diff --git a/metainfo.json b/metainfo.json index 975940546d64fd0312897e2d217f2e142c0a3c1d..fa48945e127fb0e00cc8e1067983398166114b54 100644 --- a/metainfo.json +++ b/metainfo.json @@ -6,6 +6,7 @@ "email": "gc121@cam.ac.uk", "title": "Machine learning atomic charges", "description": "In this tutorial, we will use Gaussian process regression, GPR (or equivalently, Kernel Ridge Regression, KRR) to train and predict charges on atoms in small organic molecules.", + "notebook_name": "soap_atomic_charges.ipynb", "url": "https://gitlab.mpcdf.mpg.de/nomad-lab/analytics-soap-atomic-charges", "link": "https://analytics-toolkit.nomad-coe.eu/hub/user-redirect/notebooks/tutorials/soap_atomic_charges.ipynb", "link_public": "https://analytics-toolkit.nomad-coe.eu/public/user-redirect/notebooks/tutorials/soap_atomic_charges.ipynb",