OpenFold3 on Amazon SageMaker JumpStart: Predict biomolecular structures | Amazon Web Services
You can deploy OpenFold3-preview from Amazon SageMaker JumpStart. The OpenFold Consortium and the AlQuraishi Lab at Columbia University developed OpenFold3 as an open source biomolecular structure prediction model. With a few lines of code, you can typically deploy OpenFold3 into your own AWS account. You can then predict the 3D structures of proteins, DNA, RNA, small-molecule ligands, and the complexes they form. The endpoint runs with network isolation, which you can use to help keep your sequences within your AWS account.
Computational drug discovery teams now use structure prediction as a core part of their work. Teams use it in target identification, antibody and protein engineering, and structure-based virtual screening. Teams have found running these models challenging. You need GPU infrastructure, a working CUDA and PyTorch stack, large model checkpoints, and a serving layer that handles requests that take minutes rather than milliseconds. SageMaker JumpStart can handle much of...
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