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The Simulation Environment for Atomistic and Molecular Modeling (SEAMM) is an open-source software package written in Python that provides a graphical interface for setting up, executing, and analyzing molecular and materials simulations.…
The Institute for Solid State Physics (ISSP) at The University of Tokyo has been carrying out a software development project named ``the Project for Advancement of Software Usability in Materials Science (PASUMS)". Since the launch of…
We describe in this paper a new, public software for accurate "PSF-matched" multiband photometry for images of different resolution and depth, that we have named ConvPhot, of which we analyse performances and limitations. It is designed to…
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…
HEP-Frame is a new C++ package designed to efficiently perform analyses of data sets from a very large number of events, like those available at the Large Hadron Collider (LHC) at CERN, Geneva. It mainly targets high performance servers and…
High-level programming languages play a key role in a growing number of networking platforms, streamlining application development and enabling precise formal reasoning about network behavior. Unfortunately, current compilers only handle…
This paper reports on the scientific pipeline for the analysis of the ECLAIRs data of the SVOM mission. We describe the overall procedure, the different steps and the main algorithms of the data analysis for this hard X-ray coded mask…
We present GASV, a novel Python-based software package specifically designed for the analysis of Very Long Baseline Interferometry (VLBI) data. Developed with ease of installation and user friendliness in mind, GASV supports both pipeline…
WebAssembly (Wasm) has become a key compilation target for portable and efficient execution across diverse platforms. Benchmarking its performance, however, is a multi-dimensional challenge: it depends not only on the choice of runtime…
Developing an efficient method to accelerate the speed of molecular dynamics is a central theme in the field of molecular simulation. One category among the methods are collective-variable-based methods, which rely on predefined collective…
Memory profiling captures programs' dynamic memory behavior, assisting programmers in debugging, tuning, and enabling advanced compiler optimizations like speculation-based automatic parallelization. As each use case demands its unique…
We present a convenient, all-in-one framework for the scientific analysis of fully reduced, (integral-field) spectroscopic data. The GIST pipeline (Galaxy IFU Spectroscopy Tool) is entirely written in Python3 and conducts all steps from the…
The present article describes the development of a software which was written in visual basic programming language. The software calculates the particle collection efficiency and penetration of a fibrous filter medium for given values of…
We introduce the Contour Analysis Tool (CAT), a Python toolkit aimed at identifying and analyzing structural elements in density maps. CAT employs various contouring techniques, including the lowest-closed contour (LCC), linear and…
A new molecular simulation toolkit composed of some lately developed force fields and specified models is presented to study the self-assembly, phase transition, and other properties of polymeric systems at mesoscopic scale by utilizing the…
The analysis of experimental results with Python often requires writing many code scripts which all need access to the same set of functions. In a common field of research, this set will be nearly the same for many users. The qspec Python…
In this paper I describe the visualization toolkit Sator, which is designed to read, analyze and visualize simulation data of the moving-mesh code Arepo. It is written in Python and employs a graphical user interface based on the Tkinter…
Complex computer codes are widely used in science to model physical systems. Sensitivity analysis aims to measure the contributions of the inputs on the code output variability. An efficient tool to perform such analysis are the…
We present a web-based software tool, the Virtual Quantum Optics Laboratory (VQOL), that may be used for designing and executing realistic simulations of quantum optics experiments. A graphical user interface allows one to rapidly build and…
Analyzing large-scale graphs provides valuable insights in different application scenarios. While many graph processing systems working on top of distributed infrastructures have been proposed to deal with big graphs, the tasks of profiling…