update new notebook

examples/graph_exploration.ipynb

@@ -689,7 +689,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "3977fb73",
+   "id": "b9ed2135",
    "metadata": {},
    "source": [
     "Very similarly, we can send the model to an MLIAPInterface for the LAMMPS molecular dynamics code, which is very useful for highly parallel simulations."
@@ -901,16 +901,18 @@
   },
   {
    "cell_type": "markdown",
-   "id": "214056a6",
+   "id": "651589d4",
    "metadata": {},
    "source": [
     "The features above can be intermixed, for example, building an ASE calculator using the ensemble module."
    ]
   },
   {
-   "cell_type": "markdown",
-   "id": "d6e9549a",
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "cd193b24",
    "metadata": {},
+   "outputs": [],
    "source": [
     "from hippynn.interfaces.ase_interface import HippynnCalculator"
    ]
@@ -922,14 +924,16 @@
    "metadata": {},
    "outputs": [],
    "source": [
-    "ensemble_calculator =HippynnCalculator(ensemble_T.mean)"
+    "ensemble_calculator = HippynnCalculator(ensemble_T.mean)"
    ]
   },
   {
    "cell_type": "code",
    "execution_count": null,
    "id": "cde6addd",
-   "metadata": {},
+   "metadata": {
+    "scrolled": false
+   },
    "outputs": [],
    "source": [
     "visualize_graph_module(ensemble_calculator.module)"