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    8 repositories

    • simple-adsorption-workflow

      Public
      Jupyter Notebook
      •0•0•0•0•Updated Sep 25, 2024Sep 25, 2024

    • CrystalNets.jl

      Public
      A julia package for the manipulation of crystal net representations and topology
      crystaltopologyjuliachemical
      Julia
      •
      MIT License
      •3•40•1•0•Updated Sep 17, 2024Sep 17, 2024

    • elate

      Public
      ELATE: Elastic tensor analysis
      Jupyter Notebook
      •
      MIT License
      •37•67•2•0•Updated Apr 12, 2024Apr 12, 2024

    • CoRE-MOF

      Public
      CoRE-MOF as a Python package
      Python
      •
      MIT License
      •0•6•0•0•Updated Apr 12, 2024Apr 12, 2024

    • FaEB

      Public
      Fast Energy Barrier (FaEB) evaluation tool to assess diffusion in nanoporous materials
      C++
      •
      MIT License
      •1•1•0•0•Updated Oct 11, 2023Oct 11, 2023

    • RAESS

      Public
      Rapid Adsorption Enthalpy Surface Sampling
      C++
      •
      MIT License
      •0•1•0•0•Updated Oct 11, 2023Oct 11, 2023

    • GrAED

      Public
      Grid Adsorption Energy Descriptors
      C++
      •
      MIT License
      •0•1•0•0•Updated Aug 30, 2023Aug 30, 2023

    • amof

      Public
      A python package to analyze Molecular Dynamics (MD) trajectories of amorphous Metal-Organic Frameworks (MOFs).
      Python
      •
      MIT License
      •1•10•1•0•Updated Aug 29, 2023Aug 29, 2023