gcorso/torsional-diffusion

Implementation of Torsional Diffusion for Molecular Conformer Generation (NeurIPS 2022)

Why it is useful: Generative molecular design repository for chemistry, cheminformatics, molecular ML, simulation, synthesis, or drug discovery workflows.

GitHub signals: 284 stars, 47 forks, primary language: Python.
Homepage: https://arxiv.org/abs/2206.01729

Citation: GitHub repository: gcorso/torsional-diffusion