GOAT: Accelerating 3D Molecule Generation via Jointly Geometric Optimal Transport

This repository contains the official implementation of the paper "Accelerating 3D Molecule Generation via Jointly Geometric Optimal Transport". The paper introduces GOAT, a novel framework for fast and effective 3D molecule generation based on the flow-matching optimal transport objective.

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🛠 Installation

We are working on preparing the installation guidelines.

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📄 Citation

If you find this work useful, please cite our paper:

@inproceedings{goat2025,
  title={Accelerating 3D Molecule Generation via Jointly Geometric Optimal Transport},
  author={Haokai Hong, Wanyu Lin, Kay Chen Tan},
  booktitle={The Thirteenth International Conference on Learning Representations}
  year={2025},
}

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📧 Contact

For questions or feedback, please contact:

• Haokai Hong: haokai.hong@connect.polyu.hk

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📜 License

This project is licensed under the MIT License. See the LICENSE file for details.

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Thank you for using GOAT! We hope this framework accelerates your research in 3D molecule generation. 🚀