Related papers: Modernizing PHCpack through phcpy
Despite advancements in the areas of parallel and distributed computing, the complexity of programming on High Performance Computing (HPC) resources has deterred many domain experts, especially in the areas of machine learning and…
There are a number of different phenomena in the early universe that have to be studied numerically with lattice simulations. This paper presents a graphics processing unit (GPU) accelerated Python program called PyCOOL that solves the…
Proof assistants enable users to develop machine-checked proofs regarding software-related properties. Unfortunately, the interactive nature of these proof assistants imposes most of the proof burden on the user, making formal verification…
Probabilistic numerical methods (PNMs) solve numerical problems via probabilistic inference. They have been developed for linear algebra, optimization, integration and differential equation simulation. PNMs naturally incorporate prior…
pydelay is a python library which translates a system of delay differential equations into C-code and simulates the code using scipy weave.
Over the past decade, the Python-based Simulations of Chemistry Framework (PySCF) has developed into a widely used open-source platform for electronic structure theory and quantum chemical method development. This article reviews the major…
The solution of optimization problems constrained by partial differential equations (PDEs) plays an important role in many areas of science and industry. In this work we present cashocs, a new software package written in Python, which…
The objective is to demonstrate the making of Ada software available to Python and Julia programmers using GPRbuild. GPRbuild is the project manager of the GNAT toolchain. With GPRbuild the making of shared object files is fully automated…
bayesian_pyhf is a Python package that allows for the parallel Bayesian and frequentist evaluation of multi-channel binned statistical models. The Python library pyhf is used to build such models according to the HistFactory framework and…
Python has emerged as one of the most popular programming languages, extensively utilized in domains such as machine learning, data analysis, and web applications. Python's dynamic nature and extensive usage make it an attractive candidate…
This paper presents FauxPy, a fault localization tool for Python programs. FauxPy supports seven well-known fault localization techniques in four families: spectrum-based, mutation-based, predicate switching, and stack trace fault…
Fanpy is a free and open-source Python library for developing and testing multideterminant wavefunctions and related ab initio methods in electronic structure theory. The main use of Fanpy is to quickly prototype new methods by making it…
POLEVAL provides a software toolbox for collaborative, persistent and reproducible analysis of XPS experiments. It allows to treat, analyse and visualise the results of an extended experimental campaign in a single python notebook in a…
Compound AI applications, which compose calls to ML models using a general-purpose programming language like Python, are widely used for a variety of user-facing tasks, from software engineering to enterprise automation, making their…
We present Paicos, a new object-oriented Python package for analyzing simulations performed with Arepo. Paicos strives to reduce the learning curve for students and researchers getting started with Arepo simulations. As such, Paicos…
Recent developments in path integral methodology have significantly reduced the computational expense of including quantum mechanical effects in the nuclear motion in ab initio molecular dynamics simulations. However, the implementation of…
Within the last years, Python became more prominent in the scientific community and is now used for simulations, machine learning, and data analysis. All these tasks profit from additional compute power offered by parallelism and…
Polylab is a MATLAB toolbox for multivariate polynomial scalars and polynomial matrices with a unified symbolic-numeric interface across CPU and GPU-oriented backends. The software exposes three aligned classes: MPOLY for CPU execution,…
We present the Matlab toolbox MacaulayLab, which implements numerical linear algebra algorithms for solving multivariate polynomial systems and rectangular multiparameter eigenvalue problems. Its structure and functionality are the result…
Different security issues are a common problem for open source packages archived to and delivered through software ecosystems. These often manifest themselves as software weaknesses that may lead to concrete software vulnerabilities. This…