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The Python package pylimer-tools is a comprehensive toolkit for computational studies of polymer networks, particularly bead-spring networks. The package provides functionality to generate polymer networks using Monte Carlo (MC) procedures…
QwaveMPS is an open-source Python library for simulating one-dimensional quantum many-body waveguide systems using matrix product states (MPS). It provides a user-friendly interface for constructing, evolving, and analyzing quantum states…
The software project kdotpy provides a Python application for simulating electronic band structures of semiconductor devices with $\mathbf{k}\cdot\mathbf{p}$ theory on a lattice. The application implements the widely used Kane model,…
Spectroscopy is a central pillar of materials characterization, providing useful information on properties like structure, composition, or excited state dynamics of a system. However, many spectroscopic techniques present challenges in…
Discrete Combinatorial Problems (DCPs) are prevalent in industrial decision-making and optimisation. However, while constraint solving technologies for DCPs have advanced significantly, the core process of formalising them, namely…
Despite the prevalence of symmetry in scientific linear systems, these structural properties are often underutilized by standard computational software. This paper introduces PySymmetry, an open-source Sage/Python framework that implements…
Computational methods are driving high impact microscopy techniques such as ptychography. However, the design and implementation of new algorithms is often a laborious process, as many parts of the code are written in close-to-the-hardware…
SpectraPy is an Astropy affiliated package for spectroscopic data reduction. It collects algorithms and methods for data reduction of astronomical spectra obtained by through-slits spectrographs. It has been created to fill the gap in…
Calibration of individual based models (IBMs), successful in modeling complex ecological dynamical systems, is often performed only ad-hoc. Bayesian inference can be used for both parameter estimation and uncertainty quantification, but its…
Flexible piezoelectric devices made of polymeric materials are widely used for micro- and nano-electro-mechanical systems. In particular, numerous recent applications concern energy harvesting. Due to the importance of computational…
Bayesian models of cognition have gained considerable traction in computational neuroscience and psychiatry. Their scopes are now expected to expand rapidly to artificial intelligence, providing general inference frameworks to support…
IntLevPy provides a comprehensive description of the IntLevPy Package, a Python library designed for simulating and analyzing intermittent and L\'evy processes. The package includes functionalities for process simulation, including full…
Python is widely used in the open-source community, largely owing to the extensive support from diverse third-party libraries within the PyPI ecosystem. Nevertheless, the utilization of third-party libraries can potentially lead to…
We introduce PyText - a deep learning based NLP modeling framework built on PyTorch. PyText addresses the often-conflicting requirements of enabling rapid experimentation and of serving models at scale. It achieves this by providing simple…
The increasing importance of Computational Science and Engineering has highlighted the need for high-quality scientific software. However, research software development is often hindered by limited funding, time, staffing, and technical…
CurvPy is an open-source Python library for automated curve fitting and regression analysis, aiming to make advanced statistical and machine learning techniques more accessible. This paper explores the mathematical foundations and…
The Python Battery Optimisation and Parameterisation (PyBOP) package provides methods for estimating and optimising battery model parameters, offering both deterministic and stochastic approaches with example workflows to assist users.…
The next technological breakthrough in millimeter-submillimeter astronomy is 3D imaging spectrometry with wide instantaneous spectral bandwidths and wide fields of view. The total optimization of the focal-plane instrument, the telescope,…
Open-source software (OSS) dependencies introduce systemic risks that are difficult to manage at scale. Existing Software Composition Analysis (SCA) and reachability tools generate severe alert fatigue by treating risk as an intrinsic…
Understanding how the brain functions is one of the biggest challenges of our time. The analysis of experimentally recorded neural firing patterns (spike trains) plays a crucial role in addressing this problem. Here, the PySpike library is…