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    16 repositories

    • wilmerlab.github.io

      Public
      WilmerLab website
      SCSS
      •
      MIT License
      •27k•0•0•1•Updated Jun 2, 2025Jun 2, 2025

    • mofun

      Public
      Python
      •
      MIT License
      •1•23•2•0•Updated Mar 8, 2023Mar 8, 2023

    • rater

      Public
      Image submission / assessment
      JavaScript
      •1•0•0•0•Updated Sep 7, 2022Sep 7, 2022

    • sensor_array_mof_adsorption

      Public
      Python
      •6•2•0•0•Updated Jul 19, 2021Jul 19, 2021

    • functionaliseMOF

      Public
      Python
      •3•0•0•0•Updated Jun 16, 2021Jun 16, 2021

    • lammps

      Public
      Fork of the LAMMPS MD software package for fixing the heat flux commands. For corrected heat flux patch described in JCTC, please use corrected_heatflux branch.
      C++
      •
      GNU General Public License v2.0
      •1.9k•9•0•0•Updated Jun 15, 2021Jun 15, 2021

    • htsohm

      Public
      Python
      •
      MIT License
      •6•0•0•0•Updated Jun 10, 2021Jun 10, 2021

    • raspa2

      Public
      fork of Dubbeldam's uva.nl RASPA repository to include additions for sensor_array_mof_adsorption project
      C
      •
      Other
      •3•6•0•1•Updated May 16, 2019May 16, 2019

    • IPMOF

      Public
      Discovering interpenetration in MOFs
      Python
      •6•5•0•2•Updated Aug 2, 2018Aug 2, 2018

    • lammps-data-file

      Public
      Lammps data file creation
      Python
      •
      MIT License
      •8•0•0•0•Updated Jun 5, 2017Jun 5, 2017

    • rq

      Public
      Simple job queues for Python // edits for Pitt integration with our HPC jobs
      Python
      •
      Other
      •1.4k•0•0•0•Updated May 16, 2016May 16, 2016

    • stackdocs

      Public
      Documentation for setting up a standard stack
      MIT License
      •0•1•0•0•Updated Mar 28, 2016Mar 28, 2016

    • testrepo

      Public
      this is just a test
      0•0•0•0•Updated Aug 24, 2015Aug 24, 2015

    • pseudo-mat

      Public
      pseudo materials generator and job management
      4•0•0•0•Updated Dec 29, 2014Dec 29, 2014

    • scipy-tutorial-2014

      Public
      Tutorial on reproducible research practices at SciPy 2014
      Jupyter Notebook
      •
      Apache License 2.0
      •94•0•0•0•Updated Jul 7, 2014Jul 7, 2014

    • EQeq

      Public
      DEPRECATED. Charge equilibration method for crystal structures
      C++
      •16•3•0•0•Updated Jan 17, 2014Jan 17, 2014