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We introduce pymovements: a Python package for analyzing eye-tracking data that follows best practices in software development, including rigorous testing and adherence to coding standards. The package provides functionality for key…
The ability to rapidly test a variety of algorithms for an arbitrary state estimation task is valuable in the prototyping phase of navigation systems. Lie group theory is now mainstream in the robotics community, and hence estimation…
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…
Scientific information extraction (SciIE), which aims to automatically extract information from scientific literature, is becoming more important than ever. However, there are no existing SciIE datasets for polymer materials, which is an…
The extended Ptychographical Iterative Engine (ePIE) is a widely used phase retrieval algorithm for Electron Ptychography from 4-dimensional (4-D) Scanning Transmission Electron Microscopy (4-D STEM) measurements acquired with a focused or…
Information extraction from chemistry literature is vital for constructing up-to-date reaction databases for data-driven chemistry. Complete extraction requires combining information across text, tables, and figures, whereas prior work has…
This paper introduces the practicalities and benefits of using SimPy, a discrete event simulation (DES) module written in Python, for modeling and simulating complex systems. Through a step-by-step exploration of the classical Dining…
rigidPy is a Python package that provides a set of tools necessary for studying rigidity and mechanical response in spring networks. It also includes suitable modules for generating new realizations of networks with applications in glassy…
We present the Python package CELL, which provides a modular approach to the cluster expansion (CE) method. CELL can treat a wide variety of substitutional systems, including one-, two-, and three-dimensional alloys, in a general…
PyUnfold is a Python package for incorporating imperfections of the measurement process into a data analysis pipeline. In an ideal world, we would have access to the perfect detector: an apparatus that makes no error in measuring a desired…
We present the Python-based Molecule Builder for ESPResSo (pyMBE), an open source software to design custom Coarse-Grained (CG) models, as well as pre-defined models of polyelectrolytes, peptides and globular proteins in the Extensible…
Alloy cluster expansions (CEs) provide an accurate and computationally efficient mapping of the potential energy surface of multi-component systems that enables comprehensive sampling of the many-dimensional configuration space. Here, we…
Discovering causal direction from temporal observational data is particularly challenging for symbolic sequences, where functional models and noise assumptions are often unavailable. We propose a novel \emph{Dictionary Based Pattern Entropy…
Preserving topological structures is important in real-world applications, particularly in sensitive domains such as healthcare and medicine, where the correctness of human anatomy is critical. However, most existing image editing models…
This paper describes a novel Python package, named causalgraph, for modeling and saving causal graphs embedded in knowledge graphs. The package has been designed to provide an interface between causal disciplines such as causal discovery…
We describe a numerical technique and accompanying open-source Python software package called RydIQule. RydIQule uses a directional graph, relying on adjacency matrices and path-finding to generate a Hamiltonian for multi-level atomic…
The article presents the torchosr package - a Python package compatible with PyTorch library - offering tools and methods dedicated to Open Set Recognition in Deep Neural Networks. The package offers two state-of-the-art methods in the…
Machine learning is a general-purpose technology holding promises for many interdisciplinary research problems. However, significant barriers exist in crossing disciplinary boundaries when most machine learning tools are developed in…
Major advancements in fields as diverse as biology and quantum computing have relied on a multitude of microscopic techniques. All optical, electron and scanning probe microscopy advanced with new detector technologies and integration of…
A Materials Project based open-source Python tool, MPInterfaces, has been developed to automate the high-throughput computational screening and study of interfacial systems. The framework encompasses creation and manipulation of interface…