Reinvent 4: Modern AI–driven generative molecule design

Reinvent 4: Modern AI–driven generative molecule design

Abstract REINVENT 4 is a modern open-source generative AI framework for the design of small molecules. The software utilizes recurrent neural networks and transformer architectures to drive molecule generation. These generators are seamlessly embedded within the general machine learning optimization...

Full description

Bibliographic Details
Main Authors: Hannes H. Loeffler, Jiazhen He, Alessandro Tibo, Jon Paul Janet, Alexey Voronov, Lewis H. Mervin, Ola Engkvist
Format: Article
Language:English
Published: BMC 2024-02-01
Series:Journal of Cheminformatics
Subjects:
Generative AI
Reinforcement learning
Transfer learning
Multi parameter optimization
Recurrent neural networks
Transformers
Online Access:https://doi.org/10.1186/s13321-024-00812-5

Internet

https://doi.org/10.1186/s13321-024-00812-5

Similar Items