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LVPP

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  1. sigma sigma Public

    LVPP sigma-profile database + COSMO-SAC parametrizations

    Python 60 28

  2. pysac pysac Public

    Pairwise interaction segment activity coefficients, reference implementation in Python

    Jupyter Notebook 15 1

  3. f-sac f-sac Public

    Functional-Segment Activity Coefficient model

    Fortran 4 4

  4. TriangularPlot TriangularPlot Public

    A jfreechart extension for triangular plots (ternary diagrams).

    Java 1

  5. nwchem nwchem Public

    Forked from nwchemgit/nwchem

    NWChem: Open Source High-Performance Computational Chemistry

    Fortran

  6. molecular-modelling molecular-modelling Public

    Forked from shoubhikraj/molecular-modelling

    PowerShell

Repositories

Showing 7 of 7 repositories
  • jcosmo-docs Public

    JCOSMO documentation

    TeX 0 CC-BY-4.0 0 0 0 Updated Mar 4, 2025
  • sigma Public

    LVPP sigma-profile database + COSMO-SAC parametrizations

    Python 60 MIT 28 6 0 Updated Feb 21, 2025
  • pysac Public

    Pairwise interaction segment activity coefficients, reference implementation in Python

    Jupyter Notebook 15 MIT 1 0 0 Updated Apr 27, 2024
  • molecular-modelling Public Forked from shoubhikraj/molecular-modelling
    PowerShell 0 MIT 2 0 0 Updated May 8, 2022
  • nwchem Public Forked from nwchemgit/nwchem

    NWChem: Open Source High-Performance Computational Chemistry

    Fortran 0 174 0 0 Updated Aug 6, 2021
  • TriangularPlot Public

    A jfreechart extension for triangular plots (ternary diagrams).

    Java 1 0 0 0 Updated Aug 26, 2020
  • f-sac Public

    Functional-Segment Activity Coefficient model

    Fortran 4 4 1 1 Updated Nov 8, 2019

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