How to generate a specified number of molecules using a trained generation model?

isayev / ReLeaSE

Deep Reinforcement Learning for de-novo Drug Design

MIT License

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How to generate a specified number of molecules using a trained generation model? #29

Open zhouhao-learning opened 5 years ago

zhouhao-learning commented 5 years ago

I use my own SMILES data to load the pre-training model you provided and train a generation model so that I can generate new molecules with similar structure to my training data. How can I use the trained generation model to generate a specified number of new molecules?