Generative BigSMILES: An Extension for Polymer Informatics, Computer Simulations & ML/AI
Generative BigSMILES: An Extension for Polymer Informatics, Computer Simulations & ML/AI
复制标题
DOI:
10.1039/d3dd00147d
复制
发表时间:
2023
期刊:
影响因子:
--
通讯作者:
Ludwig Schneider;Dylan Walsh;Bradley Olsen;J. D. de Pablo
中科院分区:
文献类型:
--
作者:
Ludwig Schneider;Dylan Walsh;Bradley Olsen;J. D. de Pablo
The BigSMILES notation, a concise tool for polymer ensemble representation, is augmented here by introducing an enhanced version called generative BigSMILES. G-BigSMILES is designed for generative workflows, and is complemented...