Algebraic graph-assisted bidirectional transformers for molecular property prediction
Despite considerable efforts, quantitative prediction of various molecular properties remains a challenge. Here, the authors propose an algebraic graph-assisted bidirectional transformer, which can incorporate massive unlabeled molecular data into molecular representations via a self-supervised lear...
| Main Authors: | , , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Nature Publishing Group
2021-06-01
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| Series: | Nature Communications |
| Online Access: | https://doi.org/10.1038/s41467-021-23720-w |