rufalexan / mol2net Star 6 Code Issues Pull requests Network analysis from a list of molecules networkx network-visualization network-analysis complex-systems chemical-reaction-networks astrochemistry high-resolution-mass-spectrometry reaction-networks Updated Dec 20, 2022 Python
aberHRML / binneR Star 3 Code Issues Pull requests An R package for spectral binning of FIE-HRMS metabolomic fingerprinting data cran r fingerprinting metabolomics mass-spectrometry fie-hrms spectral-binning high-resolution-mass-spectrometry Updated Jul 2, 2024 R