Rethinking Tokenizer and Decoder in Masked Graph Modeling for Molecules

NeurIPS 2023 poster [paper]

Authors: Zhiyuan Liu, Yaorui Shi, An Zhang, Enzhi Zhang, Kenji Kawaguchi, Xiang Wang, Tat-Seng Chua

This repository contains the official code implementation for the paper Rethinking Tokenizer and Decoder in Masked Graph Modeling for Molecules.

Overview of the SimSGT's framework

Citation

If you use our codes or checkpoints, please cite our paper:

@inproceedings{liu2023rethinking,
    title={Rethinking Tokenizer and Decoder in Masked Graph Modeling for Molecules},
    author={Liu, Zhiyuan and Shi, Yaorui and Zhang, An and Zhang, Enzhi and Kawaguchi, Kenji and Wang, Xiang and Chua, Tat-Seng},
    booktitle={NeurIPS},
    year={2023},
    url={https://openreview.net/forum?id=fWLf8DV0fI}
}