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Workflow solutions for mass-spectrometry based non-target analysis.

R 69 23 Updated Feb 10, 2026

Python Toolkit for Mass Spectrometry

Python 41 12 Updated Jan 29, 2026

CREST - A program for the automated exploration of low-energy molecular chemical space.

Fortran 293 55 Updated Dec 9, 2025

A LaTeX template for creating beautiful PhD theses, originally created by TU Delft.

TeX 114 60 Updated Jan 30, 2026

Parallelization of the commonly used MobCal suite to calculate ion mobilities and collision cross sections

Fortran 14 6 Updated Dec 3, 2024