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tornikeo committed Dec 23, 2024
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<table>
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![alt text](assets/visual_guide.png)

Comparing large sets of mass spectra can be done in parallel, since scores can be calculated independent of the other scores. By leveraging a large number of threads in a GPU, we created a GPU program (kernel) that calculates a 4096 x 4096 similarity matrix in a fraction of a second. By iteratvely calculating similarities for batches of spectra, SimMS can quickly process datasets much larger than the GPU memory. For details, visit the [preprint](https://www.biorxiv.org/content/biorxiv/early/2024/07/25/2024.07.24.605006.full.pdf).
Comparing large sets of mass spectra can be done in parallel, since scores can be calculated independent of the other scores. By leveraging a large number of threads in a GPU, we created a GPU program (kernel) that calculates a 4096 x 4096 similarity matrix in a fraction of a second. By iteratively calculating similarities for batches of spectra, SimMS can quickly process datasets much larger than the GPU memory. For details, visit the [preprint](https://www.biorxiv.org/content/biorxiv/early/2024/07/25/2024.07.24.605006.full.pdf).

# Quickstart

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ref_id, query_id, matches = scores_cu.data['sparse_matches']
```


# Citing SimMS

If you want to cite SimMS in your research, you can use the following BibTeX entry:

```bibtex
@article{Onoprishvili2024,
title = {SimMS: A GPU-Accelerated Cosine Similarity implementation for Tandem Mass Spectrometry},
author = {Onoprishvili, Tornike and Yuan, Jui-Hung and Petrov, Kamen and Ingalalli, Vijay and Khederlarian, Lila and Leuchtenmuller, Niklas and Chandra, Sona and Duarte, Aurelien and Bender, Andreas and Gloaguen, Yoann},
journal = {bioRxiv},
elocation-id = {2024.07.24.605006},
URL = {https://www.biorxiv.org/content/early/2024/07/25/2024.07.24.605006},
year = {2024},
doi = {10.1101/2024.07.24.605006}
}
```

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