RSC CICAG Open Source Tools for Chemistry :- Clustering using KNIME

The workshop has a hands-on component. This isn't mandatory, but I think you'll get more from the workshop if you follow along with what we're doing in your own local copy of the workflow. You can download KNIME here https://www.knime.com/downloads In order to get you started and make sure that you have all the KNIME pieces that you need installed, I created a space in the public KNIME hub for the workshop and have uploaded some introductory material there: https://hub.knime.com/greglandrum/spa... If you are logged into the KNIME hub (registration is free), you can download the workflow and data by simply using the download button: Once you've downloaded the workflow package, you should be able to import everything into the KNIME Analytics Platform by double clicking the "ClusteringIntro.knar" file which is downloaded. If for some reason you don't want to register, then you'll need to navigate to the page for the workflow and the Data folder, download everything individually, and import them into KNIME Analytics Platform manually. You should be able to find information online for how to do this, but I won't be able to help you with this during the workshop due to time constraints. When you open the 01_Clustering workflow, you may be asked if you want to install missing extensions. Please do this in order to ensure that you have everything necessary to follow along during the workshop. Everything we install as part of this process is free and open source. Shortly before the workshop starts I will share an additional workflow which we'll use for the main part of the workshop. I'll give you this link during the workshop. Note that the sample workflows we are using were created with KNIME 4.4 (the version released this summer). For workshops like this we like to use recent versions of KNIME so that we can show you the newest features and capabilities. If you have an older version of KNIME things may or may not work correctly and you may have to replace one or more of the nodes with older equivalents. These workshops are sponsored by Liverpool ChiroChem.