← Protein structure & design

REXzyme

REXzyme is a protein structure & design tool, first public in 2026, described in bioRxiv preprint (2026). Reaction-to-enzyme translation model (Efficient T5, ~770M) that generates amino-acid sequences from a user-specified chemical reaction in SMILES; Colab notebook for inference.

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CategoryProtein structure & design
TaskReaction-conditioned enzyme sequence generation (SMILES reaction -> AA sequence)
InterfaceHugging Face Transformers; Google Colab notebook
Websitehuggingface.co/AI4PD/REXzyme
Released2026-11-05 (source)
Paperhttps://www.biorxiv.org/content/10.64898/2026.11.04.764151v1 · bioRxiv preprint (2026)
Code licenseApache-2.0
Weights licensemodel card and weights Apache-2.0 on Hugging Face
What this allowsPermissive (commercial OK)
Use, modify and ship it inside closed-source commercial products; keep the license text and copyright notices. What do these mean?
License sourcehuggingface.co/AI4PD/REXzyme/raw/main/README.md · checked 2026-11-06
PricingOpen source
Tags#enzyme-design#generative#reaction-conditioned#protein-language-model
Last checked · links verified

Can I use REXzyme commercially?

Yes. The recorded license is permissive, so closed-source commercial use is allowed if you keep the notices.

What the license types mean · not legal advice.

Specs

TaskReaction-conditioned enzyme sequence generation (SMILES reaction -> AA sequence)
Modalities—
MSA required—
Open weightsYes (Hugging Face AI4PD/REXzyme checkpoints)
GPU need—
InterfaceHugging Face Transformers; Google Colab notebook

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