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aksub99 (Akshay Subramanian) · GitHub

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  1. MolDQN-pytorch MolDQN-pytorch Public

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

    Python 84 27

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

    Molecular generation with constraints on symmetry of fragment connectivity

    Jupyter Notebook 4

  3. deepchem/deepchem deepchem/deepchem Public

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

    Python 7k 2.3k

  4. chainer/chainer chainer/chainer Public

    A flexible framework of neural networks for deep learning

    Python 5.9k 1.3k

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