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Machine learning solutions are very popular in the field of chemoinformatics, where they have numerous applications, such as novel drug discovery or molecular property prediction. Molecular fingerprints are algorithms commonly used for…

Quantitative Methods · Quantitative Biology 2024-04-01 Michał Szafarczyk , Piotr Ludynia , Przemysław Kukla

We introduce QCLAB, an object-oriented MATLAB toolbox for constructing, representing, and simulating quantum circuits. Designed with an emphasis on numerical stability, efficiency, and performance, QCLAB provides a reliable platform for…

Quantum Physics · Physics 2025-03-06 Sophia Keip , Daan Camps , Roel Van Beeumen

This paper presents a modular, extensible and highly efficient open source framework for registration based tracking called Modular Tracking Framework (MTF). Targeted at robotics applications, it is implemented entirely in C++ and designed…

Computer Vision and Pattern Recognition · Computer Science 2018-05-21 Abhineet Singh , Martin Jagersand

Emerging technologies like hypersonic aircraft, space exploration vehicles, and batteries avail fluid circulation in embedded microvasculatures for efficient thermal regulation. Modeling is vital during these engineered systems' design and…

Numerical Analysis · Mathematics 2023-05-16 N. V. Jagtap , M. K. Mudunuru , K. B. Nakshatrala

This paper describes NCRF++, a toolkit for neural sequence labeling. NCRF++ is designed for quick implementation of different neural sequence labeling models with a CRF inference layer. It provides users with an inference for building the…

Computation and Language · Computer Science 2018-06-19 Jie Yang , Yue Zhang

Over the last ten years, the popularity of Machine Learning (ML) has grown exponentially in all scientific fields, including particle physics. The industry has also developed new powerful tools that, imported into academia, could…

High Energy Physics - Experiment · Physics 2023-03-01 Stefano Vergani , Attila Bagoly

An approach for incorporating embedded simulation and analysis capabilities in complex simulation codes through template-based generic programming is presented. This approach relies on templating and operator overloading within the C++…

Mathematical Software · Computer Science 2012-05-17 Roger P. Pawlowski , Eric T. Phipps , Andrew G. Salinger

Monte-Carlo simulation of physical processes is an important tool for detector development as it allows to predict signal pulse amplitude and timing, time resolution, efficiency ... Yet despite the fact they are very common, full…

Instrumentation and Detectors · Physics 2016-07-27 Vincent Français

Runko is a new open-source plasma simulation framework implemented in C++ and Python. It is designed to function as an easy-to-extend general toolbox for simulating astrophysical plasmas with different theoretical and numerical models.…

Computational Physics · Physics 2022-08-10 J. Nättilä

Subatomic particle track reconstruction (tracking) is a vital task in High-Energy Physics experiments. Tracking is exceptionally computationally challenging and fielded solutions, relying on traditional algorithms, do not scale linearly.…

High Energy Physics - Experiment · Physics 2024-07-12 Uraz Odyurt , Stephen Nicholas Swatman , Ana-Lucia Varbanescu , Sascha Caron

MLPACK is a state-of-the-art, scalable, multi-platform C++ machine learning library released in late 2011 offering both a simple, consistent API accessible to novice users and high performance and flexibility to expert users by leveraging…

Mathematical Software · Computer Science 2021-06-24 Ryan R. Curtin , James R. Cline , N. P. Slagle , William B. March , Parikshit Ram , Nishant A. Mehta , Alexander G. Gray

We have developed a fully parallel C++/MPI based simulation code for variable-density particle-laden turbulent flows. The fluid is represented through a uniform Eulerian staggered grid, while particles are modeled using a Lagrangian…

Computational Physics · Physics 2016-01-22 Hadi Pouransari , Milad Mortazavi , Ali Mani

This paper introduces PolyDiM, an open-source C++ library tailored for the development and implementation of polytopal discretization methods for partial differential equations. The library provides robust and modular tools to support…

Numerical Analysis · Mathematics 2025-05-21 Stefano Berrone , Andrea Borio , Gioana Teora , Fabio Vicini

MFEM is an open-source, lightweight, flexible and scalable C++ library for modular finite element methods that features arbitrary high-order finite element meshes and spaces, support for a wide variety of discretization approaches and…

ZKCM is a C++ library developed for the purpose of multiprecision matrix computation, on the basis of the GNU MP and MPFR libraries. It provides an easy-to-use syntax and convenient functions for matrix manipulations including those often…

Mathematical Software · Computer Science 2013-05-14 Akira SaiToh

High Performance Computing is notorious for its long and expensive software development cycle. To address this challenge, we present Bind: a "partitioned global workflow" parallel programming model for C++ applications that enables quick…

Distributed, Parallel, and Cluster Computing · Computer Science 2016-06-16 Alex Kosenkov , Matthias Troyer

The ALICE detector at CERN uses properties of the magnetic field acting on charged particles as part of the particle tracking and identification system -- via measuring the strength of bending of charged particles in a magnetic field…

Instrumentation and Detectors · Physics 2021-12-03 Piotr Nowakowski , Przemysław Rokita , Łukasz Graczykowski

We describe how to apply adjoint sensitivity methods to backward Monte-Carlo schemes arising from simulations of particles passing through matter. Relying on this, we demonstrate derivative based techniques for solving inverse problems for…

Computational Physics · Physics 2022-05-11 Roland Grinis

Feltor is a modular and free scientific software package. It allows developing platform independent code that runs on a variety of parallel computer architectures ranging from laptop CPUs to multi-GPU distributed memory systems. Feltor…

Parameter estimation via unbinned maximum likelihood fits is a central technique in particle physics. This article introduces MoreFit, which aims to provide a more optimised, rapid and efficient fitting solution for unbinned maximum…

Data Analysis, Statistics and Probability · Physics 2026-02-05 Christoph Langenbruch