#安卓#Open-source software for volunteer computing and grid computing.
RadonPy is a Python library to automate physical property calculations for polymer informatics.
Run Slurm on Kubernetes. A Slinky project.
Code for automated fitting of machine learned interatomic potentials.
A stream processing framework for high-throughput applications.
High-Throughput Computing in Python, powered by HTCondor
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 incl...
A software for automating materials science computations
Build and submit workflows to HTCondor in Python
An App counts the number of components in an image.
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...
Python Interface for Quantum Espresso and EPW codes.
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
Materials property datasets using high-throughput DFT simulations
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.
A collection of examples that show how to use various features in the Bifrost framework.