We are pleased to announce a new update of our Pharmacelera KNIME nodes. Access to our tools is enhanced with the update of our nodes, making them easier to use for scientists who are familiar with KNIME and for first-time users. Not only have we adapted our tools to the latest versions of KNIME, but we have also provided them with new functionalities compared to previous versions.
Let’s take a look at some of the new features:
- The nodes have been configured so they can always use the latest version of PharmScreen and exaScreen.
- The exaScreen node is now available! Our latest technology for huge chemical library screening is now available in KNIME, which mean that you can know mine efficiently billions of compounds, obtaining a list of synthesizable and purchasable compounds that can be further analyzed with your preferred cheminformatics workflow.
- The nodes are now compatible with the Pharmacelera API. This option allows you to run your calculations in your own computer, no matter if it is running Linux, Windows or Mac.
- Need more computer power? An additional feature that comes with the Pharmacelera API is the possibility to run your calculations on an external computer (workstation or cluster), adding the possibility to access to HPC resources.
- New design for node configuration. KNIME is changing its interface to Modern UI. And our nodes too. This new interface allows to group the configuration elements, so you can easily identify the different options of the node.
- Compatibility with the latest version of KNIME: The latest version is 5.2, so we have made our nodes compatible with it. However, we understand that many users may be using 4.7, so we will maintain compatibility with this version, although we encourage migration.
- The nodes are accompanied by new components that facilitate the configuration of the input data, like the exaScreen configuration, helping you to load your files and select where to cut your reference molecule.
- Third party nodes are evolving constantly, so we have reviewed our previous workflows and updated them, including new ones.
Try them now!
KNIME is an open-source platform built to productionize data science from day 1 by a team with a strong scientific background. Today it has a strong user community of 300,000+ across all industries and in over 60 countries.