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@valsson-group Valsson Research Group at the University of North Texas

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    10 repositories

    • valsson-group.github.io

      Public
      Valsson Research Group at UNT - Website
      Ruby
      •2•2•0•0•Updated Dec 7, 2024Dec 7, 2024

    • UNT-Chem5660-Fall2024

      Public
      Files related to Computational Chemistry and Biochemistry (Chem 5660/4660) at UNT for the Fall 2024 Semester
      Jupyter Notebook
      •
      Creative Commons Zero v1.0 Universal
      •0•2•0•0•Updated Oct 3, 2024Oct 3, 2024

    • masterclass-22-11

      Public
      Files for PLUMED Masterclass-22-11
      enhanced-samplingmetadynamics
      Jupyter Notebook
      •1•4•0•0•Updated Sep 29, 2024Sep 29, 2024

    • super-cell-constructor

      Public
      Tool for setting up molecular crystal super cell from cif files
      Python
      •
      MIT License
      •1•0•0•0•Updated Sep 28, 2024Sep 28, 2024

    • time-from-biased-simulations-tools

      Public
      Simple tools for obtaining time from biased molecular dynamics simulations
      kineticsenhanced-samplingmetadynamicssimulation
      Python
      •
      MIT License
      •4•4•0•0•Updated Aug 1, 2024Aug 1, 2024

    • UNT-Chem3520

      Public
      Files related to Physical Chemistry II (Chem 3520) at UNT
      Jupyter Notebook
      •
      Creative Commons Zero v1.0 Universal
      •0•0•0•0•Updated Apr 19, 2024Apr 19, 2024

    • UNT-Chem5660-Fall2023

      Public
      Files related to Computational Chemistry and Biochemistry (Chem 5660/4660) at UNT for the Fall 2023 Semester
      Jupyter Notebook
      •
      Creative Commons Zero v1.0 Universal
      •1•0•0•0•Updated Oct 19, 2023Oct 19, 2023

    • ml-seminar

      Public
      UNT Machine learning in Chemistry and Material Science Seminar
      0•1•0•0•Updated Nov 17, 2022Nov 17, 2022

    • bdld

      Public
      Simulation algorithm for Langevin dynamics with additional birth/death steps
      Python
      •
      GNU Lesser General Public License v3.0
      •2•1•0•0•Updated Sep 24, 2022Sep 24, 2022

    • ash

      Public
      Averge Shifted Histograms in python
      Python
      •
      MIT License
      •2•1•0•0•Updated Feb 16, 2021Feb 16, 2021