CrystalBoltz performs experiment-guided posterior sampling with diffusion models on structure-factor amplitudes for protein structure determination, reporting lower RMSD and R-factors than baselines with 33x faster runtime.
Afsample2 predicts multiple conformations and ensembles with alphafold2.Communications biology, 8(1):373, 2025
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CrystalBoltz: End-to-End Protein Structure Determination via Experiment-Guided Diffusion for X-Ray Crystallography
CrystalBoltz performs experiment-guided posterior sampling with diffusion models on structure-factor amplitudes for protein structure determination, reporting lower RMSD and R-factors than baselines with 33x faster runtime.