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Title: MegaFold/README.md at main · Supercomputing-System-AI-Lab/MegaFold · GitHub

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https://github.com/Supercomputing-System-AI-Lab/MegaFold/blob/main/README.md#megafold-efficient-training-of-next-generation-3d-attention-protein-models-on-cross-platform-gpus
https://arxiv.org/abs/2506.20686
https://supercomputing-system-ai-lab.github.io/projects/megafold/
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MegaFoldhttps://arxiv.org/abs/2506.20686
https://github.com/Supercomputing-System-AI-Lab/MegaFold/blob/main/README.md#usage
https://github.com/Supercomputing-System-AI-Lab/MegaFold/blob/main/README.md#install-required-dependencies
https://github.com/Supercomputing-System-AI-Lab/MegaFold/blob/main/README.md#prepare-experiment-dataset
https://github.com/Supercomputing-System-AI-Lab/MegaFold/blob/main/README.md#run-code
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https://github.com/Supercomputing-System-AI-Lab/MegaFold/blob/main/README.md#step-1-import
https://github.com/Supercomputing-System-AI-Lab/MegaFold/blob/main/README.md#step-2-in-code-usage
https://github.com/Supercomputing-System-AI-Lab/MegaFold/blob/main/README.md#step-3-autotuning-for-optimal-performance
https://github.com/Supercomputing-System-AI-Lab/MegaFold/blob/main/README.md#optimization-2-evosp-3d-communication-efficient-sharding-for-2d-pairwise-representations
parallel MSAModulehttps://github.com/Supercomputing-System-AI-Lab/MegaFold/blob/main/megafold/model/megafold.py#L1211-L1254
parallel PairformerStackhttps://github.com/Supercomputing-System-AI-Lab/MegaFold/blob/main/megafold/model/megafold.py#L1482-L1503
parallel DiffusionModulehttps://github.com/Supercomputing-System-AI-Lab/MegaFold/blob/main/megafold/model/megafold.py#L3121-L3173
https://github.com/Supercomputing-System-AI-Lab/MegaFold/blob/main/README.md#optimization-3-evofusion-fused-operator-stack
https://github.com/Supercomputing-System-AI-Lab/MegaFold/blob/main/README.md#step-1-import-1
https://github.com/Supercomputing-System-AI-Lab/MegaFold/blob/main/README.md#step-2-in-code-usage-1
https://github.com/Supercomputing-System-AI-Lab/MegaFold/blob/main/README.md#optimization-4-evopipe-determinism-aware-host-device-pipeline
deterministic input features cachehttps://github.com/Supercomputing-System-AI-Lab/MegaFold/blob/main/megafold/inputs.py#L4555-L4575
MSA features cachehttps://github.com/Supercomputing-System-AI-Lab/MegaFold/blob/main/megafold/inputs.py#L4688-L4753
https://github.com/Supercomputing-System-AI-Lab/MegaFold/blob/main/README.md#citation
https://github.com/Supercomputing-System-AI-Lab/MegaFold/blob/main/README.md#acknowledgement
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