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@mahdip72 mahdip72 commented Oct 3, 2025

Description

This PR adds two lightweight standalone scripts for PDB ↔ token conversion, addressing issue #5.

Changes Made

  • foldtoken/pdb_to_token.py: Converts PDB files to VQ-VAE token IDs
  • foldtoken/token_to_pdb.py: Converts VQ-VAE token IDs back to PDB files

These scripts follow the logic from the original reconstruct.py but with simplified I/O and no batching for easier standalone use.

Motivation

These scripts enable independent validation and benchmarking of FoldToken's tokenization pipeline, as discussed in issue #5. They maintain accuracy while providing a more accessible interface for researchers.

@gaozhangyang Please review and let me know if any adjustments are needed!

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