KNIME is a modular data exploration platform that enables the user to visually create data flows (often referred to as pipelines), selectively execute some or all analysis steps, and later investigate the results through interactive views on data and models.
All managed Linux workstations and managed Windows workstations.
The version available to people who have access to Schrodinger contains the non-free Schrodinger workflows in addition to the free workflows.
On Linux
$ module add knime $ knime
On Windows the package may already be installed on your machine. If not, ask the Computer Officers to add it to the list of automatically installed software for your machine.
On Windows
At the time of writing, the version of KNIME packaged with Schrodinger appears in the start menu as KNIME, whereas the standalone version appears as KNIME Analaytics Platform.
Note: if, after starting KNIME, you only see the splash loading screen and the program appears not to load, please check for hidden dialog boxes that may be behind other windows (e.g. minimise all other windows, or hit alt-tab to cycle between windows).
KNIME has a dual licence scheme. For the copies containing the Schrodinger workflows we are using the non-Free version; the other copies are GPLv3. Please see https://www.knime.com/ licensing details.
KNIME itself is very easy to install. On Linux just unpack it into where you want it to go, usually a copy in /usr/local/shared/knime/version and one in /usr/local/shared/knime-schrodinger/version. Once you've done that, install extensions. Run it as root and go to File, Install KNIME extensions. Install everything you can get your hands on.
We also install the Schrodinger extensions into the -schrodinger version. This makes our KNIME non-free. This can be done from the GUI extension installer by pointing it at https://support.schrodinger.com/releases/knime/extensions/ and entering someone's Schrodinger account details; it can then download the extensions. Make sure to go back in and disable the site afterwards, or KNIME will prompt you to sign into it on startup for ever more.
Our module file for Linux detects if you're in the schrodinger-users group or not, and loads the Schrodinger module and the version of KNIME with Schrodinger extensions if you are.
Schrodinger also comes with a version of KNIME built in, but what you get is whatever happened to be current when that version of Schrodinger was released. When you're installing new versions of Schrodinger check the built in KNIME version and then install the equivalent non-Schrodinger version in /usr/local/shared/knime/version ; there is no need to install that version in /usr/local/shared/knime-schrodinger/ as the one from inside Schrodinger will be used.
