-    )
+    }
+
+    # Conditionally add the maxMols argument if in a notebook
+    if in_notebook:
+        draw_args["maxMols"] = max_mols
+
+    image = Draw.MolsToGridImage(**draw_args)
 
     if outfile is not None:
         image_to_file(image, outfile, as_svg=use_svg)