5 projects
RIAssigner
Python library for retention index calculation.
wtv
A library and CLI for ion selection in mass spectrometry data.
msmetaenhancer
Repository for tool that adds more annotations (e.g. SMILES, InChI, CAS number) to MSP files (Python version).
rcx-tk
This package adjusts and cleans the metadata file provided by a user.
gc-meox-tms
In-silico MeOX/TMS derivatization of chemical compounds
