httk quickstart

Install

Install the httk2 metapackage from PyPI:

pip install httk2

This installs the complete standard set of httk₂ modules with their recommended default features. We recommend installing into a virtual environment; see the installation section on the front page for step-by-step instructions with venv, uv, or conda.

Try it out

• Quickstarts covering specific functionalities are available for working with:

  • Atomic structures (i.e., crystal structures / slabs / molecules)
  • Vectors
  • Databases
  • The OPTIMADE client
  • UI and websites

• The full documentation includes example notebooks and a step-by-step tutorial.