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@atoms-ufrj

ATOMS: Applied Thermodynamics and Molecular Simulation

Software Development at the ATOMS Research Group, Rio de Janeiro, Brasil

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  1. playmol playmol Public

    Playmol is a(nother) software for building molecular models

    Fortran 17 5

  2. atoms_site atoms_site Public

    ATOMS Web Site

    JavaScript 2 9

  3. atomsmm atomsmm Public

    AtomsMM is an OpenMM customization for the ATOMS group at UFRJ/Brazil

    Python 8 4

Repositories

Showing 10 of 22 repositories
  • CHCL-article-2024 Public
    atoms-ufrj/CHCL-article-2024’s past year of commit activity
    Python 0 1 0 0 Updated Oct 14, 2024
  • PSCP-article-2023 Public

    Additional information about the article "Revisiting the Pseudo-supercritical path Method: An Improved Formulation for the Alchemical Calculation of Solid-Liquid Coexistence"

    atoms-ufrj/PSCP-article-2023’s past year of commit activity
    Python 1 1 0 0 Updated Sep 8, 2023
  • playmol Public

    Playmol is a(nother) software for building molecular models

    atoms-ufrj/playmol’s past year of commit activity
    Fortran 17 GPL-3.0 5 1 0 Updated Mar 14, 2023
  • jctc-lbf-paper Public

    Additional information about the manuscript "A New Formulation for the Concerted Alchemical Calculation of van der Waals and Coulomb Components of Solvation Free Energies".

    atoms-ufrj/jctc-lbf-paper’s past year of commit activity
    Python 0 0 0 0 Updated Jul 7, 2022
  • postlammps Public

    A tool for performing post-processing of lammps log files

    atoms-ufrj/postlammps’s past year of commit activity
    Fortran 13 6 0 0 Updated Jul 28, 2021
  • atoms_site Public

    ATOMS Web Site

    atoms-ufrj/atoms_site’s past year of commit activity
    JavaScript 2 9 0 0 Updated Jan 28, 2021
  • atomsmm Public

    AtomsMM is an OpenMM customization for the ATOMS group at UFRJ/Brazil

    atoms-ufrj/atomsmm’s past year of commit activity
    Python 8 MIT 4 0 0 Updated Apr 11, 2020
  • auxerre Public

    Transport Properties from Molecular Dynamics Using Reciprocal-Space Correlation Analysis

    atoms-ufrj/auxerre’s past year of commit activity
    Python 0 MIT 0 1 0 Updated Feb 6, 2020
  • polybuild Public

    Dispersed polymer configurations for Molecular Dynamics

    atoms-ufrj/polybuild’s past year of commit activity
    Shell 4 MIT 0 0 0 Updated Nov 11, 2019
  • atomsmm_examples Public

    Example Scripts using AtomsMM

    atoms-ufrj/atomsmm_examples’s past year of commit activity
    Python 1 MIT 0 0 0 Updated Mar 19, 2019
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