Mol2Mat saved-data reproduction bundle
Audit: 2026-10-10. Original measurements: 2026-10-06.

Extract this archive into a new directory. Run:
python replay.py --article vtna

XRD and VTNA replay use Python standard-library modules. Prediction also requires NumPy.
The manifest verifies all packaged evidence files before numerical checks.
No inference or new timing measurement is performed.
Full prediction encoder/cache buffers and model weights are not packaged.
source/ contains repository generation or implementation excerpts; regenerating figures requires the repository archives, NumPy, Matplotlib, RDKit and a CJK font.
Article prose, figures and every input are in data.json and the saved archives.
The XRD fixtures and VTNA curves are synthetic; reaction candidates are model predictions.
