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.

Top 23 Python HPC Projects

  • ColossalAI

    Making large AI models cheaper, faster and more accessible

    Project mention: FLaNK AI-April 22, 2024 | dev.to | 2024-04-22
  • Scout Monitoring

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  • spack

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

    Project mention: Spack – a multi-platform, multi-version package manager for OS X, Windows, Linux | news.ycombinator.com | 2024-08-05
  • udocker

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

  • covalent

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

    Project mention: Remote execution of code | /r/Python | 2023-12-05

    Pretty interesting request, if SSH is not used, i would try using something like dask which uses tcp to connect and execute assuming your workers are in another machine.I also think something like covalent can be used to extend your own custom plugin in their ecosystem to connect how you want. We have a very custom private plugin written on top of covalent's to have a custom protocol to connect our central on-prem GPU machines to our local laptops that is rpc based, mostly for high performance as well as some mandate security from where the GPU machines are. Once done it is pretty much something like

  • prometeo

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

    Project mention: Borgo is a statically typed language that compiles to Go | news.ycombinator.com | 2024-04-30

    Not impossible but I guess you might end up with an extra runtime layer and some more dynamic operations will not be very fast. Or you restrict it to a subset of Python like this project does: https://github.com/zanellia/prometeo

    You could of course write a bytecode VM in Golang but I guess that defeats the purpose.

  • devito

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

  • hpc-container-maker

    HPC Container Maker

  • SaaSHub

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  • arrayfire-python

    Python bindings for ArrayFire: A general purpose GPU library.

  • jug

    Parallel programming with Python

  • easybuild-easyconfigs

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

  • pyccel

    Python extension language using accelerators

  • JAXFLUIDS

    Differentiable Fluid Dynamics Package

    Project mention: Show HN: Elodin – A better framework for physics simulation | news.ycombinator.com | 2024-03-06

    You are completely correct; right now it is just mechanics that we have built out. But, there isn't any theoretical reason you couldn't use this framework for other types of simulation. In particular, the Monte Carlo runner is super flexible. Since we are based on JAX you can utilize a ton of the tooling that others have built in the physics space like https://github.com/tumaer/JAXFLUIDS or https://github.com/DifferentiableUniverseInitiative/jax_cosm... . The goal right now though is pretty firmly focused on controls engineers and their needs, but we envision this becoming broadly used.

  • deephyper

    DeepHyper: Scalable Asynchronous Neural Architecture and Hyperparameter Search for Deep Neural Networks

  • arkouda

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

    Project mention: Mojo is now available on Mac | news.ycombinator.com | 2023-10-19

    Those interested in the intersection between Python, HPC, and data science may want to take a look at Arkouda, which is a Python package for data science at massive scales (TB of memory) at interactive rates (seconds), powered by Chapel:

    * https://github.com/Bears-R-Us/arkouda

  • SmartSim

    SmartSim Infrastructure Library.

  • shenfun

    High performance computational platform in Python for the spectral Galerkin method

  • singularity-hpc

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

  • entangle

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

  • luna

    Provisioning tool for clusters (by dchirikov)

  • waldur-mastermind

    Waldur MasterMind is a hybrid cloud orchestrator.

  • pavilion2

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

  • hpc-rocket

  • spack-manager

    A project and machine deployment model using Spack

    Project mention: C++ Package Managers: The Ultimate Roundup | news.ycombinator.com | 2024-02-24

    There is also `spack develop`, on which people are building hack/build/test loops. You can `spack develop` any package in spack, and easily build with a modified version of something.

    See also https://github.com/sandialabs/spack-manager.

  • 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 38,736
2 spack 4,255
3 udocker 1,344
4 covalent 761
5 prometeo 620
6 devito 559
7 hpc-container-maker 452
8 arrayfire-python 415
9 jug 412
10 easybuild-easyconfigs 375
11 pyccel 349
12 JAXFLUIDS 317
13 deephyper 274
14 arkouda 240
15 SmartSim 231
16 shenfun 197
17 singularity-hpc 111
18 entangle 104
19 luna 58
20 waldur-mastermind 48
21 pavilion2 43
22 hpc-rocket 26
23 spack-manager 25

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