unifying colab and local

molsim_ml.ipynb

@@ -32,6 +32,30 @@
     "You can execute all the following code cells by pressing SHIFT and ENTER, you can find more tips in the notes. "
    ]
   },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "## -1. Only if you run on Colab"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "If you use this notebook on Colab, you have to do some additional preparatory steps. For this uncomment the cell below (remove the `#`) and execute the cell."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "#!pip install --upgrade pandas pandas-profiling sklearn holoviews bokeh plotly matplotlib\n",
+    "#!wget https://raw.githubusercontent.com/kjappelbaum/ml_molsim2020/master/descriptornames.py"
+   ]
+  },
   {
    "cell_type": "markdown",
    "metadata": {},