It seem the predictor is just a tranditional Classify model not a network model. Why did you say using LSTM in the predictor model in your paper?

isayev / ReLeaSE

Deep Reinforcement Learning for de-novo Drug Design

MIT License

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It seem the predictor is just a tranditional Classify model not a network model. Why did you say using LSTM in the predictor model in your paper? #19

Open lorybaby opened 5 years ago

lorybaby commented 5 years ago

Hi, Dear authors, It seem the predictor is just a tranditional model not a network model. Why did you say using LSTM in the predictor model in your paper? (Deep reinforcement learning for de novo drug design) I think only the generator was based on the network model, right? I am so confused when I comparing your code with your paper, please give some help to your readers. If you have update the codes, please let me know.

Mariewelt commented 5 years ago

Hi @lorybaby

This is an ongoing project, so I'm constantly working on it and adding new features. You can find the demo for training the LSTM model in RecurrentQSAR-example-jak2.ipynb and RecurrentQSAR-example-logP.ipynb ipython-notebooks. I also added a couple of new features for the reinforcement learning part (a follow-up paper will be coming soon).