Introduction

Welcome to the Nexus-CAT Python package documentation. Nexus-CAT is a Cluster Analysis Toolkit designed for analyzing clusters in atomistic simulation data, with a strong focus on percolation theory.

It is particularly well-suited for researchers working with molecular dynamics (MD) or Monte Carlo (MC) simulations who need to characterize clusters, aggregates, and networks in disordered materials such as glasses and amorphous solids.

Project Goals

The goal of Nexus-CAT is to provide a user-friendly, efficient, and flexible toolkit for researchers working with trajectories of various systems. It supports multiple clustering strategies for analyzing different systems and cluster connectivities, and provides a comprehensive set of percolation and structural analysis metrics.

For a detailed overview of available clustering strategies and analysis tools, see the Features page.

For more details, visit the GitHub repository.