Welcome to alchemiscale’s documentation!

alchemiscale is a service-oriented execution system for AlchemicalNetworks, suitable for utilizing multiple compute resources, such as HPC clusters, individual hosts, Kubernetes clusters, Folding@Home work servers, etc., to support large campaigns requiring high-throughput.

It is designed for maximum interoperability with the Open Molecular Software Foundation stack, in particular the OpenForceField and OpenFreeEnergy ecosystems.


This software is pre-alpha and under active development. It is not yet ready for production use and the API is liable to change rapidly at any time.

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