Chainer Chemistry examples
These examples are implemented to train the model.
- Tox21: 12 types of toxity classification
- QM9: Chemical property regression
- Own dataset: Own dataset (prepared in csv format) regression
- Molcule Net: Various dataset for both classification and regression
To test code of all examples, run
bash -x test_examples.sh -1 # for CPU bash -x test_examples.sh 0 # for GPU
If you encounter errors, please report them to Github issues along with error logs. We appreciate your help.