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We present a publicly accessible database designed to aid in the conception, training, demonstration, evaluation, and comparison of reduced-complexity models for fluid mechanics. Availability of high-quality flow data is essential for all…
PyArmadillo is a linear algebra library for the Python language, with the aim of closely mirroring the programming interface of the widely used Armadillo C++ library, which in turn is deliberately similar to Matlab. PyArmadillo hence…
Raman spectroscopy is a non-destructive and label-free chemical analysis technique, which plays a key role in the analysis and discovery cycle of various branches of science. Nonetheless, progress in Raman spectroscopic analysis is still…
We develop a Python-based open-source package to analyze the results stemming from ab initio molecular-dynamics simulations of fluids. The package is best suited for applications on natural systems, like silicate and oxide melts,…
This work addresses the challenge of analyzing geometric structures using Kendall's 3D Shape Space. While Riemannian geometry provides a robust framework for shape analysis (independent of scale, position, and orientation) the transition…
Pandas is defined as a software library which is used for data analysis in Python programming language. As pandas is a fast, easy and open source data analysis tool, it is rapidly used in different software engineering projects like…
Tangelo [link: https://github.com/goodchemistryco/Tangelo] is an open-source Python software package for the development of end-to-end chemistry workflows on quantum computers, released under Apache 2.0 license. It aims to support the…
relentless is an open-source Python package that enables the optimization of objective functions computed using molecular dynamics simulations. It has a high-level, extensible interface for model parametrization; setting up, running, and…
In recent years, numerical simulations have become indispensable for addressing complex astrophysical problems. The MagnetoHydroDynamics (MHD) framework represents a key tool for investigating the dynamical evolution of astrophysical…
Open-source process mining provides many algorithms for the analysis of event data which could be used to analyze mainstream processes (e.g., O2C, P2P, CRM). However, compared to commercial tools, they lack the performance and struggle to…
Pattern-based file access is a fundamental but often under-documented aspect of computational research. The Python glob module provides a simple yet powerful way to search, filter, and ingest files using wildcard patterns, enabling scalable…
Nowadays, many scientific areas share the same broad requirements of being able to deal with massive and distributed datasets while, when possible, being integrated with services and applications. In order to solve the growing gap between…
Inversions of airborne EM data are often an iterative process, not only requiring that the researcher be able to explore the impact of changing components such as the choice of regularization functional or model parameterization, but also…
Background and Objective: Deep learning enables tremendous progress in medical image analysis. One driving force of this progress are open-source frameworks like TensorFlow and PyTorch. However, these frameworks rarely address issues…
Laboratory scientists are well equipped with statistical tools for univariate data, yet many phenomena of scientific interest are time-variant or otherwise multidimensional. Functional data analysis is one way of approaching such data: by…
I present version 5.0 of FRELLED, the FITS Realtime Explorer of Low Latency in Every Dimension. This is a 3D data visualisation package for the popular Blender art software, designed to allow inspection of astronomical volumetric data sets…
In recent years, we have witnessed the growing interest from academia and industry in applying data science technologies to analyze large amounts of data. In this process, a myriad of artifacts (datasets, pipeline scripts, etc.) are…
We present Paicos, a new object-oriented Python package for analyzing simulations performed with Arepo. Paicos strives to reduce the learning curve for students and researchers getting started with Arepo simulations. As such, Paicos…
Despite being the most popular programming language, Python has not yet received enough attention from the community. To the best of our knowledge, there is no general static analysis framework proposed to facilitate the implementation of…
We present the public data release of halo and galaxy catalogues extracted from the EAGLE suite of cosmological hydrodynamical simulations of galaxy formation. These simulations were performed with an enhanced version of the GADGET code…