Update README of tox21
@@ -22,3 +22,35 @@ With GPU:
```angular2html
python train_tox21.py -g 0
```
+
+This script trains the model with the tox21 dataset
+and outputs trained parameters and other information to a specified directory.
+We specify an ID of GPU in use by `-g` or `--gpu` option.
+Negative value indicate running the code with CPU.
+The output directory can be specified by `-o` option.
+The default value is `result`.
+
+The full options available including `-g` and `-o` are found
+by running the following command `python train_tox21.py --help`.
+
+### Inference with a trained model
+
+With CPU:
+```
+python inference_tox21.py [-i /path/to/training/result/directory]
+```
+
+With GPU:t
+```
+python inference_tox21.py -g 0 [-i /path/to/training/result/directory]
+```
+
+This script loads trained parameters of a model and
+makes a prediction for the test dataset of Tox21 with the model.
+It loads parameters and other configurations from directory specified by `-i` option,
+whose default value is same as that of `-o` option of `train_tox21.py`.
+The prediction results are saved in the current directory as a `npy` file.
+As with training, we can specify GPU/CPU to use by `-g` option.
+
+The full options available including `-g` and `-i` are found
+by running the following command `python inference_tox21.py --help`.
