chemical_vae icon indicating copy to clipboard operation
chemical_vae copied to clipboard

ValueError: Sample larger than population or is negative

Open muu4649 opened this issue 5 years ago • 0 comments

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

muu4649 avatar Mar 18 '19 00:03 muu4649