ensemble update - #32

Merged

sfluegel05 merged 24 commits into

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feature/ensemble-08-26

Aug 31, 2026

Commits on Jul 28, 2026

separate ensemble from base learner predictions, generalise both ensemble and base learners for inclusion of new ensemble strategies that are not voting-based
sfluegel05
committed
ce757d5

Commits on Jul 29, 2026

remove chebi_graph builder (now done via chebi_utils library)
sfluegel05
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4a167f9
update CLI and integrate MV ensemble into new workflow
sfluegel05
committed
b26ba7c

Commits on Jul 30, 2026

Commits on Aug 3, 2026

fix handling of missing predictions
sfluegel05
committed
4ea20f6
use chebi_utils SMILES / InChI parsing
sfluegel05
committed
32e14a1

Commits on Aug 6, 2026

add DES and LTR ensembles, major fixes to voting ensemble (rescaled confidence) and inconsistency resolution (transitive relations and is-a subgraph)
sfluegel05
committed
4334525

Commits on Aug 7, 2026

add HEX and ILR inconsistency resolution methods, evaluate multiple ensembles at once
sfluegel05
committed
ea3afb1

Commits on Aug 11, 2026

Commits on Aug 12, 2026

add bounded HEX algorithm and add collect-classes step for ensemble classes
sfluegel05
committed
17c72d1

Commits on Aug 13, 2026

various bug fixes and optimizations
sfluegel05
committed
a371097

Commits on Aug 16, 2026

inconsistency resolution fixes and remove legacy methods
sfluegel05
committed
c70d92f

Commits on Aug 18, 2026

add attribution for wmv-f1 + score-based
sfluegel05
committed
a2c21f4

Commits on Aug 31, 2026