DiffSBDD
DiffLinker
DiffSBDD | DiffLinker | |
---|---|---|
1 | 1 | |
290 | 245 | |
- | - | |
4.9 | 5.3 | |
8 months ago | 17 days ago | |
Python | Python | |
MIT License | MIT License |
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DiffSBDD
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Learn diffusion models with Hugging Face course 🧨
I'm referring to recent works like DiffLinker (https://github.com/igashov/DiffLinker) and DiffSBDD (https://github.com/arneschneuing/diffsbdd) which use diffusion to generate new ligands or fragments of molecules. If there's enough interest, we could find space to include these exciting topics in the course :)
DiffLinker
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Learn diffusion models with Hugging Face course 🧨
I'm referring to recent works like DiffLinker (https://github.com/igashov/DiffLinker) and DiffSBDD (https://github.com/arneschneuing/diffsbdd) which use diffusion to generate new ligands or fragments of molecules. If there's enough interest, we could find space to include these exciting topics in the course :)
What are some alternatives?
OpenChem - OpenChem: Deep Learning toolkit for Computational Chemistry and Drug Design Research
datamol - Molecular Processing Made Easy.
minimal-text-diffusion - A minimal implementation of diffusion models for text generation
EquiBind - EquiBind: geometric deep learning for fast predictions of the 3D structure in which a small molecule binds to a protein
DDPM_inversion - Official pytorch implementation of the paper: "An Edit Friendly DDPM Noise Space: Inversion and Manipulations". CVPR 2024.
ProLIF - Interaction Fingerprints for protein-ligand complexes and more
DenoisingDiffusionProbabilityModel-ddpm- - This may be the simplest implement of DDPM. You can directly run Main.py to train the UNet on CIFAR-10 dataset and see the amazing process of denoising.
Cozy-Auto-Texture - A Blender add-on for generating free textures using the Stable Diffusion AI text to image model.
anomaly-detection-resources - Anomaly detection related books, papers, videos, and toolboxes
e2cnn - E(2)-Equivariant CNNs Library for Pytorch