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  1. compchemtools compchemtools Public

    Utilities for manipulation/translation of input/output formats of quantum-mechanics based electronic structure codes

    Python 1

  2. molgraph molgraph Public

    Python module for parsing and manipulation of molecular graphs as defined by QTAIM

    1

  3. QuantVec QuantVec Public

    QuantVec - The successor to AIMPAC2-Suite (https://github.com/srk/AIMPAC2-Suite).

    Python 2 1

  4. BEACONRESEARCH/BeaconUtils BEACONRESEARCH/BeaconUtils Public

    Computational Chemistry utilities (converters, data extractors etc.) created in the BEACON research group

  5. BEACONRESEARCH/molgraph BEACONRESEARCH/molgraph Public

    Python modules for molecular graphs extracted from software implementing QTAIM