The Nexus User Guide#

Release:: 2.3.9
Date:: Jul 08, 2026

Helpful Links: GitHub | Report an Issue

The Nexus Python package provides both basic and advanced tooling for running calculations on supercomputing clusters for several density functional theory (DFT) and wavefunction theory (WFT) programs, as well as for driving QMCPACK calculations.

Getting Started

New user guide for Nexus

To the User Guide

API Documentation

API Documentation for Nexus

To the API Docs

Extra Reading

Recommended reading for those who are new to Python or QMC practice.

To the Extra Reading

Contributing to Nexus

Guidelines for those who wish to contribute to Nexus

To the Contributor Guide

Supported Code APIs#