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Fast, incremental evolution of physics instrumentation raises the question of efficient software abstraction and transferability of algorithms across similar technologies. This contribution aims to provide an answer by introducing Track…
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…
We introduce pyGSL, a Python library that provides efficient implementations of state-of-the-art graph structure learning models along with diverse datasets to evaluate them on. The implementations are written in GPU-friendly ways, allowing…
In "Shive wave machines - Wave propagation, dispersion, reflection, simulation" (arXiv:1503.02088) technical details of Shive wave machines are discussed. Wave propagation on these machines is simulated using the commercial numerical…
Advanced ultrasound computed tomography techniques like full-waveform inversion are mathematically challenging and orders of magnitude more computationally expensive than conventional ultrasound imaging methods. This computational and…
High-level programming languages such as Python are increasingly used to provide intuitive interfaces to libraries written in lower-level languages and for assembling applications from various components. This migration towards…
Implementing artificial neural networks is commonly achieved via high-level programming languages like Python and easy-to-use deep learning libraries like Keras. These software libraries come pre-loaded with a variety of network…
This paper discusses a Python interface for the recently published DUNE-FEM-DG module which provides highly efficient implementations of the Discontinuous Galerkin (DG) method for solving a wide range of non linear partial differential…
PyLlama is a handy Python toolkit to compute the electromagnetic reflection and transmission properties of arbitrary multilayered linear media, including the case of anisotropy. Relying on a $4 \times 4$-matrix formalism, PyLlama implements…
Conventional (CP) and Fourier (FP) ptychography have emerged as versatile quantitative phase imaging techniques. While the main application cases for each technique are different, namely lens-less short wavelength imaging for CP and…
Background: Digital Image Correlation (DIC) is a widely used full-field measurement technique, but both open-source and commercial packages often have limitations such as operating-system restrictions, lack of support for deployment on…
Hardware generation languages (HGLs) increase hardware design productivity by creating parameterized modules and test benches. Unfortunately, existing tools are not widely adopted due to several demerits, including limited support for…
LAPACK and ScaLAPACK are arguably the defacto standard libraries among the scientific community for solving linear algebra problems on sequential, shared-memory and distributed-memory architectures. While ease of use was a major design goal…
Applications are increasingly written as dynamic workflows underpinned by an execution framework that manages asynchronous computations across distributed hardware. However, execution frameworks typically offer one-size-fits-all solutions…
It is well-known that reliable and efficient domain truncation is crucial to accurate numerical solution of most wave propagation problems. The perfectly matched layer (PML) is a method which, when stable, can provide a domain truncation…
This paper introduces pyRecLab, a software library written in C++ with Python bindings which allows to quickly train, test and develop recommender systems. Although there are several software libraries for this purpose, only a few let…
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…
PySPH is an open-source, Python-based, framework for particle methods in general and Smoothed Particle Hydrodynamics (SPH) in particular. PySPH allows a user to define a complete SPH simulation using pure Python. High-performance code is…
In this chapter, we describe the Parallel Sparse Computation Toolkit (PSCToolkit), a suite of libraries for solving large-scale linear algebra problems in an HPC environment. In particular, we focus on the tools provided for the solution of…
PENLAB is an open source software package for nonlinear optimization, linear and nonlinear semidefinite optimization and any combination of these. It is written entirely in MATLAB. PENLAB is a young brother of our code PENNON \cite{pennon}…