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AI in HealthcareOpen-Source AIAmazon AI BlogPublished: Nov 14, 2026, 10:00 JST

OpenFold3-preview now deployable via Amazon SageMaker JumpStart

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OpenFold3-preview now deployable via Amazon SageMaker JumpStart

3 Key Points

  1. What happened

    The OpenFold Consortium and Columbia University's AlQuraishi Lab built OpenFold3, an open-source model now deployable from Amazon SageMaker JumpStart to predict 3D structures of proteins, DNA, RNA, and ligands.

  2. Why it matters

    Drug discovery teams can now run these structure predictions inside their own AWS account, with network isolation helping keep proprietary sequences private; the model is released under the Apache 2.0 license.

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Context & Analysis

OpenFold3 is an all-atom structure prediction model that folds multi-chain protein complexes, protein–nucleic acid assemblies, and protein–ligand complexes in a single prediction. The developers describe OpenFold3-preview as a research preview, and it runs in an AWS-maintained container on a managed Amazon SageMaker AI endpoint. The endpoint uses asynchronous inference because folding time grows with the number and length of chains in a query, and real-world proteins often take several minutes, exceeding the 60-second cap of a real-time endpoint. This design queues bursts of requests internally and can scale to zero instances when the queue is empty, which helps avoid paying for idle instances between experiments. For proprietary sequences, the endpoint runs with network isolation and accepts precomputed MSAs, so teams generate alignments on infrastructure they control rather than sending sequences to a public server. In a test co-folding carbonic anhydrase II with zinc and acetazolamide, supplying an MSA substantially improved confidence metrics and recovered the known binding mode, while prediction time stayed around 1.5 minutes.

FAQ
What types of molecules can OpenFold3 predict structures for?
OpenFold3 can predict 3D structures for proteins, DNA, RNA, and small-molecule ligands (supplied as SMILES), as well as the complexes they form, including multi-chain protein complexes and protein–ligand complexes.
How much does an MSA improve prediction accuracy?
In a test folding a carbonic anhydrase II–zinc–acetazolamide complex, average pLDDT rose from 30 without an MSA to 98 with one; pTM went from 0.22 to 0.98 and ipTM from 0.49 to 0.98.
What license is OpenFold3 released under?
The OpenFold3 developers release its code and model weights under the Apache 2.0 license, and they publish the training data and methods.
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