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We report on recent improvements to the free logic education software tool GNU Aris, including the latest features added during the Google Summer of Code 2023 project. We focused on making GNU Aris a web application to enable almost all…
Driven by the unprecedented computational power available to scientific research, the use of computers in solid-state physics, chemistry and materials science has been on a continuous rise. This review focuses on the software used for the…
This chapter describes how astronomical imaging survey data have become a vital part of modern astronomy, how these data are archived and then served to the astronomical community through on-line data access portals. The Virtual…
In this manuscript, we propose to expand the use of scientific repositories such as Zenodo and HEP Data, in particular in order to better examine multi-parametric solutions of physical models. The implementation of interactive web-based…
"Computational experiments" use code and interactive visualizations to convey mathematical and physical concepts in an intuitive way, and are increasingly used to support ex cathedra lecturing in scientific and engineering disciplines.…
ALMA is estimated to generate TB scale data during only one observation; astronomers manage to identify which part of the data they are really interested in. Now we have been developing new GUI software for this purpose utilizing the VO…
The artifact used for evaluating the experimental results of Measuring and Mitigating Gaps in Structural Testing is publicly available on GitHub, Software Heritage and figshare, and is reusable. The artifact consists of necessary data,…
We present the first attempts to build a user-friendly interface for the Virtual Observatory of the University of Guanajuato. The data tables will be accessible to the public through PHP scripts and SQL database managers, such as MySQL and…
We propose the first workshop on Building Innovative Research Systems for Digital Libraries (BIRDS) to take place at TPDL 2025 as a full-day workshop. BIRDS addresses practitioners working in digital libraries and GLAMs as well as…
This EPTCS volume contains the joint proceedings for the fourth international workshop on Formal Methods for Autonomous Systems (FMAS 2022) and the fourth international workshop on Automated and verifiable Software sYstem DEvelopment (ASYDE…
Converting peptide sequences into useful representations for downstream analysis is a common step in computational modeling and cheminformatics. Furthermore, peptide drugs (e.g., Semaglutide, Degarelix) often take advantage of the diverse…
An accurate treatment of the structures and dynamics that lead to enhanced chemical reactivity in enzymes requires explicit treatment of both electronic and nuclear quantum effects. The former can be captured in ab initio molecular dynamics…
In this work, we present a methodology and a corresponding code-base for constructing mock integral field spectrograph (IFS) observations of simulated galaxies in a consistent and reproducible way. Such methods are necessary to improve the…
Youpi stands for "YOUpi is your processing PIpeline". It is a portable, easy to use web application providing high level functionalities to perform data reduction on scientific FITS images. It is built on top of open source processing tools…
Intrusion Detection System (IDS) is one of the security measures being used as an additional defence mechanism to prevent the security breaches on web. It has been well known methodology for detecting network-based attacks but still…
CHEMSMART (Chemistry Simulation and Modeling Automation Toolkit) is an open-source, Python-based framework designed to streamline quantum chemistry workflows for homogeneous catalysis and molecular modeling. By integrating job preparation,…
PolyMAPS is an open-source library that helps researchers to initialize LAMMPS molecular dynamics simulations. It introduces an integrated workflow by combining preparation, launching, visualization, and analysis into a single Jupyter…
Materials science literature contains millions of materials synthesis procedures described in unstructured natural language text. Large-scale analysis of these synthesis procedures would facilitate deeper scientific understanding of…
Simulation tools are playing an increasingly important role in materials science and engineering and beyond their well established importance in research and development, these tools have a significant pedagogical potential. We describe a…
While many students now interact with web apps across a variety of smart devices, the vast majority of our Nifty Assignments still present traditional user interfaces such as console input/output and desktop GUI. In this tutorial session,…