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1. learningmatter-mit/symmetry-mcts learningmatter-mit/symmetry-mcts Public

   Code accompanying our paper "Symmetry-Constrained Generation of Diverse Low-Bandgap Molecules with Monte Carlo Tree Search"

   Jupyter Notebook

2. MolDQN-pytorch MolDQN-pytorch Public

   A PyTorch Implementation of "Optimization of Molecules via Deep Reinforcement Learning".

   Python 75 28

3. CederGroupHub/TEMExtraction CederGroupHub/TEMExtraction Public

   Jupyter Notebook 6 1

4. chainer chainer Public

   Forked from chainer/chainer

   A flexible framework of neural networks for deep learning

   Python