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Magpy is a C++ accelerated Python package for modelling and simulating the magnetic dynamics of nano-sized particles. Nanoparticles are modelled as a system of three-dimensional macrospins and simulated with a set of coupled stochastic…

Computational Physics · Physics 2018-01-25 Oliver Laslett , Jonathon Waters , Hans Fangohr , Ondrej Hovorka

DeepXube is a free and open-source Python package and command-line tool that seeks to automate the solution of pathfinding problems by using machine learning to learn heuristic functions that guide heuristic search algorithms tailored to…

Artificial Intelligence · Computer Science 2026-03-26 Forest Agostinelli

Black-box optimization (BBO) has a broad range of applications, including automatic machine learning, experimental design, and database knob tuning. However, users still face challenges when applying BBO methods to their problems at hand…

Machine Learning · Computer Science 2024-05-17 Huaijun Jiang , Yu Shen , Yang Li , Beicheng Xu , Sixian Du , Wentao Zhang , Ce Zhang , Bin Cui

A common problem in elastic optical networks is to study the behavior of different resources allocation algorithms, such as signal modulation formats or quality of service, in optical networks in dynamic scenarios where connections are…

Networking and Internet Architecture · Computer Science 2021-05-07 Felipe Falcón , Gonzalo España , Danilo Bórquez-Paredes

FCMpy is an open source package in Python for building and analyzing Fuzzy Cognitive Maps. More specifically, the package allows 1) deriving fuzzy causal weights from qualitative data, 2) simulating the system behavior, 3) applying machine…

Mathematical Software · Computer Science 2022-11-03 Samvel Mkhitaryan , Philippe J. Giabbanelli , Maciej K. Wozniak , Gonzalo Napoles , Nanne K. de Vries , Rik Crutzen

YAMLE: Yet Another Machine Learning Environment is an open-source framework that facilitates rapid prototyping and experimentation with machine learning (ML) models and methods. The key motivation is to reduce repetitive work when…

Machine Learning · Computer Science 2024-02-12 Martin Ferianc , Miguel Rodrigues

Accurate and efficient source analysis in electro- and magnetoencephalography using sophisticated realistic head geometries requires advanced numerical approaches. This paper presents DUNEuro, a free and open source C++ software toolbox for…

ruptures is a Python library for offline change point detection. This package provides methods for the analysis and segmentation of non-stationary signals. Implemented algorithms include exact and approximate detection for various…

Computation · Statistics 2018-01-04 Charles Truong , Laurent Oudre , Nicolas Vayatis

We introduce a tensor network library designed for classical and quantum physics simulations called Cytnx (pronounced as sci-tens). This library provides almost an identical interface and syntax for both C++ and Python, allowing users to…

Mathematical Software · Computer Science 2025-03-19 Kai-Hsin Wu , Chang-Teng Lin , Ke Hsu , Hao-Ti Hung , Manuel Schneider , Chia-Min Chung , Ying-Jer Kao , Pochung Chen

relentless is an open-source Python package that enables the optimization of objective functions computed using molecular dynamics simulations. It has a high-level, extensible interface for model parametrization; setting up, running, and…

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Optunity is a free software package dedicated to hyperparameter optimization. It contains various types of solvers, ranging from undirected methods to direct search, particle swarm and evolutionary optimization. The design focuses on ease…

Machine Learning · Computer Science 2014-12-04 Marc Claesen , Jaak Simm , Dusan Popovic , Yves Moreau , Bart De Moor

pyscreener is a Python library that seeks to alleviate the challenges of large-scale structure-based design using computational docking. It provides a simple and uniform interface that is agnostic to the backend docking engine with which to…

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$\textit{Pymc-learn}$ is a Python package providing a variety of state-of-the-art probabilistic models for supervised and unsupervised machine learning. It is inspired by $\textit{scikit-learn}$ and focuses on bringing probabilistic machine…

Machine Learning · Statistics 2018-11-05 Daniel Emaasit

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

lcensemble is a high-performing, scalable and user-friendly Python package for the general tasks of classification and regression. The package implements Local Cascade Ensemble (LCE), a machine learning method that further enhances the…

Machine Learning · Computer Science 2023-08-17 Kevin Fauvel , Élisa Fromont , Véronique Masson , Philippe Faverdin , Alexandre Termier

We overview the ensmallen numerical optimization library, which provides a flexible C++ framework for mathematical optimization of user-supplied objective functions. Many types of objective functions are supported, including general,…

Mathematical Software · Computer Science 2024-02-12 Ryan R. Curtin , Marcus Edel , Rahul Ganesh Prabhu , Suryoday Basak , Zhihao Lou , Conrad Sanderson

We present Sketch 'n Solve, an open-source Python package that implements efficient randomized numerical linear algebra (RandNLA) techniques for solving large-scale least squares problems. While sketch-and-solve algorithms have demonstrated…

Machine Learning · Computer Science 2024-11-19 Alex Lavaee

The high-performance computing resources and the constant improvement of both numerical simulation accuracy and the experimental measurements with which they are confronted, bring a new compulsory step to strengthen the credence given to…

Computation · Statistics 2019-03-01 J-B. Blanchard , G. Damblin , J-M. Martinez , G. Arnaud , F. Gaudier

GEANT4 is a particle physics simulation tool used to develop and optimize radiation detectors. While C++ based examples exist, Python's growing popularity necessitates the development of a more accessible Python bindings interface. This…

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