Related papers: Introducing $\texttt{NatPy}$, a simple and conveni…
I describe the design, implementation, and usage of galpy, a Python package for galactic-dynamics calculations. At its core, galpy consists of a general framework for representing galactic potentials both in Python and in C (for accelerated…
The aim of this paper is to give a presentation of the Python toolbox YALTAPy dedicated to the stability study of standard and fractional delay systems as well as its online version YALTAPy_Online. Both toolboxes are derived from YALTA…
We present ongoing work on Guppy, a domain-specific language embedded in Python that allows users to write high-level hybrid quantum programs with complex control flow in Pythonic syntax, aiming to run them on actual quantum hardware.
Grid diagrams are a combinatorial version of classical link diagrams, widely used in theoretical, computational and applied knot theory. Motivated by questions from (bio)-physical knot theory, we introduce GridPyM, a Sage compatible Python…
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…
We introduce DisCoPy, an open source toolbox for computing with monoidal categories. The library provides an intuitive syntax for defining string diagrams and monoidal functors. Its modularity allows the efficient implementation of…
Physical quantities and physical dimensions are among the first concepts encountered by students in their undergraduate career. In this pedagogical review, I will start from these concepts and, using the powerful tool of dimensional…
The rapid growth of data-driven materials research has made it necessary to develop systematically designed, open databases of material properties. However, there are few open databases for polymeric materials compared to other material…
Additive models offer accurate and interpretable predictions for tabular data, a critical tool for statistical modeling. Recent advances in Neural Additive Models (NAMs) allow these models to handle complex machine learning tasks, including…
Python has become the prime language for application development in the Data Science and Machine Learning domains. However, data scientists are not necessarily experienced programmers. While Python lets them quickly implement their…
A new dynamical cascade code for decaying hot nuclei is proposed and specially adapted to the synthesis of super-heavy nuclei. For such a case, the interesting channel is the tiny fraction that will decay through particles emission, thus…
Information theory, i.e. the mathematical analysis of information and of its processing, has become a tenet of modern science; yet, its use in real-world studies is usually hindered by its computational complexity, the lack of coherent…
rigidPy is a Python package that provides a set of tools necessary for studying rigidity and mechanical response in spring networks. It also includes suitable modules for generating new realizations of networks with applications in glassy…
Multiscale optimization is an attractive research field recently. For the most of optimization tools, design parameters should be updated during a close loop. Therefore, a simple Python code is programmed to obtain effective properties of…
PySCF is a general-purpose electronic structure platform designed from the ground up to emphasize code simplicity, both to aid new method development, as well as for flexibility in computational workflow. The package provides a wide range…
Nuclear and particle physics are the core components of most undergraduate and postgraduate physics courses worldwide. While few fundamental concepts like particle counting and detector characterisation are taught in tandem with laboratory…
Analysis of emission lines in gaseous nebulae yields direct measures of physical conditions and chemical abundances and is the cornerstone of nebular astrophysics. Although the physical problem is conceptually simple, its practical…
There are two types of universality in measurement-based quantum computation (MBQC): ${\it strict}$ and ${\it computational}$. It is well known that the former is stronger than the latter. We present a method of transforming from a certain…
During the last decade we have witnessed an impressive development in so-called interpreted languages and computational environments such as Maple, Mathematica, IDL, Matlab etc. Problems which until recently were typically solved on…
We present OpenMM-Python-Force, a plugin designed to extend OpenMM's functionality by enabling integration of energy and force calculations from external Python programs via a callback mechanism. During molecular dynamics simulations, data…