ChemistryAtlas Code
zaixizhang/FLAG
Generative molecular designGitHubsource codedrug-discoverygenerative-aigeometric-deep-learningprotein-ligand-interactions
Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"
Why it is useful: Generative molecular design repository for chemistry, cheminformatics, molecular ML, simulation, synthesis, or drug discovery workflows.
GitHub signals: 73 stars, 9 forks, primary language: Python.
Citation: GitHub repository: zaixizhang/FLAG