Today the Vernalis nodes have been updated to version 1.8.0 on the nightly build. this update includes most of the imminent-release nodes discussed at the recent KNIME Cheminformatics SIG (see links below). This is a major new release encompassing 31 new nodes.
From the change log:
- 'Speedy SMILES' nodes (16 nodes) added for fast high-throughput pre-processing of SMILES strings (see slidesfrom 5th Cheminformatics SIG for details)
- Benchmarking nodes with memory monitoring (6 nodes) added to Testing -> Benchmarking
- Memory Use node added to Testing
- Empty Column Checker node added to Testing - node ensures table columns have at least one non-missing cell in test cases
- Multi-file reader source nodes added to IO folder (Load Local ... Files - currently 7 nodes - CDXML, Mol, Mol2, PDB, RXN XML and text) NB These nodes will accept a single flow variable for multiple files. From the node documentation, "Alternatively, a flow variable can be specified, containing one or more filenames separated by ';'"
- Many existing nodes are now streamable (more will become streamable in due course)
We anticipate moving this release to the stable builds in the coming weeks - please let us know of any issues asap with these new nodes.