ChemistryAtlas Code
microsoft/molecule-generation
Generative molecular designGitHubsource codedeep-learninggenerative-modelgraph-neural-networksmolecule-generation
Implementation of MoLeR: a generative model of molecular graphs which supports scaffold-constrained generation
Why it is useful: Generative molecular design repository for chemistry, cheminformatics, molecular ML, simulation, synthesis, or drug discovery workflows.
GitHub signals: 325 stars, 48 forks, primary language: Python.
Citation: GitHub repository: microsoft/molecule-generation