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  1. abinitioTools abinitioTools Public

    A Python package for convenient tools of quantum chemical calculations

    Python 1

  2. admcscf admcscf Public

    A Python package for the multi-configurational self-consistent field calculations with Automatic differentiation

    Python 1

  3. gnn_test gnn_test Public

    An experimental code for predicting molecular properties with a graph neural network

    Python 1

  4. pylattice pylattice Public

    A Python package for a toolkit of first-principle calculations and lattice-model calculations

    Gnuplot 1

  5. qsci_exp qsci_exp Public

    An unofficial Python package for quantum computing related to quantum chemical calculations

    Python 1

  6. spintools spintools Public

    A Python package for application of electric-magnetic field to materials with quantum chemical calculations

    Python 1