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chemle / emle-engine Public

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Add model training with mini-batches#59

Draft

JMorado wants to merge 8 commits into

chemle:mainchemle/emle-engine:mainfrom

JMorado:feature_batchingJMorado/emle-engine:feature_batchingCopy head branch name to clipboard

Conversation Commits8 (8)Checks Files changed

Draft

Add model training with mini-batches#59
JMorado wants to merge 8 commits into
chemle:mainfrom
JMorado:feature_batching

Commits

Commits on Jul 23, 2025

Add mini-batch training
JMorado
committed
Add lazy calculation of AEVs, IVM, and s training using disk-written batches
JMorado
committed
Fix bug preventing training of sqrtk_ref
JMorado
committed
Ruff formatting
JMorado
committed
Refactor to use DataLoader
JMorado
committed
Add multi GPU training with DDP
JMorado
committed
Small fixes
JMorado
committed

Commits on Jul 25, 2025

Add IVM checkpointing and loading
JMorado
committed

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