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@MolSSI-BSE MolSSI Basis Set Exchange

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    4 repositories

    • basis_set_exchange

      Public
      A repository for quantum chemistry basis sets
      Python
      •
      BSD 3-Clause "New" or "Revised" License
      •47•159•77•8•Updated Dec 13, 2024Dec 13, 2024

    • basis_set_exchange-historical

      Public
      Historical basis set data
      GAMS
      •1•3•0•0•Updated Dec 3, 2024Dec 3, 2024

    • basis_set_exchange-apidoc

      Public archive
      Documentation for the REST API of the Basis Set Exchange
      Shell
      •
      BSD 3-Clause "New" or "Revised" License
      •2•1•0•0•Updated Jan 17, 2020Jan 17, 2020

    • basis_set_exchange-xmlconvert

      Public archive
      Conversion from BSE XML to new JSON format
      Python
      •2•0•0•0•Updated May 10, 2018May 10, 2018