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    5 repositories

    • QUBEKit

      Public
      Quantum Mechanical Bespoke Force Field Derivation Toolkit
      bioinformaticscomputational-chemistryquantum-chemistry
      Python
      •
      MIT License
      •31•95•26•6•Updated Jul 5, 2024Jul 5, 2024

    • QUBEBench

      Public
      GPU code analysing QUBEKit-generated molecules
      Python
      •
      MIT License
      •0•1•0•0•Updated Sep 22, 2021Sep 22, 2021

    • QUBEKit-GUI

      Public
      A draft of a GUI for the QUBEKit software.
      Python
      •
      MIT License
      •0•0•0•0•Updated Mar 26, 2021Mar 26, 2021

    • staged-recipes

      Public
      A place to submit conda recipes before they become fully fledged conda-forge feedstocks
      Python
      •
      BSD 3-Clause "New" or "Revised" License
      •5.1k•0•0•0•Updated Mar 3, 2020Mar 3, 2020

    • QUBEKit_examples

      Public
      Jupyter Notebook
      •2•2•0•0•Updated Jul 23, 2019Jul 23, 2019