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AIQM

Open Consortium for AI in Quantum Chemistry

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  1. torchani torchani Public

    Accurate Neural Network Potential on PyTorch

    Python 497 135

  2. aimnet aimnet Public

    Atoms In Molecules Neural Network Potential

    Python 105 27

  3. ANI1x_datasets ANI1x_datasets Public

    The ANI-1ccx and ANI-1x data sets, coupled-cluster and density functional theory properties for organic molecules.

    HTML 63 5

  4. ani-model-zoo ani-model-zoo Public

    4 2

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