GTKNet: a transformer-based graph neural network for predicting molecular properties with KAN and multi-head attention
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DOI: 10.1080/08927022.2025.2523073
Abstract: ABSTRACT With the advancement of science and technology, the application of artificial intelligence in the field of materials science has become a research hotspot, particularly in molecular property prediction and material design. This study proposes… read more here.
Keywords: based graph; gtknet; attention; transformer based ... See more keywords