Skip to content
@atoms-ufrj

ATOMS: Applied Thermodynamics and Molecular Simulation

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

Pinned

  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 21 repositories
  • 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"

    Python 1 0 0 0 Updated Sep 8, 2023
  • playmol Public

    Playmol is a(nother) software for building molecular models

    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".

    Python 0 0 0 0 Updated Jul 7, 2022
  • postlammps Public

    A tool for performing post-processing of lammps log files

    Fortran 13 6 0 0 Updated Jul 28, 2021
  • atoms_site Public

    ATOMS Web Site

    JavaScript 2 9 0 0 Updated Jan 28, 2021
  • atomsmm Public

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

    Python 8 MIT 4 0 0 Updated Apr 11, 2020
  • auxerre Public

    Transport Properties from Molecular Dynamics Using Reciprocal-Space Correlation Analysis

    Python 0 MIT 0 1 0 Updated Feb 6, 2020
  • polybuild Public

    Dispersed polymer configurations for Molecular Dynamics

    Shell 4 MIT 0 0 0 Updated Nov 11, 2019
  • atomsmm_examples Public

    Example Scripts using AtomsMM

    Python 1 MIT 0 0 0 Updated Mar 19, 2019
  • atomsmm-lib Public

    Shared Libraries for AtomsMM

    C++ 0 0 0 0 Updated Mar 15, 2019
View all repositories

Top languages

Loading…

Most used topics

Loading…