Related papers: Modernizing PHCpack through phcpy
Molecular dynamics simulations play an increasingly important role in the rational design of (nano)-materials and in the study of biomacromolecules. However, generating input files and realistic starting coordinates for these simulations is…
pPython seeks to provide a parallel capability that provides good speed-up without sacrificing the ease of programming in Python by implementing partitioned global array semantics (PGAS) on top of a simple file-based messaging library…
We introduce FDApy, an open-source Python package for the analysis of functional data. The package provides tools for the representation of (multivariate) functional data defined on different dimensional domains and for functional data that…
PaPy, which stands for parallel pipelines in Python, is a highly flexible framework that enables the construction of robust, scalable workflows for either generating or processing voluminous datasets. A workflow is created from user-written…
pyspeckit is a toolkit and library for spectroscopic analysis in Python. We describe the pyspeckit package and highlight some of its capabilities, such as interactively fitting a model to data, akin to the historically widely-used splot…
SpeechPy is an open source Python package that contains speech preprocessing techniques, speech features, and important post-processing operations. It provides most frequent used speech features including MFCCs and filterbank energies…
Space-filling experimental design techniques are commonly used in many computer modeling and simulation studies to explore the effects of inputs on outputs. This research presents raxpy, a Python package that leverages expressive annotation…
PySymmPol is a Python package designed for efficient manipulation of symmetric polynomials. It provides functionalities for working with various types of symmetric polynomials, including elementary, homogeneous, monomial symmetric, (skew-)…
Partial differential equations describing the dynamics of physical systems rarely have closed-form solutions. Fourier spectral methods, which use Fast Fourier Transforms (FFTs) to approximate solutions, are a common approach to solving…
We demonstrate our implementation of a continuation method as described in \cite{HR2015} for solving polynomials systems. Given a sequence of (multi)homogeneous polynomials, the software "multiregeneration" outputs the respective…
The analysis of linear ill-posed problems often is carried out in function spaces using tools from functional analysis. However, the numerical solution of these problems typically is computed by first discretizing the problem and then…
This article introduces MCNP-GO (https://github.com/afriou/mcnpgo), a Python package designed to manipulate and assemble MCNP input files, allowing users to assemble a set of independent objects, each described by a valid MCNP file, into a…
We introduce an open source python framework named PHS - Parallel Hyperparameter Search to enable hyperparameter optimization on numerous compute instances of any arbitrary python function. This is achieved with minimal modifications inside…
We present the Julia package SagbiHomotopy.jl for solving systems of polynomial equations using numerical homotopy continuation. The package introduces an optimal choice of a start system based on SAGBI homotopies. For square horizontally…
QMKPy provides a Python framework for modeling and solving the quadratic multiple knapsack problem (QMKP). It is primarily aimed at researchers who develop new solution algorithms for the QMKP. QMKPy therefore mostly functions as a testbed…
This demo paper introduces partitura, a Python package for handling symbolic musical information. The principal aim of this package is to handle richly structured musical information as conveyed by modern staff music notation. It provides a…
COFFEE (ConFormal Field Equation Evolver) is a Python package primarily developed to numerically evolve systems of partial differential equations over time using the method of lines. It includes a variety of time integrators and finite…
In this work, we present MOLPIPx, a versatile library designed to seamlessly integrate Permutationally Invariant Polynomials (PIPs) with modern machine learning frameworks, enabling the efficient development of linear models, neural…
Background. In modern software development, the use of external libraries and packages is increasingly prevalent, streamlining the software development process and enabling developers to deploy feature-rich systems with little coding. While…
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…