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Major package refactor #19

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emmanuellujan opened this issue Jul 8, 2022 · 1 comment

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emmanuellujan commented Jul 8, 2022

Package refactor integrating the code of the following sources:

Latest developments in atomistic composable worflows: https://github.com/cesmix-mit/AtomisticComposableWorkflows/tree/master/ACE
Active learning branch: https://github.com/cesmix-mit/PotentialLearning.jl/tree/active_learning_refactor
Old refactor branch: https://github.com/cesmix-mit/PotentialLearning.jl/tree/refactor

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emmanuellujan commented Jul 16, 2022

First refactoring iteration done. See #20

Goal:

Gather all functions related to the learning process in this package.
Based on these functions, and the old interfaces, generate the abstractions that we really need.

Currently I am gathering the functions associated with the branch refactor. This branch facilitates the development of the case studies in https://github.com/cesmix-mit/AtomisticComposableWorkflows.

Next, the functions associated with the branch active_learning_refactor will be integrated.

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Add DPP subset selection features #22

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dallasfoster mentioned this issue

Active learning refactor #25

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emmanuellujan closed this as completed

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