Materials Science · Physics
Polyply: a python suite for facilitating simulations of (bio-)macromolecules and nanomaterials
Fabian Grünewald, Riccardo Alessandri, Peter C. Kroon, Luca Monticelli +2
2022-02-02
Distributed, Parallel, and Cluster Computing · Computer Science
Simplifying Parallelization of Scientific Codes by a Function-Centric Approach in Python
Jon K. Nilsen, Xing Cai, Bjorn Hoyland, Hans Petter Langtangen
2015-05-18
Molecular Networks · Quantitative Biology
PyNetMet: Python tools for efficient work with networks and metabolic models
D. Gamermann, A. Montagud, R. A. Jaime Infante, J. Triana +2
2012-12-03
Soft Condensed Matter · Physics
relentless: Transparent, reproducible molecular dynamics simulations for optimization
Adithya N Sreenivasan, C. Levi Petix, Zachary M. Sherman, Michael P. Howard
2024-08-07
Robotics · Computer Science
SwarmRL: Building the Future of Smart Active Systems
Samuel Tovey, Christoph Lohrmann, Tobias Merkt, David Zimmer +5
2024-04-26
Computational Physics · Physics
Resolvent4py: a parallel Python package for analysis, model reduction and control of large-scale linear systems
Alberto Padovan, Vishal Anantharaman, Clarence W. Rowley, Blaine Vollmer +2
2026-01-13
Programming Languages · Computer Science
AutoParallel: A Python module for automatic parallelization and distributed execution of affine loop nests
Cristian Ramon-Cortes, Ramon Amela, Jorge Ejarque, Philippe Clauss +1
2018-10-29
Mathematical Software · Computer Science
mlpy: Machine Learning Python
Davide Albanese, Roberto Visintainer, Stefano Merler, Samantha Riccadonna +2
2012-03-02
Quantum Physics · Physics
Optyx: A ZX-based Python library for networked quantum architectures
Mateusz Kupper, Richie Yeung, Boldizsár Poór, Alexis Toumi +2
2025-12-11
Materials Science · Physics
CELL: a Python package for cluster expansion with a focus on complex alloys
Santiago Rigamonti, Maria Troppenz, Martin Kuban, Axel Hübner +1
2023-10-30
Quantitative Methods · Quantitative Biology
PySEAL: A Python wrapper implementation of the SEAL homomorphic encryption library
Alexander J. Titus, Shashwat Kishore, Todd Stavish, Stephanie M. Rogers +1
2018-03-07
Computational Engineering, Finance, and Science · Computer Science
Using Python to Dive into Signalling Data with CellNOpt and BioServices
Thomas Cokelaer, Julio Saez-Rodriguez
2014-12-22
Distributed, Parallel, and Cluster Computing · Computer Science
The BioExcel methodology for developing dynamic, scalable, reliable and portable computational biomolecular workflows
Jorge Ejarque, Pau Andrio, Adam Hospital, Javier Conejero +3
2022-12-20
Machine Learning · Computer Science
OpenML-Python: an extensible Python API for OpenML
Matthias Feurer, Jan N. van Rijn, Arlind Kadra, Pieter Gijsbers +5
2021-06-24
Programming Languages · Computer Science
Asynchronous Execution of Python Code on Task Based Runtime Systems
R. Tohid, Bibek Wagle, Shahrzad Shirzad, Patrick Diehl +8
2019-03-08
Instrumentation and Methods for Astrophysics · Physics
SkyPy: A package for modelling the Universe
Adam Amara, Lucia F. de la Bella, Simon Birrer, Sarah Bridle +17
2021-09-15