An open source Julia library for active learning of interatomic potentials in atomistic simulations of materials. It incorporates elements of bayesian inference, machine learning, differentiable programming, software composability, and high-performance computing. This package is part of a software suite developed for the CESMIX project.
dannys4 / potentiallearning.jl Goto Github PK
View Code? Open in Web Editor NEWThis project forked from cesmix-mit/potentiallearning.jl
An open source Julia library for active learning of interatomic potentials in atomistic simulations of materials. It incorporates elements of bayesian inference, machine learning, differentiable programming, software composability, and high-performance computing.
Home Page: https://cesmix-mit.github.io/PotentialLearning.jl/dev/
License: MIT License