ChemistryAtlas Code
MolecularAI/REINVENT4
Generative molecular designGitHubsource codeaiastrazenecacheminformaticschemistrydeep-learningdenovo-designdrug-designdrug-discoverygenerative-ai
AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.
Why it is useful: Generative molecular design repository for chemistry, cheminformatics, molecular ML, simulation, synthesis, or drug discovery workflows.
GitHub signals: 787 stars, 220 forks, primary language: Python.
Citation: GitHub repository: MolecularAI/REINVENT4