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We survey some general-purpose symbolic software packages that implement algorithms from enumerative and analytic combinatorics. Software for the following areas is covered: basic combinatorial objects, symbolic combinatorics, P\'olya…
Sequential sampling models (SSMs) are a widely used framework describing decision-making as a stochastic, dynamic process of evidence accumulation. SSMs popularity across cognitive science has driven the development of various software…
We present the program package GoSam which is designed for the automated calculation of one-loop amplitudes for multi-particle processes in renormalisable quantum field theories. The amplitudes, which are generated in terms of Feynman…
The supersymmetrical approach is used to analyse a class of two-dimensional quantum systems with periodic potentials. In particular, the method of SUSY-separation of variables allowed us to find a part of the energy spectra and the…
Machine learning (ML) is increasingly becoming a common tool in computational chemistry. At the same time, the rapid development of ML methods requires a flexible software framework for designing custom workflows. MLatom 3 is a program…
A new open source tool for fluid simulation of multi-component plasmas is presented, based on a flexible software design that is applicable to scientific simulations in a wide range of fields. This design enables the same code to be…
We describe the computer algebra software package SpectralSequences for the computer algebra system Macaulay2. This package implements many data types, objects and algorithms which pertain to, among other things, filtered complexes,…
Modern astronomical surveys have multiple competing scientific goals. Optimizing the observation schedule for these goals presents significant computational and theoretical challenges, and state-of-the-art methods rely on expensive human…
FeynMaster is a multi-tasking software for particle physics studies. By making use of already existing programs (FeynRules, QGRAF, FeynCalc), FeynMaster automatically generates Feynman rules, generates and draws Feynman diagrams, generates…
We present trainsum, a versatile Python package for doing computations with multidimensional quantics tensor trains: https://github.com/fh-igd-iet/trainsum. Using the Array API standard together with opt_einsum, trainsum allows the…
Geometric computing with chain complexes allows for the computation of the whole chain of linear spaces and (co)boundary operators generated by a space decomposition into a cell complex. The space decomposition is stored and handled with…
Nowadays, many scientific areas share the same broad requirements of being able to deal with massive and distributed datasets while, when possible, being integrated with services and applications. In order to solve the growing gap between…
A large multitude of scientific computing tools is available today. This article gives an overview of available tools and explains the main application fields. In addition basic principles of number representations in computing and the…
Nested sampling is an increasingly popular technique for Bayesian computation, in particular for multimodal, degenerate problems of moderate to high dimensionality. Without appropriate settings, however, nested sampling software may fail to…
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…
SALMON (Scalable Ab-initio Light-Matter simulator for Optics and Nanoscience, http://salmon-tddft.jp) is a software package for the simulation of electron dynamics and optical properties of molecules, nanostructures, and crystalline solids…
Large computer models are ubiquitous in the earth sciences. These models often have tens or hundreds of tuneable parameters and can take thousands of core-hours to run to completion while generating terabytes of output. It is becoming…
We present a software package, IDA, which can easily handle two-dimensional spectroscopy data. IDA has been written in IDL and offers a window-based interface. The available tools can visualize a recovered image from spectra at any desired…
PESummary is a Python software package for processing and visualising data from any parameter estimation code. The easy to use Python executable scripts and extensive online documentation has resulted in PESummary becoming a key component…
We present Version 9 of the Feynman-diagram calculator FormCalc and a flexible new suite of shell scripts and Mathematica packages based on FormCalc, which can be adapted and used as a template for calculations.