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ADT: All-Atom Diffusion Tokenizer for 3D Molecular Structures

Huang, Xuantuo et al.
arXiv (All) · Papers
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machine-learning
Discrete structural tokenization provides a promising route to autoregressive 3D molecular generation. Yet, existing tokenizers face a trade-off between compact representation and all-atom reconstruction: atom-level tokens preserve atomic details but produce long sequences, while compact residue-lev
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