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The analysis of experimental results with Python often requires writing many code scripts which all need access to the same set of functions. In a common field of research, this set will be nearly the same for many users. The qspec Python…
The purpose of this work is to highlight the content of the Microsoft Recommenders repository and show how it can be used to reduce the time involved in developing recommender systems. The open source repository provides python utilities to…
A growing number of visual computing applications depend on the analysis of large video collections. The challenge is that scaling applications to operate on these datasets requires efficient systems for pixel data access and parallel…
Pyserini is an easy-to-use Python toolkit that supports replicable IR research by providing effective first-stage retrieval in a multi-stage ranking architecture. Our toolkit is self-contained as a standard Python package and comes with…
Physical reservoir computing (PRC) is a computing framework that harnesses the intrinsic dynamics of physical systems for computation. It offers a promising energy-efficient alternative to traditional von Neumann computing for certain…
Comparative evaluation of several systems is a recurrent task in researching. It is a key step before deciding which system to use for our work, or, once our research has been conducted, to demonstrate the potential of the resulting model.…
PyExperimenter is a tool to facilitate the setup, documentation, execution, and subsequent evaluation of results from an empirical study of algorithms and in particular is designed to reduce the involved manual effort significantly. It is…
Molecular adsorption is the first important step of many surface-mediated chemical processes, from catalysis to tribology. This phenomenon is controlled by physical/chemical interactions, which can be accurately described by first…
We present Bencher, a modular benchmarking framework for black-box optimization that fundamentally decouples benchmark execution from optimization logic. Unlike prior suites that focus on combining many benchmarks in a single project,…
The Kieker observability framework is a tool that provides users with the means to design a custom observability pipeline for their application. Originally tailored for Java, supporting Python with Kieker is worthwhile. Python's popularity…
Molecular docking is a critical computational strategy in drug design and discovery, but the complex diversity of biomolecular structures and flexible binding conformations create an enormous search space that challenges conventional…
This project investigates the benefits of containerization technology in modern software development and deployment. The study emphasizes the advantages of using Kubernetes and Docker in the development process, including the easy packaging…
To facilitate rational molecular and materials design, this research proposes an integrated computational framework that combines stochastic simulation, ab initio quantum chemistry, and molecular docking. The suggested workflow allows…
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…
Molecular docking is critical to structure-based virtual screening, yet the throughput of such workflows is limited by the expensive optimization of scoring functions involved in most docking algorithms. We explore how machine learning can…
We introduce PyQBench, an innovative open-source framework for benchmarking gate-based quantum computers. PyQBench can benchmark NISQ devices by verifying their capability of discriminating between two von Neumann measurements. PyQBench…
Python has emerged as one of the most popular programming languages, extensively utilized in domains such as machine learning, data analysis, and web applications. Python's dynamic nature and extensive usage make it an attractive candidate…
PyMembrane is a software package for simulating liquid and elastic membranes using a discretisation of the continuum description based on unstructured triangulated two-dimensional meshes embedded in three-dimensional space. The package is…
{\mu}Manager, an open-source microscopy acquisition software, has been an essential tool for many microscopy experiments over the past 15 years, but is not easy to use for experiments in which image acquisition and analysis are closely…
Python libraries are widely used for machine learning and scientific computing tasks today. APIs in Python libraries are deprecated due to feature enhancements and bug fixes in the same way as in other languages. These deprecated APIs are…