Update to v1.13.0 (Nightly only) - New Speedy SMILES nodes and improvements to existing nodes

We have updated to v1.13.0 on the nightly build
This adds new Speedy SMILES Nodes:

  • Filters
    • Dummy Atoms Filter / Splitter nodes
  • Manipulators
    • Clean ‘.’ Non-bonds
    • Clean Bonds
    • Clean Charges
    • Clean Isotope labels
    • Convert D/T Pseudoatoms to H Isotopes
    • Convert H Isotopes to D/T Pseudoatoms
    • Convert to scaffold
    • Dummy Atom Atom Class to Isotope label (e.g. [:3] → [3])
    • Dummy Atom Isotope label to Atom Class (e.g. [3*] → [*:3])
    • Replace Dummy Atom
    • Strip Double Bond Geometry
    • Strip Chirality
  • Properties
    • Dummy atom count

Also, column name prefix / suffix handling is improved, and when ‘Remove input column’ is selected where available, the input column is retained in the output (existing nodes in workflows will maintain previous behaviour)

All nodes now produces SMILES Adapter Cells

All nodes now streamable and parallelise (including Filters/Splitters)

We will transfer these nodes to the stable build in the coming weeks, most likely following another interim release of further new nodes.

As always, any problems, suggestions etc., please do get in touch,


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