Adriano Rutz's Projects
https://adafede.github.io/
📮 An integrative registry of biological databases, ontologies, and nomenclatures.
Mirror for our work implementing the Böttcher (2016 https://pubs.acs.org/doi/abs/10.1021/acs.jcim.5b00723 ) complexity function via RDKit
Made with Manubot catalog (please add your manuscript!!)
Dagstuhl CXSMILES
ChEMBL database structure pipelines
Creating and using (chemical) compound databases
Create Standalone Installable Shiny Apps
A Kotlin(JVM) connector for GNFinder (gRPC), PubMed and CrossREF.
The web server application and directly connected components for a MassBank web server
Python library for processing (tandem) mass spectrometry data and for computing spectral similarities.
Calculation and visualization of molecular networks based on t-SNE algorithm
Encoding MS/MS spectra using formula transformers for inferring molecular properties
Mass Spectrometry Data Backend for Mascot Generic Format (mgf) Files
https://adafede.github.io/my-presentations/
https://adafede.github.io/my-queries/
MZmine 3 source code repository
mzmine_documentation
Open Notebook for Wikidata scripts
Regularised adversarial learning for batch normalization. Copy of original repo https://github.com/dmitrav/normalization
Simple RDKit molecule editor GUI using PySide
Wikidata scholarly profiles
Scalable and self-optimizing processing workflow for untargeted LC-MS
Repository about chemicals, chemical classes, their relations, and wikidata