Published February 27, 2025 | Version v3
Dataset Open

Spike-MD Data for "CryoBench: Diverse and challenging datasets for the heterogeneity problem in cryo-EM"

Creators

  • 1. ROR icon Princeton University
  • 2. ROR icon Flatiron Institute
  • 3. ROR icon University of British Columbia

Description

A synthetic cryo-EM dataset with heterogeneity from a molecular dynamics simulation and ground truth atomic models, poses, labels, mask, and consensus volume:

  • Spike-MD: 100k particle images (256x256, 1.5A/pix) of SARS-CoV-2 spike protein with conformations sampled from a molecular dynamics simulation from Wieczór et al. (2023)
  • sampled_pdbs.xtc: atomic models stitched into a trajectory
  • seed_structure.pdb: initial seed structure for .xtc trajectory

Files

Spike-MD.zip

Files (44.6 GB)

Name Size Download all
md5:b27e2f54028cea387dcf7737c97f2544
20.2 GB Download
md5:6abe9cd978e72a757348861e390c2b0e
4.3 MB Download
md5:a0553843d0a50c2605a0a835d4f64301
24.4 GB Preview Download

Additional details

Software

Repository URL
https://github.com/ml-struct-bio/CryoBench