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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…
PhyloFrame is a Python library for phylogenetic computation targeting the gap between specialist, compiler-optimized operations and flexible, script-based workflows -- with emphasis on fast, memory-efficient operations for very large tree…
The growth of large, programatically accessible bibliometrics databases presents new opportunities for complex analyses of publication metadata. In addition to providing a wealth of information about authors and institutions, databases such…
This paper describes HyperStream, a large-scale, flexible and robust software package, written in the Python language, for processing streaming data with workflow creation capabilities. HyperStream overcomes the limitations of other…
The study of trajectories is often a core task in several research fields. In environmental modelling, trajectories are crucial to study fluid pollution, animal migrations, oil slick patterns or land movements. In this contribution, we…
Replicability in machine learning (ML) research is increasingly concerning due to the utilization of complex non-deterministic algorithms and the dependence on numerous hyper-parameter choices, such as model architecture and training…
Background: The study of genome-scale metabolic models and their underlying networks is one of the most important fields in systems biology. The complexity of these models and their description makes the use of computational tools an…
ergodicity is an open-source Python library for computational work on stochastic dynamics, with particular emphasis on non-ergodicity, time-average behavior, heavy-tailed processes, and decision making under uncertainty. The package brings…
Today, artificial intelligence systems driven by machine learning algorithms can be in a position to take important, and sometimes legally binding, decisions about our everyday lives. In many cases, however, these systems and their actions…
The accelerating pace of research on autoregressive generative models has produced thousands of papers, making manual literature surveys and reproduction studies increasingly impractical. We present a fully open-source, reproducible…
Cloud platforms allow users to execute tasks directly from their web browser and are a key enabling technology not only for commerce but also for computational science. Research software is often developed by scientists with limited…
Scientific computing libraries, either being in-house or open-source, have experienced enormous progress in both engineering and scientific research. It is therefore essential to ensure that the modifications in the source code aroused by…
Library migration is a common but error-prone task in software development. Developers may need to replace one library with another due to reasons like changing requirements or licensing changes. Migration typically entails updating and…
Computer simulations are an essential pillar of knowledge generation in science. Exploring, understanding, reproducing, and sharing the results of simulations relies on tracking and organizing the metadata describing the numerical…
Python has become a standard scientific computing language with fast-growing support of machine learning and data analysis modules, as well as an increasing usage of big data. The Dynamic Distributed Dimensional Data Model (D4M) offers a…
This document contains the mathematical introduction to RORPack - a Python software library for robust output tracking and disturbance rejection for linear PDE systems. The RORPack library is open-source and freely available at…
The growing popularity of generative flow networks (GFlowNets or GFNs) from a range of researchers with diverse backgrounds and areas of expertise necessitates a library that facilitates the testing of new features (e.g., training losses…
The study of research trends is pivotal for understanding scientific development on specific topics. Traditionally, this involves keyword analysis within scholarly literature, yet comprehensive tools for such analysis are scarce, especially…
As data are generated more and more from multiple disparate sources, multiview data sets, where each sample has features in distinct views, have ballooned in recent years. However, no comprehensive package exists that enables…
Major advancements in fields as diverse as biology and quantum computing have relied on a multitude of microscopic techniques. All optical, electron and scanning probe microscopy advanced with new detector technologies and integration of…