ChemistryAtlas Code
BioinfoMachineLearning/bio-diffusion
Generative molecular designGitHubsource codecomputational-biologycomputational-chemistrydeep-learninggenerative-modelgraph-neural-networksmachine-learning
A geometry-complete diffusion generative model (GCDM) for 3D molecule generation and optimization. (Nature CommsChem)
Why it is useful: Generative molecular design repository for chemistry, cheminformatics, molecular ML, simulation, synthesis, or drug discovery workflows.
GitHub signals: 241 stars, 36 forks, primary language: Python.
Citation: GitHub repository: BioinfoMachineLearning/bio-diffusion