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    18 repositories

    • cando

      Public
      Cando chemistry language
      C++
      •12•166•7•1•Updated Nov 20, 2024Nov 20, 2024

    • molstar-clj

      Public
      Mol* binding for Common Lisp Jupyter
      CSS
      •
      MIT License
      •0•0•0•0•Updated Oct 27, 2024Oct 27, 2024

    • plan

      Public
      Metal binding molecules
      Common Lisp
      •0•2•0•0•Updated Oct 26, 2024Oct 26, 2024

    • Enzyme-Tutorial

      Public
      Fork of Enzyme-Tutorial
      C++
      •5•1•0•0•Updated Jul 10, 2023Jul 10, 2023

    • topology

      Public
      Build molecules from fragments
      Common Lisp
      •0•3•0•0•Updated Mar 10, 2023Mar 10, 2023

    • cando-apptainer

      Public
      Apptainer definition files for CANDO
      GNU General Public License v3.0
      •0•0•0•0•Updated Dec 23, 2022Dec 23, 2022

    • cando-demos

      Public
      Jupyter Notebook
      •2•4•0•0•Updated Dec 21, 2022Dec 21, 2022

    • nglview-cl

      Public archive
      nglview for Common Lisp
      Common Lisp
      •0•3•0•0•Updated Nov 3, 2020Nov 3, 2020

    • nauty

      Public
      Nauty
      C
      •
      Other
      •0•0•0•0•Updated Oct 9, 2020Oct 9, 2020

    • membrane-packer

      Public
      Membrane packer
      Jupyter Notebook
      •0•0•0•0•Updated Sep 14, 2020Sep 14, 2020

    • fep-benchmark

      Public
      Benchmark set for relative free energy calculations.
      MIT License
      •32•0•0•0•Updated Aug 25, 2020Aug 25, 2020

    • pas

      Public
      Positional analogue scanning for Cando
      Common Lisp
      •0•0•0•0•Updated Jul 6, 2020Jul 6, 2020

    • psi4

      Public
      Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
      C++
      •
      GNU Lesser General Public License v3.0
      •448•0•0•0•Updated Jun 26, 2020Jun 26, 2020

    • mps

      Public
      The Memory Pool System
      C
      •
      Other
      •77•0•0•0•Updated Jun 11, 2020Jun 11, 2020

    • clomap

      Public
      Lomap for cando
      Common Lisp
      •0•2•0•0•Updated Jun 8, 2020Jun 8, 2020

    • esrap

      Public
      Local mods for esrap
      Common Lisp
      •0•0•0•0•Updated Jun 6, 2020Jun 6, 2020

    • cando-fep

      Public
      A F.E.P. module for Cando
      Common Lisp
      •
      GNU General Public License v2.0
      •1•3•0•0•Updated Jun 3, 2020Jun 3, 2020

    • cando-clj

      Public
      Jupyter Notebook
      •0•1•0•0•Updated May 29, 2020May 29, 2020