TANDEM: Tanimoto similarity-aligned Differential Transformer with annotated molecular formula and tandem MS

Reproducibility archive accompanying the TANDEM manuscript. The release contains a versioned TANDEM code, manuscript and figure-workflow snapshot, compact figure source data, three positive-mode and three negative-mode TANDEM checkpoints, release documentation and checksums. The same materials are maintained in the linked GitHub repository. NIST-20 spectra and NIST-derived pair tables are excluded because the NIST tandem mass spectral library is licensed. The supplied workflows allow licensed users to reconstruct the NIST-20 inputs locally.