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Thal-Kak: unifying biomolecular structure predictors reveals a sampling-selection gap

Preprint Created on 24 Aug 2026 bioRxiv

Complementary all-atom structure predictors sample different solutions, but how to allocate a fixed sampling budget across them and select the best output remains unclear. Thal-Kak unifies five released predictors under shared upstream inputs and a common schema. Across FoldBench and CASP16, model mixing improves oracle sampling over single-model runs, but selection remains a bottleneck because confidence scores do not transfer across models and existing quality-assessment methods cannot resolve this gap.

Bae, J., Jo, S., Kim, Y., Kim, D., Kim, K., Park, S., Park, S., Myung, S., Shin, H., Kim, M. H., Kang, M., Baek, M.

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