arXiv AI By Mingrui Li, Minzhang Li, Weichen Qin, Yufan Xie, Zhangzhi Xiong, Sixian Shen, Jiakai Zhang, Yuan Pei, Jingyi Yu

CryoAtlas: A Large Curated Dataset and Unified Benchmark for Cryo-EM Atomic Model Building

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CryoAtlas is a large, rigorously curated dataset and unified benchmark for density‑guided atomic model building of protein chains from cryo‑EM maps. It compiles 17,809 map‑model‑sequence entries from EMDB and PDB (up to March 2026), with a 16,657‑entry training split, and defines a 618‑target benchmark that evaluates structural accuracy, map fit, and stereochemical validity. The resource enables systematic comparison of learning‑based methods with traditional tools like Phenix and AlphaFold3, and demonstrates that retraining a CNN component on CryoAtlas improves performance.

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arXiv AI
Oct 2

Fold'EM: Direct atomic structure inference from Cryo-EM particles

Fold'EM is an inference-time framework that directly combines protein generative model priors with cryo‑EM particle images to recover atomic structures, bypassing the traditional density reconstruction step. It can determine structures from a small number of particles, jointly infer orientations in an ab‑initio setting, and resolve distinct conformational states in heterogeneous samples without separate map reconstruction. The method demonstrates accurate atomic models on both synthetic and experimental datasets, showing promise for low‑sample and low‑population conformational analysis.

By Advaith Maddipatla, M\"art-Erik M\"aeots, Marco Pegoraro, Nikolaus Dr\"ager, Roberto Covino, Sanketh Vedula, Martin Pacesa, Alex M. Bronstein