qml-tutorial-forces

Tutorial for training on atomistic forces and running molecular dynamics

Setup

Included is a Makefile for setting up local enviroment and download the training data

make setup

and that should setup local python enviroment and data. Then you just need to open the jupyter and start reading

make notebook

and open tutorial.ipynb file

Source code

in the tutorial folder is the support code and standalone example of you want to just cut to the source