ChemistryAtlas Code
MinkaiXu/GeoDiff
Generative molecular designGitHubsource codecomputational-biologycomputational-chemistryconformationdiffusion-modelsgenerative-modelsgraph-neural-networksiclriclr2022molecule
Implementation of GeoDiff: a Geometric Diffusion Model for Molecular Conformation Generation (ICLR 2022).
Why it is useful: Generative molecular design repository for chemistry, cheminformatics, molecular ML, simulation, synthesis, or drug discovery workflows.
GitHub signals: 413 stars, 87 forks, primary language: Python.
Citation: GitHub repository: MinkaiXu/GeoDiff