TORO Indexer: a PyTorch-based indexing algorithm for kilohertz serial crystallography.

ABSTRACT: Serial crystallography (SX) involves combining observations from a very large number of diffraction patterns coming from crystals in random orientations. To compile a complete data set, these patterns must be indexed (i.e. their orientation determined), integrated and merged. Introduced here is TORO (Torch-powered robust optimization) Indexer, a robust and adaptable indexing algorithm developed using the PyTorch framework. TORO is capable of operating on graphics processing units (GPUs), central processing units (CPUs) and other hardware accelerators supported by PyTorch, ensuring compatibility with a wide variety of computational setups. In tests, TORO outpaces existing solutions, indexing thousands of frames per second when running

SUBMITTER: Gasparotto P 

PROVIDER: S-EPMC11299607 | biostudies-literature | 2024 Aug

REPOSITORIES: biostudies-literature