Numpy related error in NFP tutorial

When following NFP’s homo prediction tutorial, recieved the following error

ValueError: Object arrays cannot be loaded when allow_pickle=False

When ran the following code

from chainer.datasets import split_dataset_random
from chainer_chemistry import datasets as D
from chainer_chemistry.dataset.preprocessors import preprocess_method_dict
from chainer_chemistry.datasets import NumpyTupleDataset

cache_dir = 'input/homo/'
dataset = NumpyTupleDataset.load(cache_dir + 'data.npz')

[corochann]

1. model = GraphConvPredictor(NFP(n_unit, n_unit, conv_layers), MLP(n_unit, 1)) is done in set_up_predictor method in the example.

https://github.com/pfnet-research/chainer-chemistry/blob/master/examples/qm9/train_qm9.py#L143-L144

So you can just replace this line to use your custom defined model above.

1. Further, predict method and loss calculation is defined in Regressor class for regression task and Classifier class for classification task. So you need to “wrap” your model using Regressor or Classifier. Since it defines loss calculation and predict method, it can be used in both training and prediction.

Refer: https://github.com/pfnet-research/chainer-chemistry/blob/master/examples/qm9/train_qm9.py#L149-L150

[nshervt]

Thanks! I’ll check this soon and comment for closing the issue.