Data module (AtomicData, Batch, readers/writers)#
Core classes#
Atomic data structure for molecular systems. |
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Graph-aware batch built on |
I/O and pipelines#
Writer for serializing AtomicData into Zarr stores. |
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Reader for loading AtomicData from Zarr stores. |
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AtomicData-native dataset that bypasses TensorDict conversion. |
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Batch-iterating data loader that yields |
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Abstract base class for data readers. |