maxhodak / keras-molecules

Autoencoder network for learning a continuous representation of molecular structures.
MIT License
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Fix download scripts #52

Closed hsiaoyi0504 closed 7 years ago

hsiaoyi0504 commented 7 years ago

I updated the download_datasets.py. In original implementation, even if I choose dataset of chembl22 or zinc12, I can't direct use preprocess.py (the fields in .h5 is different as expected). Also, the url of chembl22 should be updated from latest to stable release.

pechersky commented 7 years ago

LGTM