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DGL-LifeSci: An Open-Source Toolkit for Deep Learning on Graphs in Life Science
[Image: see text] Graph neural networks (GNNs) constitute a class of deep learning methods for graph data. They have wide applications in chemistry and biology, such as molecular property prediction, reaction prediction, and drug–target interaction prediction. Despite the interest, GNN-based modelin...
| Autores principales: | , , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2021
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8529678/ https://www.ncbi.nlm.nih.gov/pubmed/34693143 http://dx.doi.org/10.1021/acsomega.1c04017 |