Home

Awesome

tequila-tutorials

This repository functions as a tutorial collection for tequila.
Feel free to contribute your own! (see below)

Check out this small overview to get a glimpse on what tequila is,
or, get an overview through different slides and recordings of talks on different level of detail: See here.
Find the original tequila codebase here.

It's recommended to start with BasicUsage and take a look at FAQ.

The other tutorials are sorted into different directories depending on what they represent:

  1. Main Directory: Basic Usage and Data Structures
  1. Chemistry Directory: Tutorials on the supported chemistry modules (pyscf, psi4, madness) and applications
  2. Research Directory: Tutorial collection on published research projects with tequila
  3. Other Directory: Other features, applications, examples

Install tequila

Easiest is to pip install from github:

pip install git+https://github.com/aspuru-guzik-group/tequila.git

Do not install over PyPi (Minecraft lovers excluded)
<strike>pip install tequila</strike>

See the main repository for information.

Research projects with example code:

See the main repo for an extensive list.

Let us know, if you want your research project and/or tutorial to be included in this list!

How to add your own tutorial/demonstration

If you want to make your own tutorial or write a small notebook highlighting some of your research with tequila, here is how it works:

How to contribute to tequila's core library

Similar procedure. Please check the main reposiory.