Molecular pretraining models towards molecular property prediction
Jianbo Qiao, Wenjia Gao, Junru Jin, Ding Wang, Guo Xu, Balachandran Manavalan, Leyi Wei
Topics & Concepts
Property (philosophy)Computational biologyComputer scienceBiologyPhilosophyEpistemologyComputational Drug Discovery MethodsMachine Learning in Materials ScienceProtein Structure and Dynamics