Data for "Introducing physics-informed generative models for targeting structural novelty in the exploration of chemical space"
收藏DataCite Commons2025-12-09 更新2026-05-07 收录
下载链接：
https://datacat.liverpool.ac.uk/id/eprint/3057
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资源简介：
Generative crystal structures produced by the Physics-Informed Generative Model for Extrapolating Beyond Known Motifs (PIGEN) and its variants. The structures are generated under different conditioning schemes, including compactness, diversity, hull energy, and structural complexity, as well as variants of these conditioning targets.
提供机构：
University of Liverpool
创建时间：
2025-12-09
