ChemistryAtlas Code
XuhanLiu/DrugEx
Generative molecular designGitHubsource codecheminformaticsdeep-learninggraph-transformermulti-objective-optimizationreinforcement-learning
Deep learning toolkit for Drug Design with Pareto-based Multi-Objective optimization in Polypharmacology
Why it is useful: Generative molecular design repository for chemistry, cheminformatics, molecular ML, simulation, synthesis, or drug discovery workflows.
GitHub signals: 223 stars, 70 forks, primary language: Python.
Citation: GitHub repository: XuhanLiu/DrugEx