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We introduce the \texttt{pyunicorn} (Pythonic unified complex network and recurrence analysis toolbox) open source software package for applying and combining modern methods of data analysis and modeling from complex network theory and…
We introduce NetworKit, an open-source software package for analyzing the structure of large complex networks. Appropriate algorithmic solutions are required to handle increasingly common large graph data sets containing up to billions of…
We present KITE, a general purpose open-source tight-binding software for accurate real-space simulations of electronic structure and quantum transport properties of large-scale molecular and condensed systems with tens of billions of…
Simulation is a foundational tool for the analysis and testing of cyber-physical systems (CPS), underpinning activities such as algorithm development, runtime monitoring, and system verification. As CPS grow in complexity and scale,…
Engineers and computational scientists often study the behavior of their simulations by repeated solutions with variations in their parameters, which can be for instance boundary values or initial conditions. Through such simulation…
This work introduces a novel Augmented Reality (AR) approach to visualize material data alongside real objects in order to facilitate detailed material analyses based on spatial non-destructive testing (NDT) data as generated in X-ray…
The modeling and analysis generic interface for external numerical codes (MAGIX) is a model optimizer developed under the framework of the coherent set of astrophysical tools for spectroscopy (CATS) project. The MAGIX package provides a…
This paper presents a toolkit for spreadsheet visualization based on logical areas, semantic classes and data modules. Logical areas, semantic classes and data modules are abstract representations of spreadsheet programs that are meant to…
Distributed, large-scale quantum computing will need architectures that combine matter-based qubits with photonic links, but today's software stacks target either gate-based chips or linear-optical devices in isolation. We introduce Optyx,…
Automated searches for strong gravitational lensing in optical imaging survey datasets often employ machine learning and deep learning approaches. These techniques require more example systems to train the algorithms than have presently…
We report on the implementation of a tool for the analysis of second-order elastic stiffness tensors, provided with both an open-source Python module and a standalone online application providing visualization tools of anisotropic…
The use of classical computers to simulate quantum computing has been successful in aiding the study of quantum algorithms and circuits that are too complex to examine analytically. Current implementations of quantum computing simulators…
Multiplexed imaging data are revolutionizing our understanding of the composition and organization of tissues and tumors. A critical aspect of such tissue profiling is quantifying the spatial relationship relationships among cells at…
pyspeckit is a toolkit and library for spectroscopic analysis in Python. We describe the pyspeckit package and highlight some of its capabilities, such as interactively fitting a model to data, akin to the historically widely-used splot…
Astroinformatics is a new impact area in the world of astronomy, occasionally called the final frontier, where several astrophysicists, statisticians and computer scientists work together to tackle various data intensive astronomical…
We present FORECAST, a new flexible and adaptable software package that performs forward modeling of the output of any cosmological hydrodynamical simulations to create a wide range of realistic synthetic astronomical images. With…
We introduce the Theoretical Astrophysical Observatory (TAO), an online virtual laboratory that houses mock observations of galaxy survey data. Such mocks have become an integral part of the modern analysis pipeline. However, building them…
Software visualization helps to comprehend the system by providing a vivid illustration. The developers, as well as the analysts, can have a glance over the total system to understand the basic changes over time from a high-level point of…
Multiscale and multiphysics applications are now commonplace, and many researchers focus on combining existing models to construct combined multiscale models. Here we present a concise review of multiscale applications and their source…
Cloud computing offers an opportunity to run compute-resource intensive climate models at scale by parallelising model runs such that datasets useful to the exoplanet community can be produced efficiently. To better understand the…