Video Tutorials

Below is a list of video tutorials made by Andrew Tarzia, which provide a thorough introduction to stk.

Basics of stk

Video 1 is an overview of the 2021 publication covering the capability of stk and the docs of stk. The Jupyter notebook is available here.

Functional Groups in stk

Video 2 is an overview of defining FunctionalGroup instances in stk. It includes an example of the versatility of stk for unique problems. The Jupyter notebook is available here.

Cage Building

Video 3 is an overview of organic and metal-organic cage construction in stk. This example covers how stk handles isomerism and the concept of hierarchical construction. The Jupyter notebook is available here.

Hierarchical Construction with stk

Video 4 expands on the use of hierarchical construction in stk. It includes an implementation of the example from the 2021 publication and the construction of a rotaxane/cage hybrid! The Jupyter notebbok is available here.

Using stko with stk

Video 5 shows the usage of the stko package to optimize and calculate the properties of stk molecules. The Jupyter notebook is available here.

Databases and stk-vis in stk

Video 6 is a short introduction to databasing and the use of StkVis with stk molecules! The Jupyter notebook is available here.

Host-Guest Conformers with stk

Video 7 shows an example of the generation of stk host-guest complexes using the software SpinDry. The Jupyter notebook is available here.