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

This page is just an index of the documentation and project websites for the software repositories developed by the Laboratory of Computational Science and Modeling (COSMO). You can visit our homepage to get an idea of the kind of research we do at COSMO, and visit our Github organization page to see all the different open repositories that are available, some of which do not provide a dedicated website.

List of project-specific pages within the lab-cosmo organization

i-pi-dev_archive

Development version of i-PI

gle4md

Utilities to generate input parameters for Generalized Langevin Equation thermostats

sketchmap

Suite of programs to perform non-linear dimensionality reduction -- sketch-map in particular

lab-cosmo.github.io

Webpages for the code repositories of the Laboratory of Computational Science and Modelling @ EPFL

librascal

A scalable and versatile library to generate representations for atomic-scale learning

chemiscope

An interactive structure/property explorer for materials and molecules

nice

No description available.

sparse_accumulation

No description available.

atomistic-cookbook

A cookbook wtih recipes for atomic-scale modeling of materials and molecules

ShiftML

A python package for the prediction of chemical shieldings of organic solids and beyond.