9 projects
msmetaenhancer
Repository for tool that adds more annotations (e.g. SMILES, InChI, CAS number) to MSP files (Python version).
epyraw
Python wrapper for Thermo Fisher RawFileReader library - read .raw mass spectrometry files in Python
wtv
A library and CLI for ion selection in mass spectrometry data.
aoptk
Tools to support data mining for the development of (q)AOPs
rcx-tk
This package adjusts and cleans the metadata file provided by a user.
fs-irods
PyFilesystem2 extension for iRODS
freqsap
freqsap can be used to query the frequency of single amino-acid polymorphisms
RIAssigner
Python library for retention index calculation.
gc-meox-tms
In-silico MeOX/TMS derivatization of chemical compounds
