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Photon-HDF5 is an open-source and open file format for storing photon-counting data from single molecule microscopy experiments, introduced to simplify data exchange and increase the reproducibility of data analysis. Part of the Photon-HDF5…
We introduce the Python program THALAS (TensorFlow Hydrodynamics Analysis for Lyman-Alpha Simulations), which maps baryon fields (baryon density, temperature, and velocity) to Ly$\alpha$ optical depth fields in both real space and redshift…
Pandas is widely used for data science applications, but users often run into problems when datasets are larger than memory. There are several frameworks based on lazy evaluation that handle large datasets, but the programs have to be…
We present SaddleScape V1.0, a Python software package designed for the exploration and construction of solution landscapes in complex systems. The package implements the High-index Saddle Dynamics (HiSD) framework and its variants,…
BEANS software is a web based, easy to install and maintain, new tool to store and analyse data in a distributed way for a massive amount of data. It provides a clear interface for querying, filtering, aggregating, and plotting data from an…
PYSCF is a Python-based general-purpose electronic structure platform that both supports first-principles simulations of molecules and solids, as well as accelerates the development of new methodology and complex computational workflows.…
SciPy is an open source scientific computing library for the Python programming language. SciPy 1.0 was released in late 2017, about 16 years after the original version 0.1 release. SciPy has become a de facto standard for leveraging…
The library scikit-fda is a Python package for Functional Data Analysis (FDA). It provides a comprehensive set of tools for representation, preprocessing, and exploratory analysis of functional data. The library is built upon and integrated…
ergodicity is an open-source Python library for computational work on stochastic dynamics, with particular emphasis on non-ergodicity, time-average behavior, heavy-tailed processes, and decision making under uncertainty. The package brings…
Python is a particularly appealing language to carry out data analysis, owing in part to its user-friendly character as well as its access to well maintained and powerful libraries like NumPy and SciPy. Still, for the purpose of analyzing…
Current research provides methods to communicate uncertainty and adapts classical algorithms of the visualization pipeline to take the uncertainty into account. Various existing visualization frameworks include methods to present uncertain…
We present DataFlow, a computational framework for building, testing, and deploying high-performance machine learning systems on unbounded time-series data. Traditional data science workflows assume finite datasets and require substantial…
We present a convenient, all-in-one framework for the scientific analysis of fully reduced, (integral-field) spectroscopic data. The GIST pipeline (Galaxy IFU Spectroscopy Tool) is entirely written in Python3 and conducts all steps from the…
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…
This paper presents OpenGridGym, an open-source Python-based package that allows for seamless integration of distribution market simulation with state-of-the-art artificial intelligence (AI) decision-making algorithms. We present the…
This paper introduces PyGAD, an open-source easy-to-use Python library for building the genetic algorithm. PyGAD supports a wide range of parameters to give the user control over everything in its life cycle. This includes, but is not…
Simflowny is an open platform which automatically generates parallel code of scientific dynamical models for different simulation frameworks. Here we present major upgrades on this software to support an extended set of families of models,…
The Sand Atlas is a publicly accessible repository dedicated to the collection, processing, and sharing of high-resolution 3D models of sand-sized particles. This dataset offers valuable insights into the morphology of a wide variety of…
PyFR is an open-source cross-platform computational fluid dynamics framework based on the high-order Flux Reconstruction approach, specifically designed for undertaking high-accuracy scale-resolving simulations in the vicinity of complex…
Distributed, large-scale quantum computing will need architectures that combine matter-based qubits with photonic links, but today's software stacks target either gate-based chips or linear-optical devices in isolation. We introduce Optyx,…