chainer / chainer-chemistry

Chainer Chemistry: A Library for Deep Learning in Biology and Chemistry
MIT License
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Label scaling in the QM9 example #245

Closed mihaimorariu closed 6 years ago

mihaimorariu commented 6 years ago

In the predict_qm9.py script, label scaling is not performed as a post-processing step, when evaluating against the test set. eval_result should be modified to reflect this change.