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ProteinTensor: AI-Native Biomolecular Tensor Storage for Structural Biology ML

Authors: Moore, Clayton W.;

ProteinTensor: AI-Native Biomolecular Tensor Storage for Structural Biology ML

Abstract

ProteinTensor is a Python library and file format (.ptt) that eliminates redundant preprocessing in structural biology machine learning pipelines. It converts mmCIF/PDB structures - or raw protein sequences - once into a Zarr-backed, LZ4-compressed, memory-mappable store, providing zero-parse access to atomic coordinates, backbone geometry, covalent bond graphs, MSA tokens, pairwise distance features, and protein language model embeddings. Sequence-only entries serve as direct input to AlphaFold- and Boltz-style predictors. Round-trip conversion is lossless, and structure loading is benchmarked at 2-95x faster than mmCIF parsing across proteins from 74 to 3,525 residues.

If you use ProteinTensor in your research, please cite it as below.

Keywords

protein-structure, tensor-format, machine-learning, zarr, boltz, structural-biology, alphafold

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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
0
Average
Average
Average