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    8 repositories

    • MartinoidPeptoidCG

      Public
      Repository of all relevant scripts and data to generate inputs for the use of Martinoid, the Martini compatible peptoid forcefield, with Gromacs molecular dynamics software.
      Python
      •0•1•0•0•Updated Jan 21, 2025Jan 21, 2025

    • glassware

      Public
      Python
      •
      The Unlicense
      •0•0•0•0•Updated Jan 17, 2025Jan 17, 2025

    • Descriptors

      Public
      Automated Descriptors for High-Throughput Screening of Peptide Self-Assembly
      Python
      •0•0•0•0•Updated Dec 3, 2024Dec 3, 2024

    • StudentProjectAssignment-avt

      Public
      Python
      •
      The Unlicense
      •1•0•0•0•Updated Oct 24, 2024Oct 24, 2024

    • DeepSolv

      Public
      Python
      •
      The Unlicense
      •0•2•0•0•Updated Jul 22, 2024Jul 22, 2024

    • Tutorials

      Public
      Jupyter Notebook
      •
      The Unlicense
      •0•0•0•0•Updated Oct 25, 2023Oct 25, 2023

    • autodE

      Public
      automated reaction profile generation
      Python
      •
      MIT License
      •56•0•0•0•Updated Oct 17, 2023Oct 17, 2023

    • Scripts_For_Reports

      Public
      Repo for sharing scripts in reports, i.e. Nine Month Report
      Python
      •0•0•0•0•Updated Jun 25, 2022Jun 25, 2022