high-throughput-computing

There are 24 repositories under high-throughput-computing topic.

  • BOINC/boinc

    Open-source software for volunteer computing and grid computing.

    Language:PHP2.1k1143.1k454

  • RadonPy/RadonPy

    RadonPy is a Python library to automate physical property calculations for polymer informatics.

    Language:Python15341121

  • ledatelescope/bifrost

    A stream processing framework for high-throughput applications.

    Language:Python671614929

  • oekosheri/GB_code

    A grain boundary generation code

    Language:Python5851036

  • htcondor/htmap

    High-Throughput Computing in Python, powered by HTCondor

    Language:Python331514810

  • molmd/mispr

    A software for automating materials science computations

    Language:Python30426

  • aws-samples/twingraph

    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.

    Language:Python286108

  • pycondor/pycondor

    Build and submit workflows to HTCondor in Python

    Language:Python2466217

  • 12HuYang/GridFree

    An App counts the number of components in an image.

    Language:Python21239

  • npavlovikj/ProkEvo

    ProkEvo - an automated, reproducible, and scalable framework for high-throughput bacterial population genomics analyses.

    Language:Jupyter Notebook17605

  • espottesmith/MPcat

    An interface between the Materials Project software suite and the Schrodinger Python API, designed to allow for high-throughput execution of Jaguar and AutoTS calculations for molecular thermodynamics and kinetics.

    Language:Python12203
  • ElphonPy

    condmatr/ElphonPy

    Python Interface for Quantum Espresso and EPW codes.

    Language:Python8104

  • BOINC/boinc-autodock-vina

    Language:C++75240

  • hachmannlab/chemhtps

    ChemHTPS is an automated high-throughput screening platform for generating materials and chemical data

    Language:Python6401

  • SmartDataInnovationLab/spark.condor

    Submit file and shell script to start Apache Spark in standalone mode on HTCondor

    Language:Shell5242

  • rashatwi/mispr-dataset

    Materials property datasets using high-throughput DFT simulations

    3001

  • kumaranu/quacc_tests

    This repository contains wrapper scripts for running transition state and IRC (Intrinsic Reaction Coordinate) calculations using Sella and IRC ASE optimizers for the Sella package.

    Language:Python2100

  • ledatelescope/bifrost_tutorial

    A collection of examples that show how to use various features in the Bifrost framework.

    2413

  • poshtkohi/dotgrid

    A .NET-based middleware for Grid and Cloud Computing

    Language:C#1111

  • edukait/laocoon

    High-throughput image analysis for automatic cell counting.

    Language:Python0100

  • githubfoam/openhpc-sandbox

    openhpc

    Language:Shell12

  • MatthewWolff/CHTC

    A series of scripts used for transferring and validating files with gluster, and for submitting condor jobs

    Language:Shell30

  • rlan/htcondor

    HTCondor configuration for GPU jobs

    Language:Python321

  • SpaceCowboyLive/Roam

    A blockchain project for mobile phones to decentralize mining and distribute trust.

    10