Cleanup#28

Merged

ch4perone merged 15 commits intomainfrom

Apr 28, 2026

Commits on Feb 23, 2026

Commits on Mar 5, 2026

finalized train and preprocessing scripts
pbenner
committed

Commits on Mar 6, 2026

Commits on Mar 9, 2026

Refactor training pipeline, fix MOL edge-count accumulation, and add MOL regression tests
pbenner
committed

Commits on Apr 19, 2026

Commits on Apr 23, 2026

hardcode hydrogen masses (removes warning)
ch4perone
committed

Commits on Apr 28, 2026