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Adafede

Hi there 👋

I am Adriano, pharmacist from Switzerland.

I am currently working on methodologies to improve the characterization of the composition of complex extracts from both qualitative and quantitative point of view using mass spectrometry-based computational metabolomics.

If you are intetrested,

You can also check my gitlab

Contact me via mail

An absolute must read:

Readme Card

Adriano Rutz's Projects

bioregistry icon bioregistry

📮 An integrative registry of biological databases, ontologies, and nomenclatures.

bottchercomplexity icon bottchercomplexity

Mirror for our work implementing the Böttcher (2016 https://pubs.acs.org/doi/abs/10.1021/acs.jcim.5b00723 ) complexity function via RDKit

catalog icon catalog

Made with Manubot catalog (please add your manuscript!!)

compounddb icon compounddb

Creating and using (chemical) compound databases

massbank-web icon massbank-web

The web server application and directly connected components for a MassBank web server

matchms icon matchms

Python library for processing (tandem) mass spectrometry data and for computing spectral similarities.

mist icon mist

Encoding MS/MS spectra using formula transformers for inferring molecular properties

msbackendmgf icon msbackendmgf

Mass Spectrometry Data Backend for Mascot Generic Format (mgf) Files

ralps icon ralps

Regularised adversarial learning for batch normalization. Copy of original repo https://github.com/dmitrav/normalization

rdeditor icon rdeditor

Simple RDKit molecule editor GUI using PySide

slaw icon slaw

Scalable and self-optimizing processing workflow for untargeted LC-MS

smartclass icon smartclass

Repository about chemicals, chemical classes, their relations, and wikidata

smizip icon smizip

An implementation of Roger Sayle's smizip algorithm for short string compression, like SMILES strings

sparql icon sparql

A repository for sparql queries

tmap icon tmap

A very fast visualization library for large, high-dimensional data sets.

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