mmzdouc

mmzdouc's Stars

• epam/ketcher

  Web-based molecule sketcher

  Language:TypeScript469363k165

• antismash/antismash

  antiSMASH

  Language:Python1831426364

• mwang87/MassQueryLanguage

  The Mass Spec Query Language (MassQL) is a domain specific language meant to be a succinct way to express a query in a mass spectrometry centric fashion.

  Language:Python3891148

• FloatingOctothorpe/python-kanban

  A simple Kanban board using Flask and SQLite

  Language:JavaScript376116

• zreitz/multismash

  A workflow and scripts for large-scale antiSMASH analyses

  Language:Python272111

• LucaCappelletti94/ugly_csv_generator

  Python package to generate ugly real-looking csvs.

  Language:Python25231

• BAMeScience/fiora

  Fiora is an in silico fragmentation algorithm for small compounds that produces simulated tandem mass spectra (MS/MS). The framework employs a graph neural network to predict bond cleavages and fragment ion intensities via edge prediction. Additionally, Fiora can estimate retention times (RT) and collision cross sections (CCS) of the compounds.

  Language:Jupyter Notebook23322

• coleygroup/rdcanon

  SMARTS sanitization

  Language:Jupyter Notebook22223

• glasgowcompbio/vimms

  A programmable and modular LC/MS simulator in Python

  Language:Python1951676

• madeleineernst/pyMolNetEnhancer

  Language:Jupyter Notebook18449

• Philipbear/msbuddy

  a python package for molecular formula analysis in MS-based small molecule studies

  Language:Python18222

• LucaCappelletti94/compress_json

  The missing Python utility to read and write compressed JSONs.

  Language:Python16243

• MiguelMSandin/SSNetworks

  A brief, quick and dirty introduction to Sequence Similarity Networks

  Language:Python16102

• tiagolbiotech/NPOmix_python

  Language:Jupyter Notebook13254

• adraismawur/python-template-mini

  A simple template repository for python projects

  Language:Python111

• streptomyces/ripper

  Searching for precursor peptide genes for ribosomally synthesized and post-translationally modified peptides (RiPPs).

  Language:Perl8162

• mibig-secmet/mibig-json

  Repository to track changes in MIBiG curation data stored in JSON format

  Language:Python663126

• adraismawur/python-template-maxi

  An advanced template repository for python projects

  Language:Python5100

• adraismawur/python-template-midi

  An intermediate template repository for python projects

  Language:Python50

• holmrenser/introduction_to_react

  Code, assignments and slides for a 50minute introduction to building web apps with react.

  Language:TeX41

• dantheand/msms_structure_annot

  Language:Python31100

• davidmeijer/versalign

  Multiple sequence aligner for arbitrary objects.

  Language:Python3111

• jvrana/pyblast2

  Language:Python3220

• mite-standard/mite_extras

  Validation and conversion functionality for reaction SMARTS collected in the scope of MITE

  Language:Python34111

• nlouwen/submission-prototype

  Language:Python3101

• adraismawur/git-workshop

  Repository for the BIF GIT workshop

  2119

• mite-standard/mite_data

  Repository containing entries following the MITE data standard

  Language:Python10

• mite-standard/mite_schema

  A repository containing the MITE JSON schema and auxiliary files

  Language:Python10

• moltools/COMET

  COmparative Molecular Enrichment Tool

  Language:Python1

• moltools/RetroMol.Core

  Reaction chemistry using RDKit-powered functions.

  Language:Python1000