Analysis of Atom-level pretraining with QM data for Graph Neural Networks Molecular property models

Arjona-Medina, Nugmanov

2024Chemistry Simulation and Materials

Details

Year: 2024

Topic: Chemistry Simulation and Materials

Authors: Arjona-Medina, Nugmanov

File: Arjona-Medina__Nugmanov_2024_Analysis_of_Atom-level_pretraining_with_QM_data_for_Graph_Neural_Networks_Molecular_property_models.pdf