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36 changes: 19 additions & 17 deletions examples/qm9/README.md
Original file line number Diff line number Diff line change
@@ -1,44 +1,46 @@
# QM9
# QM9 Regression Example

QM9 dataset regression
This example performs regression on the QM9 dataset.

## Dependency
## Dependencies

This example depends on the following package as well as
Chainer Chemistry and its dependent packages:
To run the example, the following packages also need to be installed:

- [`matplotlib`](https://matplotlib.org/)
- [`seaborn`](https://seaborn.pydata.org/)
- [`scikit-learn`](http://scikit-learn.org/stable/)

## How to run the code

### Train the model with qm9 dataset
### Training a model

With CPU:
To train a model, run the following:

On the CPU:
```angular2html
python train_qm9.py
```

With GPU:
On the GPU:
```angular2html
python train_qm9.py -g 0
```

### Inference with the trained model with qm9 dataset using Regressor

As of v0.3.0, `Regressor` class is introduced which supports `predict`
method for easier inference.
### Inference using a pretrained model

`Regressor` also supports `load_pickle` method, user may load
the instance of pretrained-model using `pickle` file.
As of v0.3.0, the `Regressor` class has been introduced, which provides the
`predict` method for easier inference. `Regressor` also supports the
`load_pickle` method, which allows for loading of a pretrained model, using the
`pickle` library.

The example implemented in `predict_qm9.py`.
The perform inference using a pretrained model, run the following:

With CPU:
On the CPU:
```
python predict_qm9.py [-i /path/to/training/result/directory]
```

With GPU:
On the GPU:
```
python predict_qm9.py -g 0 [-i /path/to/training/result/directory]
```