Hi, I am trying to have a test run in the zinc_properties and trained about 100 molecules from the csv. After that I have several *.h5 files. When I went to the intro_to_chemvae.ipynb, I have the following errors.
NameError Traceback (most recent call last)
in
1 smiles_1 = mu.canon_smiles('CSCC(=O)NNC(=O)c1c(C)oc(C)c1C')
2
----> 3 X_1 = vae.smiles_to_hot(smiles_1,canonize_smiles=True)
4 z_1 = vae.encode(X_1)
5 X_r= vae.decode(z_1)
NameError: name 'vae' is not defined.
Everything else seems fine, can anyone help me find out where goes wrong?
Hi, I am trying to have a test run in the zinc_properties and trained about 100 molecules from the csv. After that I have several *.h5 files. When I went to the intro_to_chemvae.ipynb, I have the following errors.
NameError Traceback (most recent call last)