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Forum: GPU-enabled bioinformatics

Hi all, it's been a few years since the topic of using GPUs in bioinformatics was last discussed. I'm putting together a list of common bioinformatics (loosely defined) workflows that can benefit from GPUs.

Here is what I've come up with so far (partially inspired by previous biostars conversations):

What are your favorite tools or general bioinformatics workloads that can benefit from GPUs?

gpu

4 answers

I think you got the main applications covered.

It should be mentioned that fine-tuned protein LLMs can be used to predict almost any physical property of proteins (solubility) and many extraneous qualities (localization, optimal temperature for activity). There is also a generative side, where new proteins are created daily with improved properties.

https://github.com/RosettaCommons/RFdiffusion

After training and fine-tuning, DNA/RNA/protein sequences can be classified based on many different criteria. One of the questions that often gets asked here is identifying rRNAs in a mixture of sequences, and in my opinion the best tool for this task is GPU-dependent (it works without it, but very slow):

https://github.com/hzi-bifo/RiboDetector

Any field of biology/bioinformatics that deals with images is almost guaranteed to be heavily GPU-dependent. Same for many applications of machine learning that deal with large amounts of data, even if they are not images.

Thanks, Mensur! I was not familiar with RiboDetector, but it looks really useful.

Using mapping programs to map reads is pretty helpful. I've put together a quick list; needs to be updated.

URL: https://github.com/cement-head/GPU-Bioinformatics/wiki

If anyone has any papers/links to contribute, please make a comment and I'll add to the list.

NVIDIA itself provides a number of GPU optimized tools (grouped under the name 'parabricks') :

https://docs.nvidia.com/clara/parabricks/latest/toolreference.html

Single-cell data analysis: https://github.com/scverse/rapids_singlecell

Single-cell and spatial RNA-seq analysis tool: https://github.com/Starlitnightly/omicverse

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