MolDepictor

This is the repository for the synthetic data generation pipeline of MolGrapher: Graph-based Visual Recognition of Chemical Structures.

Citation

If you find this repository useful, please consider citing:

@InProceedings{Morin_2023_ICCV,
    author = {Morin, Lucas and Danelljan, Martin and Agea, Maria Isabel and Nassar, Ahmed and Weber, Valery and Meijer, Ingmar and Staar, Peter and Yu, Fisher},
    title = {MolGrapher: Graph-based Visual Recognition of Chemical Structures},
    booktitle = {Proceedings of the IEEE/CVF International Conference on Computer Vision (ICCV)},
    month = {October},
    year = {2023},
    pages = {19552-19561}
}

Installation

Please refer to installation instructions of MolGrapher.

Example of molecule augmentations

Example of rendering augmentations