InQuanto-Extensions

Several interfaces to third-party chemistry programs are available for InQuanto, known as InQuanto extensions.

Currently, these extensions consist of:

• InQuanto-PySCF : utilizes the PySCF library for advanced quantum chemistry simulations and analysis.

• InQuanto-NGLView : seamlessly integrates with the NGLView Jupyter widget, providing an interactive platform for molecular visualization within the context of quantum chemistry simulations.

• InQuanto-Phayes : provides an interface to the Phayes package, streamlining Bayesian quantum phase estimation with a focus on one specific flavor.

These extensions collectively contribute to the comprehensive capabilities of InQuanto, offering users enhanced tools for quantum chemistry research, interactive molecular visualization, and specialized Bayesian quantum phase estimation tasks.