Pinned Loading

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 1 1

2. MolDQN-pytorch MolDQN-pytorch Public

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

   Python 80 27

3. chainer chainer Public

   Forked from chainer/chainer

   A flexible framework of neural networks for deep learning

   Python 1

4. deepchem deepchem Public

   Forked from deepchem/deepchem

   Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology

   Python