graph with global features, and mydataset
Sorry, this is not an issue report, but I'd like to ask questions to an expert
In molecular generation on the tutorial, there is a split between representation learning and reinforcement learning,
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In the representation learning phase, is it possible to train the graph with global features to improve the final generation capability? Do any of the models currently implemented in torch-drug use global features for training? Please let us know if any models use global information for training.
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Is it possible to train using the zinc2m dataset for representation training and then have the molecules generated using my own dataset during the reinforcement learning phase? (My dataset is small, but I want to use molecular generation to find molecules with small target variables)