Ensembits is the first tokenizer of protein conformational ensembles that outperforms static tokenizers on RMSF prediction and matches them on function and mutation tasks while using less pretraining data.
Algorithm 1Residual Vector Quantization Require:z , the latent produced by the set encoder; codebooks Cℓ with quantization operators Qℓ for ℓ= 1
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ENSEMBITS: an alphabet of protein conformational ensembles
Ensembits is the first tokenizer of protein conformational ensembles that outperforms static tokenizers on RMSF prediction and matches them on function and mutation tasks while using less pretraining data.