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MannLabs
alphatims MannLabs
28
86
apache-2.0
10
An open-source Python package for efficient accession and visualization of Bruker TimsTOF raw data from the Mann Labs at the Max Planck Institute of Biochemistry.
ms cli dda dia gui tof tims pasef python ion-mobility lc-tims-msms mass-spectrometry max-planck-institute
Created 2020-11-07
987 commits to main branch, last one 10 days ago
pnnl
isicle pnnl
20
58
bsd-3-clause
8
In silico chemical library engine for high-accuracy chemical property prediction
ion-mobility metabolomics standards-free chemical-shifts quantum-chemistry molecular-dynamics collision-cross-section computational-chemistry density-functional-theory high-performance-computing
Created 2018-07-26
1,021 commits to master branch, last one 23 days ago