Access to pre-build model
Danissss opened this issue · comments
Hi,
May I ask where I can access the pre-build model, the smiles.npy
and the arguments.txt
file?
model = darkchem.utils.load_model(‘/path/to/model_folder/’) # arguments.txt must be present in this folder, as well as respective network weights
# load data
x = np.load(‘/path/to/smiles.npy’)
# generate latent space
x_latent = model.encoder.predict(x)
# generate property predictions
y_pred = model.predictor.predict(x_latent)
# predict SMILES outputs
x_pred = model.decoder.predict(x_latent)
Thanks!
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