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.

Getting started with CSC services

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

Chemistry software and databases

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.

Guides and tutorials

Guides to our services, as well as lots of tutorials and FAQs can be found in docs.csc.fi

Trainings & materials

This page lists training and materials that a useful in particular for chemists.

• Upcoming trainings can be viewed in our training calendar
• Selected training materials and webinar recordings for using CSC resources
• Accessing CSC services with the NoMachine remote desktop client(recommended!)
• Materials of Scripting Techniques workshop for and introduction to efficient command line usage
• Spring School on Computational Chemistry - annual 4 day intensive hands on school.

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.