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Graph Denoising Diffusion for Inverse Protein Folding

NeurIPS 2023 · Image generation › Autoregressive and latent generation · approach: Diffusion for protein and antibody design · 21 citations (OpenAlex)

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Measured effects reported in the paper

What was changedWhereMeasuredEffect
use GraDe-IF vs PiFoldCATH short · CATH shortrecovery rate %: 39.84 -> 45.27Helped
use GraDe-IF vs PiFoldCATH single-chain · CATH single-chainrecovery rate %: 38.53 -> 42.77Helped
use GraDe-IF vs PiFoldTS50 · TS50recovery %: 58.72 -> 56.32Hurt
use BLOSUM transition matrix instead of uniform (ablation)GraDe-IF · CATHrecovery rate: +2%Helped
add equivariance to denoising network (ablation)GraDe-IF · CATHrecovery rateHelped
add secondary structure conditioning (ablation)GraDe-IF · CATHrecovery rateHelped
skip 100 sampling steps with discrete DDIM instead of 1 (ablation)GraDe-IF · CATH allrecovery rate %: 52.21 -> 47.66Hurt
use GraDe-IF at low recovery level vs ProteinMPNNGraDe-IF · Diversitydiversity: 0.51 -> 0.61Helped

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