Atompack delivers 96x faster shuffled reads and 79% smaller artifacts than ASE LMDB baselines for complete-record atomistic ML training workloads.
Improving machine-learning models in materials science through large datasets.Materials Today Physics, 48:101560, 2024
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Atompack: A Storage and Distribution Layer for Read-Heavy Atomistic ML Training Datasets
Atompack delivers 96x faster shuffled reads and 79% smaller artifacts than ASE LMDB baselines for complete-record atomistic ML training workloads.