Predicting organic structures directing agents for zeolites with conditional deep learning generative model
Liukou Xu, Xin Peng, Zhenhao Xi, Zhiqing Yuan, Weimin Zhong
Topics & Concepts
ZeoliteGRASPGenerative modelMoleculeCurse of dimensionalityComputer scienceMolecular modelGenerative grammarMaterials scienceChemistryNanotechnologyArtificial intelligenceProgramming languageOrganic chemistryCatalysisMachine Learning in Materials ScienceComputational Drug Discovery MethodsZeolite Catalysis and Synthesis