MimicNeoAI resources: trained models, microbial reference database, predicted peptide tables, and molecular dynamics simulation files

This Zenodo record archives the core resources required to reproduce MimicNeoAI analyses, including trained immunogenicity prediction models, the microbial reference database used for microbial peptide discovery, complete predicted peptide result tables, and molecular dynamics simulation files for the deposited TCR–pHLA systems. Included files MimicNeoAI_CrossValidation_and_Final_Models_v1.0.zip: Cross-validation folds and final trained models for microbial, cryptic, and mutation-derived peptide immunogenicity prediction. MimicNeoAI-Refs.zip: Custom microbial reference database files used by the microbial peptide discovery module. MimicNeoAI_All_Predicted_Peptides_v1.0.zip: Complete predicted peptide tables generated in this study. MimicNeoAI-MD-Simulations_v1.0.zip: Molecular dynamics simulation files, including overview tables, per-system source structures, initial coordinates, MD input files, final output coordinates, shared parameter files, and workflow scripts. The MimicNeoAI pipeline source code is publicly available on GitHub and maintained independently to support version control and ongoing development. Please cite this Zenodo record when using the archived resources.