@cosmo-epfl

Laboratory of Computational Science and Modeling

Public repositories for code developed at the L-COSMO

  • i-pi

    Forked from i-pi/i-pi

    i-PI: a universal force engine

    Python 4 Updated Nov 19, 2018
  • A scalable and versatile library to generate representations for atomic-scale learning

    C 2 LGPL-3.0 1 issue needs help Updated Nov 19, 2018
  • A rehaul of the glosim code, adding new features and removing many unused ones.

    Python 6 2 MIT Updated Nov 8, 2018
  • Scripts, jupyter nbs, and general helpful stuff from COSMO by COSMO

    Python Updated Nov 7, 2018
  • Development version of i-PI

    Python 18 12 Updated Nov 1, 2018
  • Suite of programs to perform non-linear dimensionality reduction -- sketch-map in particular

    C++ 19 7 GPL-3.0 Updated Sep 24, 2018
  • Assorted libraries and utilities for atomistic simulation analysis

    C++ 1 2 Updated Aug 21, 2018
  • Inputs and hand-outs for a PIMD tutorial based on i-PI

    TeX 3 2 Updated Jun 29, 2018
  • Python 4 Updated May 17, 2018
  • A Python package to compute similarities between molecules and structures

    Python 16 8 MIT Updated Apr 25, 2018
  • A set of post-installation shell scripts for Ubuntu

    Shell 219 GPL-3.0 Updated Apr 13, 2018
  • Tools for the Probabilistic Analysis of Molecular Motifs method

    Fortran 2 2 GPL-3.0 Updated Mar 1, 2018
  • An Interactive Sketch-Map Visualizer

    JavaScript MIT Updated Feb 25, 2018
  • Internal COSMO developments of LAMMPS source

    C++ 535 GPL-2.0 Updated Nov 3, 2017
  • Internal COSMO developments of PLUMED2

    C++ 111 LGPL-3.0 Updated Sep 15, 2017
  • Utilities to generate input parameters for Generalized Langevin Equation thermostats

    C++ 1 5 Updated Sep 6, 2017
  • Exercise files and handouts for a sampling tutorial, from thermostatting to non-linear dimentionality reduction

    TeX GPL-3.0 Updated Jul 5, 2017
  • COSMO version of gromacs

    C 1 Updated Apr 25, 2017
  • Webpages for the code repositories of the Laboratory of Computational Science and Modelling @ EPFL

    CSS 1 Updated Feb 20, 2017
  • q-e

    Forked from certik/q-e

    COSMO custom version of QE

    Fortran 10 GPL-2.0 Updated Aug 25, 2016