Graph-based Molecular Representation Learning

Molecular representation learning (MRL) is a key step to build the connection between machine learning and chemical science.

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Cite this as

Zhichun Guo, Kehan Guo, Bozhao Nan, Yijun Tian, Roshni G. Iyer, Yihong Ma, Olaf Wiest, Xiangliang Zhang, Wei Wang, Chuxu Zhang, Nitesh V. Chawla (2025). Dataset: Graph-based Molecular Representation Learning. https://doi.org/10.57702/ofrtlkeb

DOI retrieved: January 3, 2025

Additional Info

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Created January 3, 2025
Last update January 3, 2025
Defined In https://doi.org/10.48550/arXiv.2207.04869
Author Zhichun Guo
More Authors
Kehan Guo
Bozhao Nan
Yijun Tian
Roshni G. Iyer
Yihong Ma
Olaf Wiest
Xiangliang Zhang
Wei Wang
Chuxu Zhang
Nitesh V. Chawla