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Calysto Scheme is written in Scheme in Continuation-Passing Style, and converted through a series of correctness-preserving program transformations into Python. It has support for standard Scheme functionality, including call/cc, as well as…

Open science is a fundamental pillar to promote scientific progress and collaboration, based on the principles of open data, open source and open access. However, the requirements for publishing and sharing open data are in many cases…

We introduce SPFlow, an open-source Python library providing a simple interface to inference, learning and manipulation routines for deep and tractable probabilistic models called Sum-Product Networks (SPNs). The library allows one to…

Python is known to be a versatile language, well suited both for beginners and advanced users. Some elements of the language are easier to understand than others: some are found in any kind of code, while some others are used only by…

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…

PymePix is a new Python 3 library that provides control and acquisition for the Timepix3-SPIDR hardware. The rich set of data-structures and intuitive routines reduces time and coding effort to quickly configure, acquire, and visualize data…

Understanding how the brain functions is one of the biggest challenges of our time. The analysis of experimentally recorded neural firing patterns (spike trains) plays a crucial role in addressing this problem. Here, the PySpike library is…

Bibliometric analysis is a critical tool for understanding the structure, dynamics, and impact of scientific research. Traditional methods often fall short in capturing the intricate relationships and evolving trends within scientific…

In this technical report, we describe a new version of SimpleSBML which provides an easier to use interface to python-libSBML allowing users of Python to more easily construct, edit, and inspect SBML based models. The most commonly used…

Libpsht (or "library for Performant Spherical Harmonic Transforms") is a collection of algorithms for efficient conversion between spatial-domain and spectral-domain representations of data defined on the sphere. The package supports…

With the advent of large language models (LLMs) like GPT-3, a natural question is the extent to which these models can be utilized for source code optimization. This paper presents methodologically stringent case studies applied to…

Probabilistic programming (PP) allows flexible specification of Bayesian statistical models in code. PyMC3 is a new, open-source PP framework with an intutive and readable, yet powerful, syntax that is close to the natural syntax…

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…

We describe a new open-source Python-based package for high accuracy correlated electron calculations using quantum Monte Carlo (QMC) in real space: PyQMC. PyQMC implements modern versions of QMC algorithms in an accessible format, enabling…

In recent years, numerical simulations have become indispensable for addressing complex astrophysical problems. The MagnetoHydroDynamics (MHD) framework represents a key tool for investigating the dynamical evolution of astrophysical…

The Object Constraint Language (OCL) has been widely used in the modeling community to complement software models for precisely defining constraints and business rules for the modeled systems. There is a limited number of tools supporting…

For over a decade, the SpacePy project has contributed open-source solutions for the production and analysis of heliophysics data and simulation results. Here we introduce SpacePy's functionality for the scientific user and present relevant…

This article introduces 'cpp11armadillo', a new R package that integrates the powerful Armadillo C++ library for linear algebra into the R programming environment. Targeted primarily at social scientists and other non-programmers, this…

This is a companion Focus Demonstration article to the PyMUSE python package, demonstrating its usage and utilities for VLT/MUSE data analysis, that include a wide range of options for spectra extractions, the creation of different types of…

This report presents the Prime Collective Communications Library (PCCL), a novel fault-tolerant collective communication library designed for distributed ML workloads over the public internet. PCCL introduces a new programming model that…