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Pinned

  1. qctools qctools Public

    Python tools for quantum chemists

    Python 1

  2. pysurf pysurf Public

    A Framework for Database Accelerated Quantum Chemistry

    Python 10 3

  3. colt colt Public

    Simple, extensible tool to create commandline interfaces and filebased user inputs

    Python 3 1

  4. selimsami/qforce selimsami/qforce Public

    Python 57 13

  5. INAQS/inaqs INAQS/inaqs Public

    Interface for Non-Adiabatic Quantum mechanics/molecular mechanics in Solvent

    C 8