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partycls is a Python framework for cluster analysis of systems of interacting particles. By grouping particles that share similar structural or dynamical properties, partycls enables rapid and unsupervised exploration of the system's…

Computational Physics · Physics 2021-11-22 Joris Paret , Daniele Coslovich

The OpenSSF Scorecard project is an automated tool to monitor the security health of open-source software. This study evaluates the applicability of the Scorecard tool and compares the security practices and gaps in the npm and PyPI…

Cryptography and Security · Computer Science 2023-06-16 Nusrat Zahan , Parth Kanakiya , Brian Hambleton , Shohanuzzaman Shohan , Laurie Williams

Correct performance assessment is crucial for evaluating modern artificial intelligence algorithms in medicine like deep-learning based medical image segmentation models. However, there is no universal metric library in Python for…

Computer Vision and Pattern Recognition · Computer Science 2022-01-25 Dominik Müller , Dennis Hartmann , Philip Meyer , Florian Auer , Iñaki Soto-Rey , Frank Kramer

The rapid growth in scale and complexity of both computational and observational astrophysics over the past decade necessitates efficient and intuitive methods for examining and visualizing large datasets. Here, I present {\it AstroBlend},…

Instrumentation and Methods for Astrophysics · Physics 2016-02-11 J. P. Naiman

We present the Variable Star PhasE Curve (VSPEC) Collection, a set of Python packages for simulating combined-light spectroscopic observations of 3-dimensional exoplanet atmospheres in the presence of stellar variability and inhomogeneity.…

Recently, many software tools have been developed to perform quantification in LC-MS analyses. However, most of them are specific to either a quantification strategy (e.g. label-free or isotopic labelling) or a mass-spectrometry system…

Quantitative Methods · Quantitative Biology 2011-09-27 Benoît Valot , Olivier Langella , Edlira Nano , Michel Zivy

DeeProb-kit is a unified library written in Python consisting of a collection of deep probabilistic models (DPMs) that are tractable and exact representations for the modelled probability distributions. The availability of a representative…

Machine Learning · Computer Science 2022-12-09 Lorenzo Loconte , Gennaro Gala

Dealing with uncertainty in applications of machine learning to real-life data critically depends on the knowledge of intrinsic dimensionality (ID). A number of methods have been suggested for the purpose of estimating ID, but no standard…

Machine Learning · Computer Science 2023-12-07 Jonathan Bac , Evgeny M. Mirkes , Alexander N. Gorban , Ivan Tyukin , Andrei Zinovyev

In this paper, we introduce Pysimfrac, a open-source python library for generating 3-D synthetic fracture realizations, integrating with fluid simulators, and performing analysis. Pysimfrac allows the user to specify one of three fracture…

Geophysics · Physics 2023-09-26 Eric Guiltinan , Javier E. Santos , Prakash Purswani , Jeffrey D. Hyman

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…

Information Retrieval · Computer Science 2021-02-22 Jimmy Lin , Xueguang Ma , Sheng-Chieh Lin , Jheng-Hong Yang , Ronak Pradeep , Rodrigo Nogueira

We introduce PyChEst, a Python package which provides tools for the simultaneous estimation of multiple changepoints in the distribution of piece-wise stationary time series. The nonparametric algorithms implemented are provably consistent…

Computation · Statistics 2021-12-21 Azadeh Khaleghi , Lukas Zierahn

This paper describes the PySLHA package, a Python language module and program collection for reading, writing and visualising SUSY model data in the SLHA format. PySLHA can read and write SLHA data in a very general way, including the…

High Energy Physics - Phenomenology · Physics 2015-07-30 Andy Buckley

SparseChem provides fast and accurate machine learning models for biochemical applications. Especially, the package supports very high-dimensional sparse inputs, e.g., millions of features and millions of compounds. It is possible to train…

Machine Learning · Statistics 2022-03-10 Adam Arany , Jaak Simm , Martijn Oldenhof , Yves Moreau

We present the pyKLIP-CHARIS post-processing pipeline, a Python library that reduces high contrast imaging data for the CHARIS integral field spectrograph used with the SCExAO project on the Subaru Telescope. The pipeline is a part of the…

Instrumentation and Methods for Astrophysics · Physics 2023-09-11 Minghan Chen , Jason J. Wang , Timothy D. Brandt , Thayne Currie , Julien Lozi , Jeffrey Chilcote , Maria Vincent

DerivKit is a Python package for derivative-based statistical inference. It implements stable numerical differentiation and derivative assembly utilities for Fisher-matrix forecasting and higher-order likelihood approximations in scientific…

Instrumentation and Methods for Astrophysics · Physics 2026-02-10 Nikolina Šarčević , Matthijs van der Wild , Cynthia Trendafilova

Since Lorenz's seminal work on a simplified weather model, the numerical analysis of nonlinear dynamical systems has become one of the main subjects of research in physics. Despite of that, there remains a need for accessible, efficient,…

fairseq is an open-source sequence modeling toolkit that allows researchers and developers to train custom models for translation, summarization, language modeling, and other text generation tasks. The toolkit is based on PyTorch and…

Computation and Language · Computer Science 2019-04-03 Myle Ott , Sergey Edunov , Alexei Baevski , Angela Fan , Sam Gross , Nathan Ng , David Grangier , Michael Auli

$\texttt{HEPfit}$ is a flexible open-source tool which, given the Standard Model or any of its extensions, allows to $\textit{i)}$ fit the model parameters to a given set of experimental observables; $\textit{ii)}$ obtain predictions for…

The absorption and emission of light by exoplanet atmospheres encode details of atmospheric composition, temperature, and dynamics. Fundamentally, simulating these processes requires detailed knowledge of the opacity of gases within an…

Instrumentation and Methods for Astrophysics · Physics 2024-08-07 Arjun B. Savel , Megan Bedell , Eliza M. -R. Kempton

Automatically generating formal specifications could reduce the effort needed to improve program correctness, but in practice, this is still challenging. Many developers avoid writing contracts by hand, which limits the use of automated…

Software Engineering · Computer Science 2026-04-21 Ragib Shahariar Ayon , Shibbir Ahmed