Dataset used to train Chemnet

bioinf-jku / FCD

Fréchet ChemNet Distance: A quality measure for generative models for molecules

GNU Lesser General Public License v3.0

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Dataset used to train Chemnet #10

Closed jk3472 closed 3 years ago

jk3472 commented 3 years ago

Hello! Can I get the dataset used to train Chemnet? (In your paper, it says the model was trained to predict bioactivities of about 6 000 assays available in three major drug discovery databases (ChEMBL, ZINC, PubChem)) Thank you in advance!

gklambauer commented 3 years ago

Thanks for your interest in FCD! The dataset is not released.