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Imperialmscaiutils ⭐ 29

A repo containing useful things for the MSc AI course at Imperial

Examplejobs ⭐ 28

Example job submission and application scripts for Northwestern's Quest computing cluster

Parallel GDB developed for debugging HPC code at Lawrence Livermore National Laboratory.

Wfcommons ⭐ 28

WfCommons: A Framework for Enabling Scientific Workflow Research and Development

Tracacode ⭐ 27

TRaceable ACAdemic CODE repository, all source code from working project.

Covalent Slurm Plugin ⭐ 26

Executor plugin interfacing Covalent with Slurm

Terraform examples for deploying HPC clusters on OCI

Callflow ⭐ 26

Visualization tool for analyzing call trees and graphs

Python For Hpc ⭐ 25

Repository for participants of the "Python for HPC" training

A REST API for creating and using cloud clusters

Automatically take good care of your preemptible TPUs

Numba Mpi ⭐ 24

Numba @njittable wrappers for MPI C API tested on Linux, macOS and Windows

Firecrest ⭐ 22

Qhub Hpc ⭐ 22

Hpchadoop ⭐ 22

Hadoop for Traditional HPC Users

Extra-P, automated performance modeling for HPC applications

This pipeline is executing a RE-EDS run for relative free energy calculations. It can be used for example for calculation of hydration free energies or ligand binding free energies.

Benchpark ⭐ 21

An open collaborative repository for reproducible specifications of HPC benchmarks and cross site benchmarking environments

Ipynbhpc ⭐ 21

Use IPython notebook interactively on a HPC system

Pystella ⭐ 21

A code generator for grid-based PDE solving on CPUs and GPUs

Es_pytorch ⭐ 20

High performance implementation of Deep neuroevolution in pytorch using mpi4py. Intended for use on HPC clusters

Kaleidoscope Sdk ⭐ 20

A user toolkit for analyzing and interfacing with Large Language Models (LLMs)

Total Knowledge of I/O Reference Implementation. Please see wiki for contribution guidelines.

Implementation of the FV3GFS / SHiELD atmospheric model in Python

Spack Manager ⭐ 20

A project and machine deployment model using Spack

Python Mpi Bcast ⭐ 20

python start-up, in a HPC friendly manner

Pararealml ⭐ 19

A machine learning boosted parallel-in-time differential equation solver framework.

Twingraph ⭐ 19

TwinGraph is a Python framework for distributed container orchestration using Kubernetes clusters, Docker Compose/Swarm or cloud resources on AWS (AWS Lambda, AWS Batch, Amazon EKS). Applications include high-throughput simulations, simulation-driven optimization, Digital Twins and machine learning.

Sparkhpc ⭐ 19

launching and controlling spark on hpc clusters

Aws Rosettafold ⭐ 18

Infrastructure template and Jupyter notebooks for running RoseTTAFold on AWS Batch.

Graph-indexed Pandas DataFrames for analyzing hierarchical performance data

Freely programmable source-to-source translation for Fortran

Jaxdecomp ⭐ 18

JAX bindings for the NVIDIA cuDecomp library

MIcro Simulation Tool

Hpccloud Deploy ⭐ 17

VM Deploy for HPC-Cloud

Alphafold_singularity ⭐ 17

Singularity recipe for AlphaFold

Run Python functions locally or in the cloud. Built for computational science.

Pavilion ⭐ 16

HPC testing harness

Adaptivemd ⭐ 16

A python framework to run adaptive Markov state model (MSM) simulation on HPC resources

Aws Decoupled Serverless Scheduler ⭐ 16

AWS Decoupled Serverless Scheduler

Vhpc Toolkit ⭐ 16

Virtualized High Performance Computing Toolkit - A toolkit to help configure and manage virtual high performance computing (HPC) clusters by leveraging vSphere APIs

Hpc Rocket ⭐ 15

High Performance Computing Cluster Engineering Academy within Livermore Computing

Parallelclustermaker ⭐ 15

ParallelClusterMaker is a command line toolkit for automating the creation and destruction of AWS ParallelCluster stacks.

Smartsim Zoo ⭐ 14

A repository of CrayLabs and user contributed examples of using SmartSim.

Workflow for identifying and classifying homologous gene/protein sequences

Upsp Processing ⭐ 14

Software for processing high-speed video recordings from Unsteady Pressure-Sensitive Paint (UPSP) measurement systems. https://nasa.github.io/upsp-processing

Vsc Base ⭐ 14

Basic Python libraries used by UGent's HPC group

Cluster Support ⭐ 14

Reproducible research and reusable acyclic workflows in Python. Execute code on HPC systems as if you executed them on your personal computer!

Hanythingondemand ⭐ 13

hanythingondemand provides a set of scripts to easily set up an ad-hoc Hadoop cluster through PBS jobs

Nondeterministic Stack Rnn ⭐ 13

Code for the paper "The Surprising Computational Power of Nondeterministic Stack RNNs" (DuSell and Chiang, 2023)

Aiida Fleur ⭐ 13

Package containing the AiiDA-FLEUR plugin(s) and some workflows for the FLEUR program (www.flapw.de) implementing DFT methods. This is a JuDFT effort see (www.judft.de).

Slurmtools ⭐ 13

Custom Slurm tools

Hpc Examples ⭐ 13

Examples of Triton usage

Toolchest Client Python ⭐ 13

Toolchest Python client

Clusterjob ⭐ 13

Manage traditional HPC cluster workflows in Python

Simple HPC queuing system adapter for Python on based jinja templates to automate the submission script creation.

Python Hpc Study ⭐ 12

Incremental optimizations to the N-Body problem in order to evaluate and compare the performance of Python translators in the HPC environment.

Phylotoast ⭐ 12

Tools for phylogenetic data analysis including visualization and cluster-computing support.

Snakemake Class ⭐ 12

Class materials for the NIH HPC snakemake class

Userdocker ⭐ 12

Allow admins to grant restricted docker/nvidia-docker commandline access to users.

Cleantest ⭐ 12

A testing framework that brings up clean environments and mini-clusters for developers in a hurry

Implementation of the ROCA attack

Lecturefiresimulation ⭐ 12

Lecture and exercise notes on fire simulations

Distributed Tensorflow Using Mpi ⭐ 11

Template for Deploying Distributed TensorFlow on Clusters Using MPI

PIRA - Automatic Instrumentation Refinement

Saga Hadoop ⭐ 11

Tool for spawning Hadoop Cluster on HPC infrastructures

Hpc Shell ⭐ 11

Materials to teach terminal fundamentals for HPC users

Data-driven risk-conscious thermoelectric materials discovery

PyRSB: a Python interface to the librsb Sparse Matrix library

Dxt Explorer ⭐ 11

DXT Explorer is an interactive web-based log analysis tool for Darshan DXT logs.

Static Python Builds for HPC Systems

Cortix is a Python library for network dynamics modeling and HPC simulation.

Environmentmodules ⭐ 11

Python module for Environment Modules

Miseq 16s Pipeline ⭐ 11

HPC pipeline for overlapping V4 16S rRNA reads generated on Illumina MiSeq

Arnapipe ⭐ 11

Unclebench ⭐ 10

🆓 port4me - Get the Same, Personal, Free TCP Port over and over

Python Distributed Non Negative Matrix Factorization with custom clustering

Hpc Chapel ⭐ 10

HPC Chapel lesson materials

SHAMan is an out-of-the-box Web application to perform black-box auto-tuning of custom computer components running on a distributed system, for an application submitted by a user. It relies on black-box auto-tuning to find the components' parametrization that are the most efficient in terms of execution time. More details can be found at https://shaman-app.readthedocs.io/en/latest/user-g

Unleash the true power of scheduling

Core components of AidData's GeoQuery backend, running on William & Mary's SciClone High Permance Computing cluster.

Particle accelerator modelling and control library

Parallel_closest_object_search ⭐ 10

Parallel search algorithm for finding the closest object in a collection of polygonal models based on Hausdorff Distance with implementation using MPI in Python

A network device configuration and firmware utility. Designed for use on Cray-HPE Shasta systems.

Hpcpythonsc2012 ⭐ 9

WRF Modeling System on Distributed Computing Infrastructures

💻💻💻 A commandline tool for analysis of big biological data sets for distributed HPC clusters.

Traffic model: network, demand and agent-based simulation for San Francisco or other cities.

Fortran code analysis for performance prediction

Online Anomaly Detection for HPC Performance Data

Easybuild.experimental ⭐ 9

This repository is for easybuild open source contributions without restrictions - add your username under the /users directory

📈 Common API (C++ and Python) for Fast Fourier Transform HPC libraries (publish-only mirror)

Workshop Hpc Python ⭐ 9

Workshop materials for HPC with Python

Rocks master repository

Klayout Ipc ⭐ 9

Inter-process control for klayout

runjob is a program for managing a group of related jobs running on a compute cluster

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