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Hi! I have one question. I used dataset of QM9(10000 datasets of SMILES and properties).
I tried to do intro_to_chemvae.py , but errors happened as below.
File "intro_to_chemvae.py", line 19, in
vae = VAEUtils(directory='../models/QM9')
File "/home/anaconda3/envs/chemvae/lib/python3.6/site-packages/chemvae-1.0.0-py3.6.egg/chemvae/vae_utils.py", line 52, in init
File "/home/anaconda3/envs/chemvae/lib/python3.6/site-packages/chemvae-1.0.0-py3.6.egg/chemvae/vae_utils.py", line 61, in estimate_estandarization
File "/home/anaconda3/envs/chemvae/lib/python3.6/site-packages/chemvae-1.0.0-py3.6.egg/chemvae/vae_utils.py", line 289, in random_molecules
File "/home/anaconda3/envs/chemvae/lib/python3.6/random.py", line 320, in sample
raise ValueError("Sample larger than population or is negative")
ValueError: Sample larger than population or is negative
This error can be considered that QM9 datasets is fewer than zinc datasets..
I would like you to tell me if you know..
Best wishes
The text was updated successfully, but these errors were encountered:
Hi! I have one question. I used dataset of QM9(10000 datasets of SMILES and properties).
I tried to do intro_to_chemvae.py , but errors happened as below.
File "intro_to_chemvae.py", line 19, in
vae = VAEUtils(directory='../models/QM9')
File "/home/anaconda3/envs/chemvae/lib/python3.6/site-packages/chemvae-1.0.0-py3.6.egg/chemvae/vae_utils.py", line 52, in init
File "/home/anaconda3/envs/chemvae/lib/python3.6/site-packages/chemvae-1.0.0-py3.6.egg/chemvae/vae_utils.py", line 61, in estimate_estandarization
File "/home/anaconda3/envs/chemvae/lib/python3.6/site-packages/chemvae-1.0.0-py3.6.egg/chemvae/vae_utils.py", line 289, in random_molecules
File "/home/anaconda3/envs/chemvae/lib/python3.6/random.py", line 320, in sample
raise ValueError("Sample larger than population or is negative")
ValueError: Sample larger than population or is negative
This error can be considered that QM9 datasets is fewer than zinc datasets..
I would like you to tell me if you know..
Best wishes
The text was updated successfully, but these errors were encountered: