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. Author manuscript; available in PMC: 2024 Apr 4.
Published in final edited form as: Nat Rev Bioeng. 2023 Oct 27;2(2):136–154. doi: 10.1038/s44222-023-00114-9

Table 2 |.

Open-source diffusion model tools for bioinformatics

Applications Tool name Denoising condition Diffusion framework Network architecture Github
Protein design and generation ProteinSGM91 Conditioned and unconditioned Score SDE Convolutional neural network CODE
FoldingDiff101 Unconditioned DDPM Transformer CODE
Genie103 Unconditioned DDPM Variant SE(3)-transformer CODE
SMCDiff104 Conditioned Score SDE EGNN CODE
FrameDiff106 Unconditioned Score SDE SE(3)-transformer CODE
RFdiffusion105 Conditioned and unconditioned DDPM SE(3)-transformer CODE
Chroma107 Conditioned Score SDE GNN CODE
Small-molecule generation and drug design EDM54 Conditioned DDPM EGNN CODE
SDEGen111 Conditioned Score SDE GNN CODE
DiffLinker113 Conditioned DDPM EGNN CODE
Protein-ligand interaction modelling DiffBP114 Conditioned DDPM EGNN CODE
DiffSBDD115 Conditioned DDPM EGNN CODE
DiffDock116 Conditioned Score SDE Variant EGNN CODE
Cryo-EM data analysis CryoDRGN98 Conditioned Score SDE VAE CODE
Single-cell image and gene-expression data analysis DISPR99 Conditioned DDPM U-Net CODE

Score SDE, score stochastic differential equation; DDPM, denoising diffusion probabilistic model; EGNN, equivariant GNN; GNN, graph neural network; cryo-EM, cryogenic electron microscopy; VAE, variational autoencoder; U-Net, U-shaped neural network.