Pinned Repositories
python-template-maxi
An advanced template repository for python projects
mibig-json
Repository to track changes in MIBiG curation data stored in JSON format
FERMO
Dashboard for analysis of liquid chromatography (tandem) mass spectrometry data.
fermo_core
Data processing/analysis functionality of metabolomics dashboard FERMO
fermo_core_extras
Repository for pre- and post-processing functionality for fermo_core
fermo_docs
fiora
Fiora is an in silico fragmentation algorithm for small compounds and produces simulated tandem mass spectra (MS/MS). The framework uses a graph neural network as the core module and edge prediction to identify likely bond cleavages and fragment ion intensities.
mibigger
mite-preprint-reference
Repository for MITE (Minimum Information about A Tailoring Enzmye) data standard example data
mite_extras
Validation and conversion functionality for reaction SMARTS collected in the scope of MITE
mmzdouc's Repositories
mmzdouc/FERMO
Dashboard for analysis of liquid chromatography (tandem) mass spectrometry data.
mmzdouc/mibigger
mmzdouc/mite_extras
Validation and conversion functionality for reaction SMARTS collected in the scope of MITE
mmzdouc/fermo_core
Data processing/analysis functionality of metabolomics dashboard FERMO
mmzdouc/fermo_core_extras
Repository for pre- and post-processing functionality for fermo_core
mmzdouc/fermo_docs
mmzdouc/fiora
Fiora is an in silico fragmentation algorithm for small compounds and produces simulated tandem mass spectra (MS/MS). The framework uses a graph neural network as the core module and edge prediction to identify likely bond cleavages and fragment ion intensities.
mmzdouc/mite-preprint-reference
Repository for MITE (Minimum Information about A Tailoring Enzmye) data standard example data