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  2. Deep Reinforcement Learning for 3D Molecular Design

    https://www.mlmi.eng.cam.ac.uk/files/2021-2022_dissertations/deep_reinforcement_learning_with_3d_molecular_design.pdf
    25 Nov 2022: First, the policy model constructs a representation of the current canvas thatresembles an enhanced graph. ... 9 Background. approach of MolGym differs from purely graph based molecular representations e.g.,Z.

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