Tutorials

Creating a Database

Creating a database on a Jupyter Notebook!

Creating a QMModel: Fitting the Model and Predicting

Fitting the model on a Jupyter Notebook!

Using a QMModel: Performing Geometry Optimization

Predicting chemical properties on a Jupyter Notebook!

Video Tutorials

QMLearn Installation

Code Architecture

Creating a Database

Creating a QMModel: Fitting the Model and Predicting

Using a QMModel: Performing Geometry Optimization