Speedy SMILES Remove p-block Metal-containing Molecules Filter Streamable

Node to remove rows with molecules containing p-block metals

Speedy SMILES Remove f-block Metal-containing Molecules Filter Streamable

Node to remove rows with molecules containing f-block metals

Fingerprint to Binary String Streamable

This node converts binary (bitvector) fingerprints to a binary String representation

File Cells to Port 

Turns a table with file store cells into a port object for use with Generic KNIME Nodes.

Speedy SMILES Remove f-block Metal-containing Molecules Splitter Streamable

Node to remove rows with molecules containing f-block metals

Speedy SMILES Remove d-block Metal-containing Molecules Splitter Streamable

Node to remove rows with molecules containing d-block metals

Fingerprint to Hexadecimal String Streamable

This node converts binary (bitvector) fingerprints to a Hexadecimal String representation

Speedy SMILES Replace Dummy Atom Streamable

Node to replace dummy atoms with an alternative atom

PDB Connector Query Builder 

Node to generate an advanced RCSB query

Speedy SMILES Convert D / T Pseudoatoms to Hydrogen Isotopes Streamable

Node to convert the D and T pseudoatoms to 2H and 3H isotopes