ChemistryAtlas Code
wengong-jin/icml18-jtnn
Generative molecular designGitHubsource code
Junction Tree Variational Autoencoder for Molecular Graph Generation (ICML 2018)
Why it is useful: Generative molecular design repository for chemistry, cheminformatics, molecular ML, simulation, synthesis, or drug discovery workflows.
GitHub signals: 560 stars, 196 forks, primary language: Python.
Citation: GitHub repository: wengong-jin/icml18-jtnn