Platform · Prediction & modeling
A toxicity model you can read, run, and build on.
ToxTransformer is our in-house molecular toxicity model, open source and available today. It predicts 6,647 toxicity endpoints from structure alone, and the architecture, weights, and training code are all public — so you can see how a prediction is made, run it on your own molecules, or fine-tune it for your chemistry.
Updated July 18, 2026
- 6,647
- toxicity endpoints
- Open
- source, on GitHub
- Today
- available now
Capabilities
What ToxTransformer does
Open source
The model is public — architecture, weights, and training code — so the field can inspect it, run it, and build on it.
Structure to prediction
Score a molecule across 6,647 toxicity endpoints from its structure, no assay required.
Yours to extend
Fine-tune it on your own chemistry, or wire it into a pipeline through ToxJobs — nothing is locked behind an API.
Related
Works closely with
FAQ
ToxTransformer questions, answered
Frequently asked questions
What is ToxTransformer?
ToxTransformer is ToxIndex's in-house, open-source molecular toxicity model. It predicts 6,647 toxicity endpoints from chemical structure and is available today.
Is ToxTransformer really open source?
Yes. The architecture, weights, and training code are public at github.com/biobricks-ai/toxtransformer, so you can inspect it, run it, and extend it.
How is ToxTransformer different from Pleiome?
ToxTransformer is available today and open source, covering 6,647 endpoints. Pleiome is its generative successor, in development, predicting 150,000+ endpoints at once with inverse design.
See it on your own chemistry.
Try the free version now, or book a walkthrough of the full platform on your substances.