相关论文: Paicos: A Python package for analysis of (cosmolog…

PySCF is a general-purpose electronic structure platform designed from the ground up to emphasize code simplicity, both to aid new method development, as well as for flexibility in computational workflow. The package provides a wide range…

Plyades: A Python Library for Space Mission Design Designing a space mission is a computation-heavy task. Software tools that conduct the necessary numerical simulations and optimizations are therefore indispensable. The usability of…

This article describes lcpy, an open-source python package that allows for advanced parametric Life Cycle Assessment (LCA) and Life Cycle Costing (LCC) analysis. The package is designed to allow the user to model a process with a flexible,…

Extracting actionable insight from complex unlabeled scientific data is an open challenge and key to unlocking data-driven discovery in science. Complementary and alternative to supervised machine learning approaches, unsupervised…

The Python package pylimer-tools is a comprehensive toolkit for computational studies of polymer networks, particularly bead-spring networks. The package provides functionality to generate polymer networks using Monte Carlo (MC) procedures…

The MeMC is an open-source software package for monte-carlo simulation of elastic shells. It is designed as a tool to interpret the force-distance data generated by indentation of biological nano-vesicles by atomic force microscopes. The…

Tangelo [link: https://github.com/goodchemistryco/Tangelo] is an open-source Python software package for the development of end-to-end chemistry workflows on quantum computers, released under Apache 2.0 license. It aims to support the…

In this article we describe how we successfully incorporated data analysis in Python in a first-year laboratory course without significantly altering the course structure and without overburdening students. We show how we created and used…

This paper presents SunPy (version 0.5), a community-developed Python package for solar physics. Python, a free, cross-platform, general-purpose, high-level programming language, has seen widespread adoption among the scientific community,…

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…

The exponential growth of data in Astrophysics and Cosmology demands scalable computational tools and intuitive interfaces for analysis and visualization. In this work, we present an innovative integration of the VisIVO scientific…

Atomic-scale simulations have progressed tremendously over the past decade, largely due to the availability of machine-learning interatomic potentials. These potentials combine the accuracy of electronic structure calculations with the…

This paper introduces panoptica, a versatile and performance-optimized package designed for computing instance-wise segmentation quality metrics from 2D and 3D segmentation maps. panoptica addresses the limitations of existing metrics and…

Qudi is a general, modular, multi-operating system suite written in Python 3 for controlling laboratory experiments. It provides a structured environment by separating functionality into hardware abstraction, experiment logic and user…

Presolving has become an essential component of modern MIP solvers both in terms of computational performance and numerical robustness. In this paper, we present PaPILO, a new C++ header-only library that provides a large set of presolving…

We present a public data release of halo catalogs from a suite of 125 cosmological $N$-body simulations from the Abacus project. The simulations span 40 $w$CDM cosmologies centered on the Planck 2015 cosmology at two mass resolutions,…

The simulation and parameter optimization of coupled ocean circulation and ecosystem models in three space dimensions is one of the most challenging tasks in numerical climate research. Here we present a scientific toolkit that aims at…

In this paper, we present resolvent4py, a parallel Python package for the analysis, model reduction and control of large-scale linear systems with millions or billions of degrees of freedom. This package provides the user with a friendly…

We describe pyro: a simple, freely-available code to aid students in learning the computational hydrodynamics methods widely used in astrophysics. pyro is written with simplicity and learning in mind and intended to allow students to…

Many STEM concepts pose significant learning challenges to students due to their inherent complexity and abstract nature. Visualizing complex problems through animations can significantly enhance learning outcomes. However, the creation of…