ChemistryAtlas Code
guanjq/targetdiff
Generative molecular designGitHubsource codeai-for-sciencediffusion-modelsdrug-designequivariant-networksiclr2023
The official implementation of 3D Equivariant Diffusion for Target-Aware Molecule Generation and Affinity Prediction (ICLR 2023)
Why it is useful: Generative molecular design repository for chemistry, cheminformatics, molecular ML, simulation, synthesis, or drug discovery workflows.
GitHub signals: 341 stars, 53 forks, primary language: Python.
Citation: GitHub repository: guanjq/targetdiff