MolParser-7M

Demo | Paper

This repo provides the training data and evaluation data for MolParser, proposed in paper “MolParser: End-to-end Visual Recognition of Molecule Structures in the Wild“ (ICCV2025 accept)

MolParser-7M contains nearly 8 million paired image-SMILES data. It should be noted that the caption of image is our extended-SMILES format, which suggested in our paper.

• MolParser-7M (Pretrain): More than 7.7M synthetic training data in pretrain_synthetic_7M subset;

• MolParser-SFT: Human-labeled real molecule figures for fine-tuning stage in sft_real subset. (We are organizing an OCSR competition based on MolParser-7M, so we have reserved part of the MolParser-SFT data for the competition. Stay tuned!)

• MolParser-Val: A small validation set carefully selected in-the-wild in valid subset. It can be used to quickly valid the model ability during the training process;

• WildMol Benchmark: 20k molecule structure images cropped from real patents or paper, test_simple_10k（WildMol-10k）subset and test_markush_10k（WildMol-10k-M）subset;

📜 License

This dataset is provided for non-commercial use only.

For commercial use, please contact: [email protected] or add a discussion in HuggingFace.

📖 Citation

If you use this datasets in your work, please cite:

@inproceedings{fang2025molparser,
  title={Molparser: End-to-end visual recognition of molecule structures in the wild},
  author={Fang, Xi and Wang, Jiankun and Cai, Xiaochen and Chen, Shangqian and Yang, Shuwen and Tao, Haoyi and Wang, Nan and Yao, Lin and Zhang, Linfeng and Ke, Guolin},
  booktitle={Proceedings of the IEEE/CVF International Conference on Computer Vision},
  pages={24528--24538},
  year={2025}
}