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This paper describes PyOED, a highly extensible scientific package that enables developing and testing model-constrained optimal experimental design (OED) for inverse problems. Specifically, PyOED aims to be a comprehensive Python toolkit…
This paper introduces mFST, a new Python library for working with Finite-State Machines based on OpenFST. mFST is a thin wrapper for OpenFST and exposes all of OpenFST's methods for manipulating FSTs. Additionally, mFST is the only Python…
Resonance energy transfer methods are in wide use for evaluating protein-protein interactions and protein conformational changes in living cells. Fluorescence resonance energy transfer (FRET) measures energy transfer as a function of the…
Scikit-HEP is a community-driven and community-oriented project with the goal of providing an ecosystem for particle physics data analysis in Python. Scikit-HEP is a toolset of approximately twenty packages and a few "affiliated" packages.…
We present PyNeuralFx, an open-source Python toolkit designed for research on neural audio effect modeling. The toolkit provides an intuitive framework and offers a comprehensive suite of features, including standardized implementation of…
We describe a flexible data reduction package for high resolution cross-dispersed echelle data. This open-source package is developed in Python and includes optional GUIs for most of the steps. It does not require any pre-knowledge about…
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…
Recommender systems have demonstrated significant impact across diverse domains, yet ensuring the reproducibility of experimental findings remains a persistent challenge. A primary obstacle lies in the fragmented and often opaque data…
Studying facial expressions is a notoriously difficult endeavor. Recent advances in the field of affective computing have yielded impressive progress in automatically detecting facial expressions from pictures and videos. However, much of…
FluidDyn is a project to foster open-science and open-source in the fluid dynamics community. It is thought of as a research project to channel open-source dynamics, methods and tools to do science. We propose a set of Python packages…
We present PyGFit, a program designed to measure PSF-matched photometry from images with disparate pixel scales and PSF sizes. While PyGFit has a number of uses, its primary purpose is to extract robust spectral energy distributions (SEDs)…
The first experimental data from single-particle scattering experiments from free electron lasers (FELs) are now becoming available. The first such experiments are being performed on relatively large objects such as viruses, which produce…
Powder X-ray diffraction (pXRD) experiments are a cornerstone for materials structure characterization. Despite their widespread application, analyzing pXRD diffractograms still presents a significant challenge to automation and a…
Ligands entering a protein binding pocket essentially compete with water molecules for binding to the protein. Hence, the location and thermodynamic properties of water molecules in protein structures have gained increased attention in the…
Assessing developer proficiency in open-source software (OSS) projects is essential for understanding project dynamics, especially for expertise. This paper presents PyGress, a web-based tool designed to automatically evaluate and visualize…
We present the Python Tree Tensor Network package (pyTTN) for the evaluation of dynamical properties of closed and open quantum systems that makes use of Tree Tensor Network (TTN), or equivalently the multi-layer multiconfiguration…
This paper is a guide to the installation and use of the Python package PYESSENCE. PYESSENCE is designed to evolve linear perturbations to Coupled Quintessence models with a arbitrary number of cold dark matter (CDM) fluids and dark energy…
The point spread function (PSF) is fundamental to any type of microscopy, most importantly so for single-molecule localization techniques, where the exact PSF shape is crucial for precise molecule localization at the nanoscale. However,…
Functional groups and moieties are chemical descriptors of biomolecules that can be used to interpret their properties and functions, leading to the understanding of chemical or biological mechanisms. These chemical building blocks, or…
We describe PyRaTE, a new, non-local thermodynamic equilibrium (non-LTE) line radiative transfer code developed specifically for post-processing astrochemical simulations. Population densities are estimated using the escape probability…