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Fanpy is a free and open-source Python library for developing and testing multideterminant wavefunctions and related ab initio methods in electronic structure theory. The main use of Fanpy is to quickly prototype new methods by making it…

Robust estimation provides essential tools for analyzing data that contain outliers, ensuring that statistical models remain reliable even in the presence of some anomalous data. While robust methods have long been available in R, users of…

Computation · Statistics 2024-11-05 Sarah Leyder , Jakob Raymaekers , Peter J. Rousseeuw , Thomas Servotte , Tim Verdonck

Data gridding is a common task in astronomy and many other science disciplines. It refers to the resampling of irregularly sampled data to a regular grid. We present cygrid, a library module for the general purpose programming language…

Instrumentation and Methods for Astrophysics · Physics 2016-06-08 B. Winkel , D. Lenz , L. Flöer

There are numerous examples of problems in symbolic algebra in which the required storage grows far beyond the limitations even of the distributed RAM of a cluster. Often this limitation determines how large a problem one can solve in…

Distributed, Parallel, and Cluster Computing · Computer Science 2010-06-11 Daniel Kunkle

Analysis on HEP data is an iterative process in which the results of one step often inform the next. In an exploratory analysis, it is common to perform one computation on a collection of events, then view the results (often with…

High Energy Physics - Experiment · Physics 2023-02-21 Aryan Roy , Jim Pivarski , Chad Wells Freer

The usage of the high-level scripting language Python has enabled new mechanisms for data interrogation, discovery and visualization of scientific data. We present yt, an open source, community-developed astrophysical analysis and…

Instrumentation and Methods for Astrophysics · Physics 2011-12-21 Matthew J. Turk , Britton D. Smith

TeNPy (short for 'Tensor Network Python') is a python library for the simulation of strongly correlated quantum systems with tensor networks. The philosophy of this library is to achieve a balance of readability and usability for…

Numerical physics has gained a lot of importance in the last decade, its efficiency being motivated and sustained by the growth of computational power. This paper presents a concept that is to be developed in the next few years: OpenPh.…

Digital Libraries · Computer Science 2011-06-28 George Milescu , Gabriel Noaje , Florin Pop

We introduce GraSPy, a Python library devoted to statistical inference, machine learning, and visualization of random graphs and graph populations. This package provides flexible and easy-to-use algorithms for analyzing and understanding…

Social and Information Networks · Computer Science 2019-10-25 Jaewon Chung , Benjamin D. Pedigo , Eric W. Bridgeford , Bijan K. Varjavand , Hayden S. Helm , Joshua T. Vogelstein

We developed a Python based framework for astronomical image processing and analysis. Astronomical image loading, normalizing, stacking, and filtering processes represent visible range images from grayscale. Besides, the blending process…

Instrumentation and Methods for Astrophysics · Physics 2024-10-10 Tanmoy Bhowmik , MD Fardin Islam , Kazi Nusrat Tasneem , Rantideb Roy , Rownok Shahariar

Smarter applications are making better use of the insights gleaned from data, having an impact on every industry and research discipline. At the core of this revolution lies the tools and the methods that are driving it, from processing the…

Machine Learning · Computer Science 2020-04-01 Sebastian Raschka , Joshua Patterson , Corey Nolet

mlpy is a Python Open Source Machine Learning library built on top of NumPy/SciPy and the GNU Scientific Libraries. mlpy provides a wide range of state-of-the-art machine learning methods for supervised and unsupervised problems and it is…

Mathematical Software · Computer Science 2012-03-02 Davide Albanese , Roberto Visintainer , Stefano Merler , Samantha Riccadonna , Giuseppe Jurman , Cesare Furlanello

Galaxy morphological classification is a fundamental aspect of galaxy formation and evolution studies. Various machine learning tools have been developed for automated pipeline analysis of large-scale surveys, enabling a fast search for…

Instrumentation and Methods for Astrophysics · Physics 2022-06-15 Yash Gondhalekar , Rafael S. de Souza , Ana L. Chies-Santos

Access to vast amounts of data along with affordable computational power stimulated the reincarnation of neural networks. The progress could not be achieved without adequate software tools, lowering the entry bar for the next generations of…

Machine Learning · Computer Science 2019-10-22 Tomasz Kornuta

Scientists are increasingly turning to datacenter-scale computers to produce and analyze massive arrays. Despite decades of database research that extols the virtues of declarative query processing, scientists still write, debug and…

Databases · Computer Science 2017-02-28 Haoyuan Xing , Sofoklis Floratos , Spyros Blanas , Suren Byna , Prabhat , Kesheng Wu , Paul Brown

InferPy is a Python package for probabilistic modeling with deep neural networks. It defines a user-friendly API that trades-off model complexity with ease of use, unlike other libraries whose focus is on dealing with very general…

Machine Learning · Computer Science 2020-02-13 Javier Cózar , Rafael Cabañas , Antonio Salmerón , Andrés R. Masegosa

Large volumes of data generated by scientific experiments and simulations come in the form of arrays, while programs that analyze these data are frequently expressed in terms of array operations in an imperative, loop-based language. But,…

Databases · Computer Science 2020-03-24 Leonidas Fegaras , Md Hasanuzzaman Noor

Array-intensive programs are often amenable to parallelization across many cores on a single machine as well as scaling across multiple machines and hence are well explored, especially in the domain of high-performance computing. These…

Programming Languages · Computer Science 2019-05-23 Kunal Banerjee , Chandan Karfa

Despite the prevalence of symmetry in scientific linear systems, these structural properties are often underutilized by standard computational software. This paper introduces PySymmetry, an open-source Sage/Python framework that implements…

Group Theory · Mathematics 2025-09-25 Leon D. da Silva , Marcelo P. Santos

Much of biology (and, indeed, all of science) is becoming increasingly computational. We tend to think of this in regards to algorithmic approaches and software tools, as well as increased computing power. There has also been a shift…

Computers and Society · Computer Science 2019-06-19 Anthony C Fletcher , Cameron Mura