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University of Chinese Academy of Science
Stars
Mass spectrometry imaging molecular spatial probability maps.
Out-of-core statistical computing and signal processing
The similarity score for spectral comparison
Cloud engine and platform for metabolite annotation for imaging mass spectrometry
Python Implementation of the msiPL by Abdelmoula et al.
Autonomous and accurate clustering of co-localized ion images in a self-supervised manner.
Search spectral library with entropy similarity
A global network optimization approach for untargeted LC-MS metabolomics data annotation and metabolite discovery
MetEx is a tool to extract and annotate metabolites from liquid chromatography–mass spectrometry data.
Universal workbench incorporating msdial, msfinder, and mrmprobs
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An annotated implementation of the Transformer paper.
pyOpenMS readthedocs documentation, additional utilities, addons, scripts, and examples.
Tutorials to learn how to work with the RDKit
Comparing popular interactive plotting packages for Python
Implementation of Siamese Networks for image one-shot learning by PyTorch, train and test model on dataset Omniglot