Gallery, prompt v1

A caffeine molecule in 3D

One frozen prompt and every model that has run it, newest first.

Saturated since 2026-09-21

It is off the board. All five checks are measured, and both models passed all five. It was called on one run per model, so the same evening Qwen3.8 Max had three more runs and passed every check on all three. DeepSeek 4.1 Flash had two valid runs, both perfect, because two more were voided for reading the grader. On 2026-09-22 it had three more with the grader out of reach, and passed every check on all three. A textbook molecule is about what a textbook molecule should cost them. If a new model fails it, it comes back on the board.

The prompt, v1, frozen

Write a PDB file with 3D coordinates for a caffeine molecule, hydrogens included.

Every model, its first three runs.

One square a check, in this order:

  1. C8H10N4O2
  2. Fused purine core
  3. Methyls on N1, N3, N7
  4. Carbonyls at C2 and C6
  5. Flat rings, real bond lengths

passed, failed, undecided.

DeepSeek 4.1 Flash
Qwen3.8 Max

How it is checked

Caffeine, C8H10N4O2: a purine core, a six-membered ring fused to a five-membered ring across two shared carbons, methyls on N1, N3 and N7, carbonyl oxygens at C2 and C6, and the whole ring system flat.

C8H10N4O2measuredAtom records counted by element: 8 C, 10 H, 4 N, 2 O. 24 atoms in total.
Fused purine coremeasuredA 6-ring and a 5-ring found in the bond graph, sharing exactly two atoms.
Methyls on N1, N3, N7measuredEach CH3 carbon traced to the nitrogen it is bonded to.
Carbonyls at C2 and C6measuredBoth terminal oxygens traced to their ring carbon.
Flat rings, real bond lengthsmeasuredOut-of-plane RMS of each ring, and every heavy-atom bond length.

What replaces it: Ask for the crystal conformer, where the methyl hydrogens have a defined rotation.

The rules behind all of thisThis task's prompt, checks and any checker, on GitHub