PotentialLearning.jl: Optimize your atomistic data and interatomic potential models in your molecular dynamic workflows.
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Updated
Nov 21, 2024 - Julia
PotentialLearning.jl: Optimize your atomistic data and interatomic potential models in your molecular dynamic workflows.
A Julia package for One-Class Active Learning.
Supplementary material for papers at ECML-PKDD 2021 and IAL 2021
Supplementary material for a paper at IAL 2022
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