Training from scratch a protein structure diffusion model on CATH dataset

• The goal of this repo was to get familiar with protein & diffusion model training.

• Unfortunately, my good friends at an AI biology lab have asked me to make the source code private, because candidates were copying this code for a takehome and this was signficantly affecting their hiring pipeline.

• If you're interested in this code or want to discuss diffusion, please shoot me an email at (my first name)_(my last_name)@hotmail.ch

• To compensate, here are some notes I wrote on diffusion if you want to get familiar with it:

  • Understanding the math and the notations
  • Architecture specifics
  • The diffusion framework, why and how
  • Training diffusion model

• Also, here are some "pretty" generations from my trained model.

Results