29 results for “topic:high-throughput-computing”
Open-source software for volunteer computing and grid computing.
Run Slurm on Kubernetes. A Slinky project.
RadonPy is a Python library to automate physical property calculations for polymer informatics.
Code for automated fitting of machine learned interatomic potentials.
A grain boundary generation code
A stream processing framework for high-throughput applications.
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.
A software for automating materials science computations
High-Throughput Computing in Python, powered by HTCondor
Build and submit workflows to HTCondor in Python
An App counts the number of components in an image.
FANS: an open-source, highly efficient, and parallel FFT-based homogenization solver for microscale multiphysics problems.
ProkEvo - an automated, reproducible, and scalable framework for high-throughput bacterial population genomics analyses.
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.
Python Interface for Quantum Espresso and EPW codes.
No description provided.
ChemHTPS is an automated high-throughput screening platform for generating materials and chemical data
Submit file and shell script to start Apache Spark in standalone mode on HTCondor
Fine-tuning M3GNet-IAP on Mannodi group HT-DFT dataset
Materials property datasets using high-throughput DFT simulations
A collection of examples that show how to use various features in the Bifrost framework.
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.
The I in FAIR: Solutions for HeterOgeneous Workflows in Model-based Engineering applications – SHOWME.how
Python library which seamlessly perform high-throughput DFT + ICOHP calculations along with all data analysis which is config Driven
A .NET-based middleware for Grid and Cloud Computing
HTCondor configuration for GPU jobs
openhpc
A series of scripts used for transferring and validating files with gluster, and for submitting condor jobs
High-throughput image analysis for automatic cell counting.