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Ryuichiro Ishitani

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Open access Oct 2026

RGI-Toolkit: Differentiable Restraints for Controllable Biomolecular Structure Prediction

Diffusion-based models have substantially advanced biomolecular structure prediction. Within this framework, restraint-guided inference (RGI) corrects the denoiser output at each reverse-diffusion step using a differentiable restraint loss, allowing available experimental information, stereochemical requirements, or a...

Tatsuki Hori, Yoshitaka Moriwaki, Ryuichiro Ishitani · 0 citations

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