Update notebook

examples/route-scoring/route-scoring.ipynb

@@ -11,6 +11,17 @@
     "[Yujia G, Kabeshov M, Le THD, Genheden S, Bergonzini G, Engkvist O, et al. A Deep Learning with Expert Augmentation Approach for Route Scoring in Organic Synthesis. ChemRxiv. 2024; doi:10.26434/chemrxiv-2024-tp7rh](http://doi.org/10.26434/chemrxiv-2024-tp7rh)"
    ]
   },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "#@title Installation -- Run this cell to install rnxutils\n",
+    "\n",
+    "!pip install reaction-utils[models]"
+   ]
+  },
   {
    "cell_type": "code",
    "execution_count": null,
@@ -30,7 +41,7 @@
    "cell_type": "markdown",
    "metadata": {},
    "source": [
-    "Download model artifacts from Zenodo"
+    "Download model artifacts from Zenodo, and example routes from Github"
    ]
   },
   {
@@ -41,14 +52,15 @@
    "source": [
     "!wget https://zenodo.org/records/14533779/files/deepset_route_scoring_sdf.onnx?download=1 -O deepset_route_scoring_sdf.onnx\n",
     "!wget https://zenodo.org/records/14533779/files/reaction_class_ranks.csv?download=1 -O reaction_class_ranks.csv\n",
-    "!wget https://zenodo.org/records/14533779/files/scscore_model_1024_bits.onnx?download=1 -O scscore_model_1024_bits.onnx"
+    "!wget https://zenodo.org/records/14533779/files/scscore_model_1024_bits.onnx?download=1 -O scscore_model_1024_bits.onnx\n",
+    "!wget https://raw.githubusercontent.com/MolecularAI/reaction_utils/refs/heads/route-scoring-example/examples/route-scoring/example-routes.json"
    ]
   },
   {
    "cell_type": "markdown",
    "metadata": {},
    "source": [
-    "Will read example routes from disc"
+    "Will read example routes from disc and display them"
    ]
   },
   {
@@ -58,7 +70,7 @@
    "outputs": [],
    "source": [
     "dicts = json.load(open(\"example-routes.json\", \"r\"))\n",
-    "routes = [SynthesisRoute(dict_) for dict_ in dicts]\n"
+    "routes = [SynthesisRoute(dict_) for dict_ in dicts]"
    ]
   },
   {