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@ProteinDF ProteinDF

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    8 repositories

    • ProteinDF

      Public
      Canonical (Kohn-Sham) molecular orbital calculation software for large molecules such as protein
      c-plus-plusbioinformaticschemistryopenmpmpidensity-functional-theoryproteinhartree-fock
      C++
      •
      GNU General Public License v3.0
      •5•12•10•0•Updated Mar 26, 2025Mar 26, 2025

    • QCLObot

      Public
      Orchestration software for canonical Kohn-Sham molecular orbital calculation of proteins
      python
      Python
      •
      GNU General Public License v3.0
      •2•4•4•0•Updated Jan 26, 2025Jan 26, 2025

    • ProteinDF_pytools

      Public
      pre/post python scripts for ProteinDF
      python
      Python
      •
      GNU General Public License v3.0
      •1•2•1•0•Updated Mar 31, 2024Mar 31, 2024

    • ProteinDF_bridge

      Public
      a collection of containers and algorithms that bridge ProteinDF-related software
      python
      Python
      •
      GNU General Public License v3.0
      •0•2•0•0•Updated Mar 31, 2024Mar 31, 2024

    • ProteinDF.github.io

      Public
      Ruby
      •0•0•0•0•Updated Dec 8, 2022Dec 8, 2022

    • QCLObot_test

      Public
      Shell
      •
      GNU General Public License v3.0
      •0•0•0•0•Updated Aug 15, 2022Aug 15, 2022

    • ProteinDF_test

      Public
      Makefile
      •
      GNU General Public License v3.0
      •0•0•0•0•Updated Aug 14, 2022Aug 14, 2022

    • ProteinDF_userman

      Public archive
      Python
      •
      GNU General Public License v3.0
      •0•0•0•0•Updated Oct 17, 2017Oct 17, 2017