Equivariant score-based generative diffusion framework for 3D molecules

Abstract Background Molecular biology is crucial for drug discovery, protein design, and human health. Due to the vastness of the drug-like chemical space, depending on biomedical experts to manually design molecules is exceedingly expensive. Utilizing generative methods with deep learning technolog...

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Bibliographic Details
Main Authors: Hao Zhang, Yang Liu, Xiaoyan Liu, Cheng Wang, Maozu Guo
Format: Article
Language:English
Published: BMC 2024-05-01
Series:BMC Bioinformatics
Subjects:
Online Access:https://doi.org/10.1186/s12859-024-05810-w
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