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high-throughput-computing

Here are 23 public repositories matching this topic...

BOINC / boinc

Open-source software for volunteer computing and grid computing.

php science c-plus-plus distributed-computing scientific-computing high-performance-computing boinc citizen-science hacktoberfest volunteer-computing grid-computing high-throughput-computing

Updated Apr 28, 2024
PHP

RadonPy / RadonPy

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

data-science polymer simulation modeling molecular-dynamics molecular-dynamics-simulation lammps rdkit materials-science materials-informatics data-driven-design polymer-simulation high-throughput-computing psi4 polymer-informatics

Updated Dec 26, 2023
Python

ledatelescope / bifrost

A stream processing framework for high-throughput applications.

python pipeline cpp astronomy gpu cuda bifrost high-performance-computing radio-astronomy high-throughput-computing

Updated Apr 25, 2024
Python

oekosheri / GB_code

A grain boundary generation code

python linear-algebra crystallography high-throughput-computing grain-boundaries

Updated Sep 12, 2023
Python

htcondor / htmap

High-Throughput Computing in Python, powered by HTCondor

python distributed-computing htcondor high-throughput-computing

Updated Jan 8, 2024
Python

molmd / mispr

A software for automating materials science computations

python database molecular-dynamics density-functional-theory materials-science materials-informatics high-throughput-computing

Updated Apr 25, 2024
Python

pycondor / pycondor

Build and submit workflows to HTCondor in Python

python workflow distributed-computing htcondor high-throughput-computing

Updated Aug 30, 2023
Python

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.

docker kubernetes aws lambda hpc containers orchestration-framework batch high-performance-computing cloud-computing simulations high-throughput-computing mlops eks machine-learning-framework digital-twins

Updated Jan 11, 2024
Python

12HuYang / GridFree

An App counts the number of components in an image.

python pca k-means high-throughput-computing seed-count seedsize-measure

Updated Jul 18, 2023
Python

npavlovikj / ProkEvo

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

high-performance-computing osg high-throughput-computing bacterial-genome-analysis pegasus-workflow-management

Updated Aug 16, 2021
Jupyter Notebook

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.

chemistry reaction-network materials-science schrodinger high-throughput-computing materials-genome

Updated Apr 8, 2024
Python

condmatr / ElphonPy

Python Interface for Quantum Espresso and EPW codes.

python electron-phonon jupyterlab preprocessing quantum-espresso qe postprocessing high-throughput-computing epw

Updated Apr 14, 2024
Python

BOINC / boinc-autodock-vina

science distributed-computing scientific-computing high-performance-computing boinc citizen-science volunteer-computing grid-computing high-throughput-computing autodock-vina

Updated Apr 25, 2024
C++

hachmannlab / chemhtps

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

quantum-mechanics high-throughput-computing material-informatics molecular-modelling

Updated Aug 2, 2020
Python

SmartDataInnovationLab / spark.condor

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

spark scheduler htcondor batch-processing high-throughput-computing

Updated Oct 21, 2018
Shell

rashatwi / mispr-dataset

Materials property datasets using high-throughput DFT simulations

dft redox computational-chemistry nmr bde high-throughput-computing high-throughput-data-analysis mispr

Updated Aug 2, 2022

ledatelescope / bifrost_tutorial

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

python pipeline cpp astronomy gpu cuda bifrost high-performance-computing radio-astronomy high-throughput-computing

Updated Jul 28, 2022

poshtkohi / dotgrid

A .NET-based middleware for Grid and Cloud Computing

security cryptography csharp dotnet cloud-computing threading software-engineering grid-computing cluster-computing supercomputing high-throughput-computing file-transfer-protocol cryptographic-accelerator dotgrid

Updated Oct 7, 2022
C#

SpaceCowboyLive / Roam

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

mobile distributed-computing mobile-app cryptocurrency grid-computing high-throughput-computing

Updated Oct 20, 2017

rlan / htcondor

HTCondor configuration for GPU jobs

configuration htcondor gpu-computing high-throughput-computing

Updated Oct 18, 2019
Python

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