Published February 27, 2025
| Version v1
Dataset
Open
Pre-training molecular database and models of OCNet
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Description
This record contains the pre-training molecular database and pretrained model files for OCNet, a domain-knowledge-enhanced representation learning framework for organic conjugated molecules and devices. The dataset and models are associated with the article “Virtual characterization via knowledge-enhanced representation learning: from organic conjugated molecules to devices” (npj Computational Materials, 2025; DOI: 10.1038/s41524-025-01788-y).
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Related works
- Is supplement to
- Journal article: 10.1038/s41524-025-01788-y (DOI)
References
- Zhao, G.; Ou, Q.; Zhao, Z.; Chen, S.; Lin, H.; Ji, X.; Wang, Z.; Wang, H.; Cai, H.; Wu, L.; Lu, S.; Yang, F.; Wen, Y.; Zhang, Y.; Ma, H.; Gao, Z.; Cheng, Z.; E, W. Virtual characterization via knowledge-enhanced representation learning: from organic conjugated molecules to devices. npj Computational Materials 2025, 11, 308. https://doi.org/10.1038/s41524-025-01788-y