AUGMENTING MOLECULAR DEEP GENERATIVE MODELS WITH TOPOLOGICAL DATA ANALYSIS REPRESENTATIONS
收藏DataCite Commons2025-01-03 更新2025-04-16 收录
下载链接：
https://service.tib.eu/ldmservice/dataset/ec352906-e94a-48b5-8445-fce57eb44ed9
下载链接
链接失效反馈官方服务：
资源简介：
Deep generative models have emerged as a powerful tool for learning useful molecular representations and designing novel molecules with desired properties, with applications in drug discovery and material design. Here we propose augmentation of deep generative models with topological data analysis (TDA) representations, known as persistence images, for robust encoding of 3D molecular geometry.
提供机构：
TIB
创建时间：
2025-01-03
