Published 2025 | Version v2
Model Open

DrugDiff - small molecule diffusion model with flexible guidance towards molecular properties

Authors/Creators

  • 1. ROR icon German Center for Neurodegenerative Diseases
  • 2. Helmholtz AI
  • 3. Helmholtz Munich

Description

DrugDIFF is a latent diffusion model that uses predictor guidance to generate small molecules with desired molecular properties. 

Files

DrugDiff.zip

Files (2.8 GB)

Name Size
md5:08c99ce1b086de04dcf719430210b9ef
2.8 GB Preview Download

Additional details

Funding

Helmholtz Association of German Research Centres
Pro-Gene-Gen ZT-I-PF5-23

Dates

Accepted
2025

Software

Repository URL
https://github.com/MarieOestreich/DrugDiff