In COSMO, we do our best to make our research open, reproducible and FAIR (Findable, Accessible, Interoperable and Reusable). 
The codes and datasets that are generated as a product of the group’s scientific activities are disseminated according to an Open Science philosophy and stored in the following repositories:
- Lab COSMO GitHub, which contains updated versions of the open codes developed in the group and collects active contributors, many of them former COSMO members. The projects with active documentation pages are also collected on the COSMO package index.
- Since 2020, all the relevant datasets, input files and scripts or notebooks generated and employed alongside paper publications are uploaded on the Materials Cloud Platform – born under the auspices of the Swiss NCCR Marvel, the European MAX Centre of Excellence for Supercomputing Applications, and EPFL – or, for largest records, on Zenodo, a service offered and funded by CERN and EU (OpenAIRE), and currently the largest scientific repository for software. The collection of COSMO-related repositories can be found here (Materials Cloud) or here (Zenodo, keywords: “
lab-cosmo”). All these records are versioned and citable via a uniquely assigned DOI.
A good way to get introduced to the software we develop is to visit the atomistic cookbook, a collection of “computational” recipes to solve many materials modeling problems, often based on our programs.
During these years, we have also developed the following online tools for working with materials data. No download or installation is needed. Just click-and-run!
- Chemiscope: interactive structure/property explorer for materials and molecules.
- ShiftML: chemical shifts in molecular solids by machine learning.
- AlphaML: machine learning of molecular polarizabilities.
- GLE4MD: colored-noise thermostats for molecular dynamics.