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[WIP] EMLE embedding - #159

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epretti wants to merge 8 commits into
openmm:mainfrom
epretti:emle
Draft

epretti wants to merge 8 commits into
openmm:mainfrom
epretti:emle

Add EMLE preprocessing (with cutoff and switching function)

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1 warning and 1 notice
build_test (cpu, mace-aimnet-torchmd)
succeeded Sep 18, 2026 in 15m 41s