ChemistryAtlas Code
MorganCThomas/MolScore
Generative molecular designGitHubsource codebenchmarkcheminformde-novo-drug-designdrug-designgenerative-aimolecule-generationmolecule-scoring
An automated scoring function to facilitate and standardize the evaluation of goal-directed generative models for de novo molecular design
Why it is useful: Generative molecular design repository for chemistry, cheminformatics, molecular ML, simulation, synthesis, or drug discovery workflows.
GitHub signals: 241 stars, 35 forks, primary language: Python.
Citation: GitHub repository: MorganCThomas/MolScore