The reliability and usefulness of molecular dynamics simulations of equilibrium processes rests on their statistical precision and their capability to generate conformational ensembles in agreement wi

NIAID Data Ecosystem20

CFOLD Raw Dataset for ProteinShake

蛋白质结构预测

构象集合分析

Raw data from the CFOLD binary conformational ensemble benchmark. Contains 242 protein ensembles with exactly 2 PDB structures each (484 total), metadata CSVs, and pairwise GT-GT TM-score matrices.

Zenodo2026-03-19 更新10