Python HPC

Open-source Python projects categorized as HPC

High Performance Computing. Scientists, engineers, and researchers use high performance computing (HPC) for incredibly computationally intensive tasks, like those used in weather forecasting, oil and gas exploration, physics, quantum mechanics, and other areas.

While HPC can be run on a single system, its real power comes from connecting multiple HPC nodes into a cluster, which may also be called a supercomputer. This provides the capabilities to compute extreme-scale simulations that are not feasible or even possible on a single system.

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Top 23 Python HPC Projects

HPC

  1. ColossalAI

    Making large AI models cheaper, faster and more accessible

  2. InfluxDB

    InfluxDB – Built for High-Performance Time Series Workloads. InfluxDB 3 OSS is now GA. Transform, enrich, and act on time series data directly in the database. Automate critical tasks and eliminate the need to move data externally. Download now.

    InfluxDB logo

  3. spack

    A flexible package manager that supports multiple versions, configurations, platforms, and compilers.

    Project mention: The Future of Flatpak | news.ycombinator.com | 2025-05-22

  4. udocker

    A basic user tool to execute simple docker containers in batch or interactive systems without root privileges.

  5. covalent

    Pythonic tool for orchestrating machine-learning/high performance/quantum-computing workflows in heterogeneous compute environments. (by AgnostiqHQ)

  6. prometeo

    An experimental Python-to-C transpiler and domain specific language for embedded high-performance computing

  7. devito

    DSL and compiler framework for automated finite-differences and stencil computation

  8. hpc-container-maker

    HPC Container Maker

  9. SaaSHub

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  10. jug

    Parallel programming with Python

  11. arrayfire-python

    Python bindings for ArrayFire: A general purpose GPU library.

  12. JAXFLUIDS

    Differentiable Fluid Dynamics Package

  13. easybuild-easyconfigs

    A collection of easyconfig files that describe which software to build using which build options with EasyBuild.

  14. pyccel

    Python extension language using accelerators

  15. deephyper

    DeepHyper: A Python Package for Massively Parallel Hyperparameter Optimization in Machine Learning

  16. arkouda

    Arkouda (αρκούδα): Interactive Data Analytics at Supercomputing Scale :bear:

  17. SmartSim

    SmartSim Infrastructure Library.

  18. shenfun

    High performance computational platform in Python for the spectral Galerkin method

  19. singularity-hpc

    Local filesystem registry for containers (intended for HPC) using Lmod or Environment Modules. Works for users and admins.

  20. entangle

    A lightweight (serverless) native python parallel processing framework based on simple decorators and call graphs.

  21. waldur-mastermind

    Waldur MasterMind is a hybrid cloud orchestrator.

  22. luna

    Provisioning tool for clusters (by dchirikov)

  23. pavilion2

    Pavilion is a Python 3 (3.5+) based framework for running and analyzing tests targeting HPC systems.

  24. spack-manager

    A project and machine deployment model using Spack

  25. hpc-rocket

  26. SaaSHub

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NOTE: The open source projects on this list are ordered by number of github stars. The number of mentions indicates repo mentiontions in the last 12 Months or since we started tracking (Dec 2020).

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Index

What are some of the best open-source HPC projects in Python? This list will help you:

# Project Stars
1 ColossalAI 40,971
2 spack 4,695
3 udocker 1,493
4 covalent 835
5 prometeo 635
6 devito 609
7 hpc-container-maker 483
8 jug 453
9 arrayfire-python 419
10 JAXFLUIDS 418
11 easybuild-easyconfigs 412
12 pyccel 366
13 deephyper 292
14 arkouda 265
15 SmartSim 248
16 shenfun 215
17 singularity-hpc 121
18 entangle 104
19 waldur-mastermind 59
20 luna 58
21 pavilion2 44
22 spack-manager 28
23 hpc-rocket 26

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