ChemistryAtlas Code
wengong-jin/hgraph2graph
Generative molecular designGitHubsource code
Hierarchical Generation of Molecular Graphs using Structural Motifs
Why it is useful: Generative molecular design repository for chemistry, cheminformatics, molecular ML, simulation, synthesis, or drug discovery workflows.
GitHub signals: 438 stars, 126 forks, primary language: Python.
Citation: GitHub repository: wengong-jin/hgraph2graph