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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

The Python package fluidfft provides a common Python API for performing Fast Fourier Transforms (FFT) in sequential, in parallel and on GPU with different FFT libraries (FFTW, P3DFFT, PFFT, cuFFT). fluidfft is a comprehensive FFT framework…

Mathematical Software · Computer Science 2019-04-11 Ashwin Vishnu Mohanan , Cyrille Bonamy , Pierre Augier

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…

Call graphs play an important role in different contexts, such as profiling and vulnerability propagation analysis. Generating call graphs in an efficient manner can be a challenging task when it comes to high-level languages that are…

Programming Languages · Computer Science 2021-03-02 Vitalis Salis , Thodoris Sotiropoulos , Panos Louridas , Diomidis Spinellis , Dimitris Mitropoulos

We introduce ProcFunc, a library for Blender-based procedural 3D generation in Python. ProcFunc provides a library of easy-to-use Python functions, which streamline creating, combining, analyzing, and executing procedural generation code.…

Computer Vision and Pattern Recognition · Computer Science 2026-04-30 Alexander Raistrick , Karhan Kayan , Jack Nugent , David Yan , Lingjie Mei , Meenal Parakh , Hongyu Wen , Dylan Li , Yiming Zuo , Erich Liang , Jia Deng

Over the past decade, the Python-based Simulations of Chemistry Framework (PySCF) has developed into a widely used open-source platform for electronic structure theory and quantum chemical method development. This article reviews the major…

Chemical Physics · Physics 2026-04-09 Qiming Sun , Matthew R Hermes , Xiaojie Wu , Huanchen Zhai , Xing Zhang , Abdelrahman M. Ahmed , Juan José Aucar , Oliver J. Backhouse , Samragni Banerjee , Peng Bao , Nikolay A. Bogdanov , Kyle Bystrom , Frédéric Chapoton , Ning-Yuan Chen , Ivan Yu. Chernyshov , Helen S. Clifford , Sander Cohen-Janes , Zhi-Hao Cui , Yann D. Damour , Nike Dattani , Linus Bjarne Dittmer , Sebastian Ehlert , Janus Juul Eriksen , Francesco A. Evangelista , Simon A. Ewing , Ardavan Farahvash , Kevin Focke , Yang Gao , Kevin E. Gasperich , Nathan Gillispie , Jonas Greiner , Matthew R. Hennefarth , Jan Hermann , Christopher Hillenbrand , Joonatan Huhtasalo , Basil Ibrahim , Bhavnesh Jangid , Alireza Nejati Javaremi , Andrew J. Jenkins , Yu Jin , Daniel S. King , Derk Pieter Kooi , Jo S. Kurian , Henrik R. Larsson , Bryan Tak Gwong Lau , Seunghoon Lee , Susi Lehtola , Chenghan Li , Hao Li , Jiachen Li , Rui Li , Shuhang Li , Aleksandr O. Lykhin , Ankit Mahajan , Nastasia Mauger , Pablo del Mazo-Sevillano , Jonathan Moussa , Kousuke Nakano , Verena A. Neufeld , Linqing Peng , Hung Q. Pham , Peter Pinski , Pavel Pokhilko , Zhichen Pu , Yubing Qian , Stephen Jon Quiton , Wanja T. Schulze , Thais R. Scott , Aniruddha Seal , James D. Serna , James E. T. Smith , Kori E. Smyser , Terrence Stahl , Chong Sun , Kevin J. Sung , Egor Trushin , Shiv Upadhyay , Ethan A. Vo , Thijs Vogels , Shirong Wang , Tai Wang , Xiao Wang , Xubo Wang , Yuanheng Wang , Mark Williamson , Junjie Yang , Hong-Zhou Ye , Chia-Nan Yeh , Haiyang Yu , Jincheng Yu , Victor Wen-zhe Yu , Chaoqun Zhang , Dayou Zhang , Yichi Zhang , Zijun Zhao , Zehao Zhou , Andrew J. Zhu , Tianyu Zhu , Timothy C. Berkelbach , Laura Gagliardi , Sandeep Sharma , Alexander Sokolov , Garnet Kin-Lic Chan

Graph representations of programs are commonly a central element of machine learning for code research. We introduce an open source Python library python_graphs that applies static analysis to construct graph representations of Python…

Machine Learning · Computer Science 2022-08-17 David Bieber , Kensen Shi , Petros Maniatis , Charles Sutton , Vincent Hellendoorn , Daniel Johnson , Daniel Tarlow

FluidDyn is a project to foster open-science and open-source in the fluid dynamics community. It is thought of as a research project to channel open-source dynamics, methods and tools to do science. We propose a set of Python packages…

Other Computer Science · Computer Science 2019-04-10 Pierre Augier , Ashwin Vishnu Mohanan , Cyrille Bonamy

The recomputability and reproducibility of results from scientific software requires access to both the source code and all associated input and output data. However, the full collection of these resources often does not accompany the key…

Computational Engineering, Finance, and Science · Computer Science 2015-12-24 Christian T. Jacobs , Alexandros Avdis , Gerard J. Gorman , Matthew D. Piggott

Pykg2vec is an open-source Python library for learning the representations of the entities and relations in knowledge graphs. Pykg2vec's flexible and modular software architecture currently implements 16 state-of-the-art knowledge graph…

Artificial Intelligence · Computer Science 2019-06-12 Shih Yuan Yu , Sujit Rokka Chhetri , Arquimedes Canedo , Palash Goyal , Mohammad Abdullah Al Faruque

The growing popularity of generative flow networks (GFlowNets or GFNs) from a range of researchers with diverse backgrounds and areas of expertise necessitates a library that facilitates the testing of new features (e.g., training losses…

Machine Learning · Computer Science 2026-03-23 Joseph D. Viviano , Omar G. Younis , Sanghyeok Choi , Victor Schmidt , Yoshua Bengio , Salem Lahlou

Python is known to be a versatile language, well suited both for beginners and advanced users. Some elements of the language are easier to understand than others: some are found in any kind of code, while some others are used only by…

We introduce pyGSL, a Python library that provides efficient implementations of state-of-the-art graph structure learning models along with diverse datasets to evaluate them on. The implementations are written in GPU-friendly ways, allowing…

Machine Learning · Computer Science 2022-11-08 Max Wasserman , Gonzalo Mateos

The advent of modern data processing has led to an increasing tendency towards interdisciplinarity, which frequently involves the importation of different technical approaches. Consequently, there is an urgent need for a unified data…

Machine Learning · Computer Science 2024-06-04 Chen Zhang , Lecheng Jia , Wei Zhang , Ning Wen

Python has become the de-facto language for training deep neural networks, coupling a large suite of scientific computing libraries with efficient libraries for tensor computation such as PyTorch or TensorFlow. However, when models are used…

Machine Learning · Computer Science 2021-04-02 Zachary DeVito , Jason Ansel , Will Constable , Michael Suo , Ailing Zhang , Kim Hazelwood

There is a need for open-source libraries in emission tomography that (i) use modern and popular backend code to encourage community contributions and (ii) offer support for the multitude of reconstruction techniques available in recent…

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…

Neural and Evolutionary Computing · Computer Science 2021-06-14 Ahmed Fawzy Gad

Hardware generation languages (HGLs) increase hardware design productivity by creating parameterized modules and test benches. Unfortunately, existing tools are not widely adopted due to several demerits, including limited support for…

Hardware Architecture · Computer Science 2023-09-12 Jintao Sun , Zeke Wang , Tao Lu , Wenzhi Chen

The Python Testbed for Federated Learning Algorithms is a simple Python FL framework that is easy to use by ML&AI developers who do not need to be professional programmers and is also amenable to LLMs. In the previous research, generic…

Artificial Intelligence · Computer Science 2025-09-08 Miroslav Popovic , Marko Popovic , Miodrag Djukic , Ilija Basicevic
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