Building a PC for BioML/ProteinDesign
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11 months ago

Hey everyone,

I’m a recent bioinformatics graduate working with a limited budget, exploring the possibility of building a PC to run ML models developed by research groups like the Baker Group and DeepMind. I’m looking for recommendations on PC components or cloud-based alternatives that provide a similar experience.

What I’m Looking For:

The ideal setup would allow me to run models interactively, especially through a debugger, to get a deeper understanding of their inner workings. While I’ve been able to experiment with smaller models like ProteinMPNN on my current setup, I want the flexibility to tinker with larger models as well.

I’m already aware of ColabFold and ColabDesign—both are great tools, but they don’t fully meet my needs. I find the Google Colab interface is much less useable than a dedicated IDE like PyCharm. This can make working with these models a bit challenging. Although I’ve experimented with Google Workstation and tried connecting PyCharm via SSH, I still found the experience underwhelming.

If anyone knows of cloud solutions and accompanying software that provide a near-native local development experience, please share!

Considering Building a PC:

If building a PC is the best way forward, I’d appreciate suggestions on hardware specs. My budget is flexible but ideally under $3,000 USD. Here’s my current rough parts list or criteria:

  • GPU: High-performance with substantial memory (leaning toward an RTX 4090).
  • CPU: A recent AMD processor with plenty of threads for parallel tasks, like MSA construction.
  • RAM: At least 64GB.
  • Storage: Planning on 4TB SSD and 4TB HDD to cover all my storage needs.
  • Everything else: Still to be determined.

Thanks in advance for your help and advice!

protein-design machine-learning • 366 views
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