Atomic Design Transformer — 3D Molecule Browser

Each page shows 50 XTP-accepted molecules, drawn at random from the paper's generation run, generated by ADT when prompted with the named ring scaffold. Press Play to watch the molecule grow one atom at a time, in the same autoregressive order the model emitted it — starting from the fixed scaffold ring (the first 5–6 atoms) and adding heavy atoms outward. The 3D coordinates are exactly what the network produced (pre-xTB).

These are a small curated sample (first 50 per scaffold). The full N=10000-per-scaffold generations and the evaluation pipeline are in the repository; see docs/README.md to regenerate these pages for any subset.