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AWS Machine Learning Blog· Malav Shastri·· 16 hr agoAI score36

OpenFold3 on Amazon SageMaker JumpStart: Predict biomolecular structures

OpenFold3 on Amazon SageMaker JumpStart: Predict biomolecular structures

AI summary

Amazon SageMaker JumpStart now lets you deploy OpenFold3-preview, an open source all-atom biomolecular structure prediction model from the OpenFold Consortium and Columbia University's AlQuraishi Lab, to predict 3D structures of proteins, DNA, RNA, small-molecule ligands and their complexes. The post walks through deploying it on an asynchronous inference endpoint, submitting prediction jobs, interpreting mmCIF outputs with pLDDT, PAE and PDE confidence metrics, running parallel predictions on multi-GPU instances, supplying your own MSAs, and scaling the endpoint to zero when idle.

Source: AWS Machine Learning Blog · aws.amazon.com