aksub99 / MolDQN-pytorch

A PyTorch Implementation of "Optimization of Molecules via Deep Reinforcement Learning".
MIT License
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Add support for multi-objective optimization #7

Open aksub99 opened 4 years ago

aksub99 commented 4 years ago

As of now, the code allows optimization of only a single objective (QED). Addition of multi-objective optimization as described in https://arxiv.org/pdf/1810.08678.pdf will be a useful addition.