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    10 repositories

    • pka-theory-paper-public

      Public
      Figures and code for pka figure paper
      Python
      •0•1•0•0•Updated Apr 3, 2026Apr 3, 2026

    • loos

      Public
      LOOS: a lightweight object-oriented structure analysis library
      molecular-dynamicscomputational-chemistry
      molecular-dynamicscomputational-chemistry
      C++
      •
      GNU General Public License v3.0
      •24•129•11•1•Updated Mar 19, 2026Mar 19, 2026

    • loos-feedstock

      Public
      A conda-smithy repository for loos.
      Shell
      •
      BSD 3-Clause "New" or "Revised" License
      •3•0•0•0•Updated Oct 27, 2025Oct 27, 2025

    • FLOPSS-Tutorial-Suite

      Public
      Free energy Landscape Of Phase Separating Systems
      Shell
      •0•2•0•0•Updated May 22, 2024May 22, 2024

    • staged-recipes

      Public
      A place to submit conda recipes before they become fully fledged conda-forge feedstocks
      Python
      •
      BSD 3-Clause "New" or "Revised" License
      •5.9k•0•0•0•Updated Oct 26, 2022Oct 26, 2022

    • software-community

      Public
      Templates for use in preparing articles for the Living Journal of Computational Molecular Sciences (LiveCoMS)
      TeX
      •
      Creative Commons Attribution 4.0 International
      •15•0•1•0•Updated Aug 24, 2022Aug 24, 2022

    • arrestin-anm

      Public
      Code and data associated with Seckler et al paper on ANM applied to arrestin
      Python
      •0•0•0•0•Updated May 14, 2022May 14, 2022

    • stats_demos_jupyter

      Public
      A set of Jupyter notebooks for explaining simple concepts in statistics
      Jupyter Notebook
      •0•4•0•0•Updated Jan 29, 2021Jan 29, 2021

    • NMEA-paper

      Public
      Scripts used to generate data and figures for anisotropic terahertz spectroscopy paper
      Rich Text Format
      •2•1•0•0•Updated Dec 18, 2020Dec 18, 2020

    • openmm

      Public
      OpenMM is a toolkit for molecular simulation using high performance GPU code.
      C++
      •601•2•0•0•Updated Jun 1, 2017Jun 1, 2017
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