cesmix-mit/PotentialLearning.jl

PotentialLearning.jl: Optimize your atomistic data and interatomic potential models in your molecular dynamics workflows.

语言：Julia · GitHub 星标：22 · Fork：10

话题：active-learning · automatic-differentiation · bayesian-inference · composability · differentiable-programming · fitting · hpc · interatomic-potentials

在 GitHub 上查看原仓库