Supplementary data for IDPFold2

Supplementary data for Extending Conformational Ensemble Prediction to Multidomain Proteins and Protein Complex.

Contents:

• Checkpoints:

  • IDPFold2_ema_0.999_260114.pth: Inference, EMA checkpoint for training.

  • IDPFold2_260114.pth: For training.

• Metadata of the training set:

  • train_set_metadata.zip: Containing information of all used training datasets.

• Benchmark data:

  • Peptone_SAXS.tgz: Generated ensembles backmapped with cg2all, SAXS profiles and reweighted results.

  • Peptone_CS.tgz: Generated ensembles, CS profiles and reweighted results.

  • Peptone_Integrative.tgz: Generated ensembles, SAXS and CS data, and reweighted results.

• Plotting scripts and other contents will update in the next version.