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Dierme / latent-gan

An implementation of the Latent Gan as discribed in the publication [cite]
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chembl.zip missing? #4

Closed lenselinkbart closed 3 years ago

lenselinkbart commented 4 years ago

Hello,

I was trying to run the model on my own smiles file, this doesn't seem to work. Where can I retrieve the chembl.zip file?; Traceback (most recent call last): File "run.py", line 2, in from encode import encode File "/data/Projects/de-novo/latent-gan/encode.py", line 4, in from autoencoder import autoencoder File "/data/Projects/de-novo/latent-gan/autoencoder/autoencoder.py", line 22, in model = load_model() File "/data/Projects/de-novo/latent-gan/autoencoder/autoencoder.py", line 18, in load_model model = ddc.DDC(model_name=path) File "/data/software/conda/envs/latent-gan/lib/python3.6/site-packages/ddc_pub-0.3-py3.6.egg/ddc_pub/ddc_v3.py", line 238, in init self.load(self.model_name) File "/data/software/conda/envs/latent-gan/lib/python3.6/site-packages/ddc_pub-0.3-py3.6.egg/ddc_pub/ddc_v3.py", line 820, in load with zipfile.ZipFile(model_name + ".zip", "r") as zip_ref: File "/data/software/conda/envs/latent-gan/lib/python3.6/zipfile.py", line 1113, in init self.fp = io.open(file, filemode) FileNotFoundError: [Errno 2] No such file or directory: '/data/Projects/de-novo/latent-gan/autoencoder/chembl.zip'

SeemonJ commented 4 years ago

Hi,

There is a bug on the code if no model has been entered, as the new default name of the pretrained chembl model should be chembl_pretrained.zip. The default model version if no model has been assigned refers to an old name of the pretrained chembl model.

This was missed when I renamed the pretrained model files for a nicer structure, I will put the correct chembl model as the default. Thanks for raising this issue.