Generative BigSMILES: An Extension for Polymer Informatics, Computer Simulations & ML/AI

Generative BigSMILES: An Extension for Polymer Informatics, Computer Simulations & ML/AI
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DOI:
10.1039/d3dd00147d
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发表时间:
2023
期刊:
Digital Discovery
影响因子:
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通讯作者:
Ludwig Schneider;Dylan Walsh;Bradley Olsen;J. D. de Pablo
Ludwig Schneider;Dylan Walsh;Bradley Olsen;J. D. de Pablo
中科院分区:
其他
文献类型:
--
作者:
Ludwig Schneider;Dylan Walsh;Bradley Olsen;J. D. de Pablo

文献摘要

相似文献

BigSMILES符号,聚合物系综表示的一个简洁的工具,在这里增加了引入一个增强版本,称为生成BigSMILES。G-BigSMILES是专为生成工作流,并补充.
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...