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MassBank
MassBank is an open source mass spectral library for the identification of small chemical molecules of metabolomics, exposomics and environmental relevance.
- database
- Earth & Environment
- mass spectrometry
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PeakPerformance
PeakPerformance is a Python toolbox for estimating peak areas from mass-spectrometry or HPLC datasets under uncertainty. It applies Bayesian inference using the PyMC library to parametric models of peak curves.
- Data analysis
- Earth & Environment
- mass spectrometry
- + 4
- Python
- TeX
3
0
uNAC
uNAC - the universal natural abundace correction tool for istotopic labeling data
- 13C
- mass spectrometry
- metabolic networks
- + 1
- Python
- Dockerfile
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