AlphaFast: High-throughput AlphaFold 3 via GPU-accelerated MSA construction

AlphaFast:通过 GPU 加速的 MSA 构建实现高吞吐量的 AlphaFold 3

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Abstract

AlphaFold 3 (AF3) enables accurate biomolecular modeling but is limited by slow, CPU-bound multiple sequence alignment (MSA) generation. We introduce AlphaFast, a drop-in framework that integrates GPU-accelerated MMseqs2 sequence search to remove this bottleneck. AlphaFast achieves a 68.5× speedup in MSA construction and a 22.8× reduction in end-to-end runtime on a single GPU, and delivers predictions in 8 seconds per input on four GPUs while maintaining indistinguishable structural accuracy. A serverless deployment enables structure prediction for as little as $0.035 per input. Code is available at https://github.com/RomeroLab/alphafast.

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