Abstract: Identifying links within biological networks is important in various biomedical applications. Recent studies have revealed that each node in a network may play a unique role in different ...
We aim to build a pre-trained Graph Neural Network (GNN) model on molecules without human annotations or prior knowledge. Although various attempts have been proposed to overcome limitations in ...
RDKit can be installed easily by following the instructions from this source. Linux, Windows, and macOS RDKit platform wheels are available at the rdkit PyPi ...
Abstract: This paper proposes a subgraph-aware classification framework that integrates efficient frequent subgraph mining with graph neural networks (GNNs) to address the limitations of existing GNNs ...
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