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The dynamic mode decomposition (DMD) is a simple and powerful data-driven modeling technique that is capable of revealing coherent spatiotemporal patterns from data. The method's linear algebra-based formulation additionally allows for a…
The usage of the high-level scripting language Python has enabled new mechanisms for data interrogation, discovery and visualization of scientific data. We present yt, an open source, community-developed astrophysical analysis and…
In this article we report the release of a new program for batch processing and visualization of powder diffraction data. The program, which is free-of-charge for non-commercial use and can be obtained with its detailed documentation from…
We describe a numerical technique and accompanying open-source Python software package called RydIQule. RydIQule uses a directional graph, relying on adjacency matrices and path-finding to generate a Hamiltonian for multi-level atomic…
Open science is a fundamental pillar to promote scientific progress and collaboration, based on the principles of open data, open source and open access. However, the requirements for publishing and sharing open data are in many cases…
PySPH is an open-source, Python-based, framework for particle methods in general and Smoothed Particle Hydrodynamics (SPH) in particular. PySPH allows a user to define a complete SPH simulation using pure Python. High-performance code is…
BondGraphTools is a Python library for scripted modelling of complex multi-physics systems. In contrast to existing modelling solutions, BondGraphTools is based upon the well established bond graph methodology, provides a programming…
Tremendous advances in parallel computing and graphics hardware opened up several novel real-time GPU applications in the fields of computer vision, computer graphics as well as augmented reality (AR) and virtual reality (VR). Although…
Just like the scientific data they generate, simulation workflows for research should be findable, accessible, interoperable, and reusable (FAIR). However, while significant progress has been made towards FAIR data, the majority of science…
This paper introduces $\textit{arfpy}$, a python implementation of Adversarial Random Forests (ARF) (Watson et al., 2023), which is a lightweight procedure for synthesizing new data that resembles some given data. The software…
Literate programming - the bringing together of program code and natural language narratives - has become a ubiquitous approach in the realm of data science. This methodology is appealing as well for the domain of Density Functional Theory…
We present ByzFL, an open-source Python library for developing and benchmarking robust federated learning (FL) algorithms. ByzFL provides a unified and extensible framework that includes implementations of state-of-the-art robust…
pyGDM is a python toolkit for electro-dynamical simulations in nano-optics based on the Green Dyadic Method (GDM). In contrast to most other coupled-dipole codes, pyGDM uses a generalized propagator, which allows to cost-efficiently solve…
ScopeSim is a flexible multipurpose instrument data simulation framework built in Python. It enables both raw and reduced observation data to be simulated for a wide range of telescopes and instruments quickly and efficiently on a personal…
Geospatial data analysis plays a crucial role in tackling intricate societal challenges such as urban planning and climate modeling. However, employing tools like GeoPandas, a prominent Python library for geospatial data manipulation,…
The Dragonfly network, with its high-radix and low-diameter structure, is a leading interconnect in high-performance computing. A major challenge is workload interference on shared network links. Parallel discrete event simulation (PDES) is…
MADlib is a free, open source library of in-database analytic methods. It provides an evolving suite of SQL-based algorithms for machine learning, data mining and statistics that run at scale within a database engine, with no need for data…
Fermipy is an open-source python framework that facilitates analysis of data collected by the Fermi Large Area Telescope (LAT). Fermipy is built on the Fermi Science Tools, the publicly available software suite provided by NASA for the LAT…
In this paper, we present the High Energy Physics data format, processing toolset and analysis library a4, providing fast I/O of structured data using the Google protocol buffer library. The overall goal of a4 is to provide physicists with…
We present a newly developed software package which implements a wide range of routines frequently used in Weak Gravitational Lensing (WL). With the continuously increasing size of the WL scientific community we feel that easy to use…