mzOS
====

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## Small library for features annotations in  LC-MS metabolomics experiments:

* [x] isotopes detection
* [x] adducts/fragments annotation using simple heuristics (when conflicts)
* [x] database search (HMDB, LMSD) from local sqlite file (fast)
* [x] database assignment scoring based on predicted isotopic distribution and bayesian algorithm. 
* [ ] functionnal annotation, metabolite pathway enrichment analysis (MPEA)

More details [here](http://jerkos.github.io/mzOS)

## Dependancies

* numpy
* scipy
* scikit-learn
* pandas

## TODOs:

* documentation
