/Dock2D

Dock2D: Synthetic datasets for the molecular recognition problem

Primary LanguagePythonMIT LicenseMIT

Dock2D: Synthetic datasets for the molecular recognition problem arXiv

This library is used to build a toy protein dataset and models to solve the tasks for molecular recognition. See Doc(k)umentation here.

Energy Surface Interacting vs Non-interaction examples

Cite Us

This code is part of the work done in our paper. Please cite us if you use this code in your own work:

@article{Dock2D,
    title={{Dock2D: Synthetic datasets for the molecular recognition problem}},
    author={Bhadra-Lobo, Derevyanko, Lamoureux},
    journal={arXiv preprint arxiv:2212.03456},
    year={2022},
}