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# GAE-DGL
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Graph Auto-encoder [1] implemented with DGL by Shion Honda.
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Official implementation by the authors is [here](https://github.com/tkipf/gae) (TensorFlow, Python 2.7).
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Official implementation by the authors is [here](https://github.com/tkipf/gae) (TensorFlow, Python 2.7).
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Unlike other implementations, this repository supports inductive tasks using molecular graphs (ZINC-250k), showing the power of graph representation learning with GAE.
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## Installation
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### Prerequisites
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## Potential Application to Chemistry
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Is learned feature useful for predicting molecular properties? Let's check with simple examples. Here I use ESOL (solubility regression) dataset from [2], which can be downloaded [here](http://moleculenet.ai/datasets-1).
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Is learned feature through pre-training really useful for predicting molecular properties? Let's check with simple examples. Here I use ESOL (solubility regression) dataset from [2], which can be downloaded [here](http://moleculenet.ai/datasets-1).
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