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https://github.com/deepgraphlearning/graphaf


https://github.com/deepgraphlearning/graphaf

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# GraphAF: a Flow-based Autoregressive Model for Molecular Graph Generation

This repo contains a reference implementation for GraphAF as described in the paper:

> GraphAF: a Flow-based Autoregressive Model for Molecular Graph Generation
> [Chence Shi](https://chenceshi.com/)\*, [Minkai Xu](https://minkaixu.com/)\*, Zhaocheng Zhu, Weinan Zhang, Ming Zhang, [Jian Tang](https://jian-tang.com/)
> International Conference on Learning Representations (ICLR), 2020.
> Paper: [https://arxiv.org/abs/2001.09382](https://arxiv.org/abs/2001.09382)

Code is available at [google drive](https://drive.google.com/open?id=1FmYWcT8jDrwZlzPbmMpRhulb9OKTDWJL) now.

**Update: We implement the GraphAF in our [TorchDrug](https://torchdrug.ai/docs/tutorials/generation.html) platform.**