Preparing…
First visit downloads about 15 MB of model weights, then they are cached by the browser.
Drop an image here, paste one, or choose a file
Or try one:
This is the decoder's raw output. It is not validated or canonicalized here — that would need a chemistry toolkit, and shipping one would roughly double the download.
What this is, and what it is not
- 12.1 M parameters, trained from scratch on ChEMBL molecules rendered by RDKit. On its own held-out test set it reaches 0.86 exact match over 3000 molecules; the quantized graphs running here measured the same to within sampling noise. Numbers and method are in the technical report.
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Greedy decoding only. Beam search cannot be exported to ONNX, so this
page is slightly weaker than running the checkpoint locally with
--beam 5. - Scope. Single small drug-like organic molecules, as drawn by RDKit. Photographs of whiteboards, reaction schemes, Markush structures and hand drawings are outside what it was trained on, and it will still confidently return something.
- Do not trust an unverified structure. Check the output against the drawing before using it for anything.
Project overview · how this page is built and deployed · source