Chemistry

CSC supports computational chemistry and related sciences via a large selection of preinstalled software, consulting (via Service Desk), coordinating software consortia and providing instructions to run installed programs as well as organising training events with the users.

Most of the services are free for academic researchers in Finland, but require a user account at CSC.

Chemistry software list has chemistry related softaware filtered for you. On the same page you can view all available software by clicking on the software tag on the top left.

A separate page presents Chemistry databases and selected free database resources on the web.

Recently machine learning methods have become increasingly relevant also in Chemistry. Have a look at the Machine Learning in Chemistry Jupyter Notebook tutorial or the NOMAD analytics toolkit for inspiration.

Getting Started is a collection useful information for new CSC users.