/colmena

Library for steering campaigns of simulations on supercomputers

Primary LanguagePythonApache License 2.0Apache-2.0

Colmena

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Colmena is a library that supports applications which steer large campaigns of simulations on supercomputers. Such "high-throughput" searches are commonly deployed on HPC and are, historically, guided by humans designating a search space manually — a time-consuming process. Colmena was created to explore building applications high-throughput sweeps that replace human steering with Artificial Intelligence (AI) experimental design methods.

Installation

We use Anaconda to define an environments:

conda env create --file environment.yml --force

will install all packages needed for the colmena library and demo applications.

Consult our Installation Guide.

Using Colmena

We are gradually building demo_apps which illustrate different approaches to using the prototype.

Acknowledgements

This project was supported in part by the Exascale Computing Project (17-SC-20-SC) of the U.S. Department of Energy (DOE) and by DOE’s Advanced Scientific Research Office (ASCR) under contract DE-AC02-06CH11357.