RDKit To InChI Streamable

Converts RDKit molecules into InChI Codes and optionally also into InChI Keys.

RNADigestor 

Digests an RNA sequence database in-silico.

MRMPairFinder 

Util which can be used to evaluate labeled pair ratios on MRM features.

RDKit Two Component Reaction 

Applies a reaction to two RDKit Mol columns.

SiriusExport 

Metabolite identification using single and tandem mass spectrometry

MRMMapper 

MRMMapper maps measured chromatograms (mzML) and the transitions used (TraML)

SDF SSH 

run SSH with stdin and out

AssayGeneratorMetabo 

Assay library generation from DDA data (Metabolomics)

IDDecoyProbability 

Estimates peptide probabilities using a decoy search strategy. WARNING: This util is deprecated.