Code repositories from the Laboratory of Computational Science and Modelling at EPFL

You can visit our homepage to get an idea of the kind of research we do at COSMO, visit our Github organization page to see the different open repositories that are available.
Some project-specific pages are also available:
GLE4MD: Generalized Langevin Equation thermostats for molecular dynamics. Also contains a few pages explaining i-PI, a Python interface for Path Integral Molecular Dynamics.
Sketch-map: Tools, tutorials and references for non-linear dimensionality reduction techniques to understand the configuration space of complex materials and molecules.
chemiscope: An interactive structure-property explorer for atomistic datasets, and a collection of modular widgets that can be used to build custom web interfaces or used in a Jupyter environment.