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.