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ACEpotentials.jl

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ACEpotentials.jl facilitates the creation and use of atomic cluster expansion (ACE) interatomic potentials. See the documentation for installation instructions, tutorials, and more.



NOTE! An earlier version provided JSON and command line interfaces for constructing ACE models without direct use of Julia scripts. These have become outdated and for the time being we recommend using ACEpotentials.jl via the Julia interfaces.

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Machine Learning Interatomic Potentials with the Atomic Cluster Expansion

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