8000 WIP: Committee Model by simonwengert · Pull Request #234 · libAtoms/workflow · GitHub

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WIP: Committee Model#234

Draft

simonwengert wants to merge 7 commits intolibAtoms:mainfrom

simonwengert:committee

Commits on Mar 9, 2023

Added class CommitteUncertainty and function for subsampling (the committee training sets)
simonwengert
committed

Commits on Mar 10, 2023

altered subsampling selection from random-without-replacement on per-subsample-basis to a more global one, in order to decreaes probability to loose training samples during distribution into subsam…
simonwengert
committed
Outsourced committee-related operations from Calculator-class to separate Committee-class
simonwengert
committed

Commits on Mar 15, 2023

Some cleanup (mainly DOC).
simonwengert
committed

Commits on Mar 16, 2023

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