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InteratomicBasisPotentials.jl

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Extension of InteratomicPotentials.jl that contains machine learning potentials. Right now we support the Spectral Neighbor Analysis Potential (SNAP) potential of Thompson et al. 2015 (see documentation for bibliography) and a naive hacking of the Atomic Cluster Expansion of Drautz 2019 through the ACE1.jl julia package. We are working toward more complete implementation of these machine learning or data-driven potentials in the context of the CESMIX julia suite that seeks to fit and run these potentials for molecular dynamics. For additional details, see the CESMIX ecosystem.

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Extension of InteratomicPotentials.jl that contains machine learning potentials.

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