ChemistryAtlas Code
THUNLP-MT/PS-VAE
Generative molecular designGitHubsource codedrug-discoveryfragment-based-drug-discoverymolecule-generation
This repo contains the codes for our paper: Molecule Generation by Principal Subgraph Mining and Assembling.
Why it is useful: Generative molecular design repository for chemistry, cheminformatics, molecular ML, simulation, synthesis, or drug discovery workflows.
GitHub signals: 44 stars, 8 forks, primary language: Python.
Homepage: https://arxiv.org/abs/2106.15098
Citation: GitHub repository: THUNLP-MT/PS-VAE