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Prepare for release
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kevinid committed Apr 24, 2018
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Expand Up @@ -14,9 +14,10 @@ We have made several updates compared to the previous version:

- The model is now implemented using MXNet.
- A new graph generative model with molecule level recurrency is added to the repo. See the article for further detail.
- The pre-trained models are now available in `ckpt.tar.gz`, along with the predictive model for GSK-3b and JNK3.
- Samples generated by unconditional model are now available in `samples.tar.gz`
- All datasets are now packed in `datasets.tar.gz`
- The pre-trained models are now available in `ckpt.tar.gz` (download here), along with the predictive model for GSK-3b and JNK3.
- Samples generated by unconditional model are now available in `samples.tar.gz` (download here)
- All datasets are now packed in `datasets.tar.gz` (download here)
- Large files (`ckpt.tar.gz`, `samples.tar.gz` and `datasets.tar.gz` ) are now placed in the assets in the release.
- We have provided a tutorial (`examples.ipynb`) to demonstrate the usage of our model

## Requirements:
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### Usage

To train the model, first unpack`datasets.tar.gz` to the current directory, and call:
To train the model, first unpack`datasets.tar.gz` (download here) to the current directory, and call:
```shell
./train.py {molmp|molrnn|scaffold|prop|kinase} path/to/output
```
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