Generating Molecular Conformations via Normalizing Flows and Neural ODEs

Anonymous

Keywords: cheminformatics, drug discovery, generative modeling

Abstract: We provide an in-depth overview of methods outlined in the paper "Learning Neural Generative Dynamics for Molecular Conformation Generation," discuss the impact of the work in the context of other conformation generation approaches, and additionally discuss future potential applications to improve the diversity and stability of generated conformations.

ICLR Paper: https://arxiv.org/abs/2102.10240