Chemformer
Chemformer copied to clipboard
MolecularAI
Results of pre-trained model
Hello, I am learning to use your repository. I used the model in models/pre-trained/combined-large-step=1000000.ckpt in the model download link you provided to directly predict without fine-tuning. Could you please tell me what does the sample_smiles obtained in this case mean? Should it theoretically be equivalent to the input smile sequence?
The script I use:
The data I use:
The result I get:
