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.