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Computer simulation has become one of the most important tools in scientific research in many disciplines. Benefiting from the dynamical trajectories regulated by versatile interatomic interactions, various material properties can be…
The current fleet of X-ray telescopes produces a wealth of multi-dimensional data, allowing us to study sources in time, photon energy and polarization. At the same time, it has become increasingly clear that progress in our physical…
TenCirChem is an open-source Python library for simulating variational quantum algorithms for quantum computational chemistry. TenCirChem shows high performance on the simulation of unitary coupled-cluster circuits, using compact…
Pyqcm is a Python/C++ library that implements a few quantum cluster methods with an exact diagonalization impurity solver. Quantum cluster methods are used in the study of strongly correlated electrons to provide an approximate solution to…
Radio astronomy observatories with high throughput back end instruments require real-time data processing. While computing hardware continues to advance rapidly, development of real-time processing pipelines remains difficult and…
ruptures is a Python library for offline change point detection. This package provides methods for the analysis and segmentation of non-stationary signals. Implemented algorithms include exact and approximate detection for various…
We present the Python Tree Tensor Network package (pyTTN) for the evaluation of dynamical properties of closed and open quantum systems that makes use of Tree Tensor Network (TTN), or equivalently the multi-layer multiconfiguration…
In recent years, tree tensor network methods have proven capable of simulating quantum many-body and other high-dimensional systems. This work is a user guide to our Python library PyTreeNet. It includes code examples and exercises to…
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…
The recomputability and reproducibility of results from scientific software requires access to both the source code and all associated input and output data. However, the full collection of these resources often does not accompany the key…
In recent years, significant advances have been made in exoplanet and brown dwarf observations. By using state-of-the-art models, astronomers can determine properties of their atmospheres, such as temperatures, the presence of clouds, or…
TNQMetro is a numerical package written in Python for calculations of fundamental quantum bounds on measurement precision. Thanks to the usage of the tensor-network formalism it can beat the curse of dimensionality and provides an efficient…
Instance Space Analysis is a methodology to evaluate algorithm performance across diverse problem fields. Through visualisation and exploratory data analysis techniques, Instance Space Analysis offers objective, data-driven insights into…
Over the past few decades, a vast amount of information on the structure of atomic nuclei has been collected, compiled, and evaluated. Accurate and reliable data are essential for the understanding of the behavior of atomic nuclei.…
Two FORTRAN programs are presented which plot the Hertzsprung-Russell diagram and the temporal evolution of such stellar quantities as: central and photospheric isotopic abundances, central densities and temperatures, luminosities,effective…
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…
Bibliometric analysis is a critical tool for understanding the structure, dynamics, and impact of scientific research. Traditional methods often fall short in capturing the intricate relationships and evolving trends within scientific…
In recent years, there has been increasing interest in network diffusion models and related problems. The most popular of these are the independent cascade and linear threshold models. Much of the recent experimental work done on these…
In this paper, we introduce Pysimfrac, a open-source python library for generating 3-D synthetic fracture realizations, integrating with fluid simulators, and performing analysis. Pysimfrac allows the user to specify one of three fracture…
Neural Networks are notoriously difficult to inspect. We introduce comgra, an open source python library for use with PyTorch. Comgra extracts data about the internal activations of a model and organizes it in a GUI (graphical user…