ChemistryAtlas Code
NVIDIA-BioNeMo/genmol
Generative molecular designGitHubsource code
GenMol is a generative AI model for creating novel molecules. It utilizes masked discrete diffusion and fragment-based generation to create valid molecules, which are encoded in the SAFE molecular representation.
Why it is useful: Generative molecular design repository for chemistry, cheminformatics, molecular ML, simulation, synthesis, or drug discovery workflows.
GitHub signals: 184 stars, 27 forks, primary language: Python.
Citation: GitHub repository: NVIDIA-BioNeMo/genmol