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.
Note
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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