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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…
The computer programs most users interact with daily are driven by a graphical user interface (GUI). However, many scientific applications are used with a command line interface (CLI) for the ease of development and increased flexibility…
As the field of Quantum Computing continues to grow, so too has the general public's interest in testing some of the publicly available quantum computers. However, many might find learning all of the supplementary information that goes into…
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…
We introduce QDsim, a python package tailored for the rapid generation of charge stability diagrams in large-scale quantum dot devices, extending beyond traditional double or triple dots. QDsim is founded on the constant interaction model…
We describe Qiskit, a software development kit for quantum information science. We discuss the key design decisions that have shaped its development, and examine the software architecture and its core components. We demonstrate an…
We introduce the Piquasso quantum programming framework, a full-stack open-source software platform for the simulation and programming of photonic quantum computers. Piquasso can be programmed via a high-level Python programming interface…
We introduce D2O, a Python module for cluster-distributed multi-dimensional numerical arrays. It acts as a layer of abstraction between the algorithm code and the data-distribution logic. The main goal is to achieve usability without losing…
This paper presents a tool that simplifies quantum software development by unifying circuit design, code generation, and execution within a single cross-platform environment that supports iterative development. Implemented as open source,…
In this work, we present scikit-fingerprints, a Python package for computation of molecular fingerprints for applications in chemoinformatics. Our library offers an industry-standard scikit-learn interface, allowing intuitive usage and easy…
We present Quokka#, a versatile, open-source Python library for quantum circuit analysis. Quokka# reduces various simulation, verification, and synthesis tasks to weighted model counting (#SAT). It supports universal quantum circuits and a…
GraphiQ is a versatile open-source framework for designing photonic graph state generation schemes, with a particular emphasis on photon-emitter hybrid circuits. Built in Python, GraphiQ consists of a suite of design tools, including…
This paper proposes a non-intrusive, declarative, dynamic and transparent system called `HiQ` to track Python program runtime information without compromising on the run-time system performance and losing insight. HiQ can be used for…
We report on the development of a modular platform for programmable quantum simulation with atomic quantum gases. The platform is centered around exchangeable optical modules with versatile functionalities. The performance of each module is…
There are high technological and software demands associated with conducting brain-computer interface (BCI) research. In order to accelerate the development and accessibility of BCI, it is worthwhile to focus on open-source and desired…
QSW_MPI is a python package developed for time-series simulation of continuous-time quantum stochastic walks. This model allows for the study of Markovian open quantum systems in the Lindblad formalism, including a generalisation of the…
Using realistic laser profiles for simulations of laser-plasma interaction is critical to reproduce experimental measurements, but the interface between experiments and simulations can be challenging. Similarly, start-to-end simulations…
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,…
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…
Quantum simulations are designed to model quantum systems, and many compilation frameworks have been developed for executing such simulations on quantum computers. Most compilers leverage the capabilities of digital and analog quantum…