A fully featured ASE calculator for the xTB code. It is maintained by the Rosen Research Group at Princeton University.
The xtb package is an excellent program that provides unified access to various extended tight-binding quantum chemistry methods.
There are several pre-existing Pythonic interfaces to the xTB suite of methods. The most notable include tblite and the now-deprecated xtb-python. However, these interfaces do not provide full access to all the functionality of xtb, making their utility somewhat limited.
The xtb_ase package aims to provide a fully featured Atomic Simulation Environment (ASE) calculator for xtb. The xtb_ase package calls the xtb executable directly, uses cclib for the output parsing, and uses Jinja for the input file templating. This combination enables a lightweight and flexible interface to xtb that is fully compatible with the ASE framework.
xtb_ase is released under a BSD 3-Clause license.