mSorok / COCONUT

Related projects ⓘ

Alternatives and complementary repositories for COCONUT

• tlemmin / glycosylator
  Framework for the rapid modeling glycans and glycoproteins.
  ☆28Updated last year
• JamesJeffryes / pyclassyfire
  A python client for the ClassyFire API
  ☆15Updated 4 years ago
• matchms / ms2deepscore
  Deep learning similarity measure for comparing MS/MS spectra with respect to their chemical similarity
  ☆56Updated this week
• mwang87 / NP-Classifier
  ☆19Updated last month
• samgoldman97 / mist
  Encoding MS/MS spectra using formula transformers for inferring molecular properties
  ☆48Updated 5 months ago
• volkamerlab / opencadd
  A Python library for structural cheminformatics
  ☆93Updated 8 months ago
• egonw / cdkbook
  Groovy Cheminformatics with the Chemistry Development Kit
  ☆41Updated 3 months ago
• willfinnigan / RetroBioCat
  ☆21Updated last year
• molstar / mol-view-spec
  ☆17Updated this week
• JoaoRodrigues / interfacea
  An open-source library for the analysis of protein interactions.
  ☆29Updated 2 years ago
• PatWalters / chem_tutorial
  ☆89Updated 2 years ago
• kmansouri / OPERA
  Free and open-source application (command line and GUI) providing QSAR models predictions as well as applicability domain and accuracy as…
  ☆98Updated last month
• kalininalab / GlyLES
  A tool to convert IUPAC representations of glycans into SMILES strings.
  ☆11Updated this week
• haddocking / haddock-tools
  Set of useful HADDOCK utility scripts
  ☆47Updated 2 months ago
• rochoa85 / PepFun
  Bioinformatics and Cheminformatics protocols for peptide analysis
  ☆35Updated last year
• reymond-group / map4
  The MinHashed Atom Pair fingerprint of radius 2
  ☆107Updated last year
• rcsb / py-rcsbsearchapi
  Python interface for the RCSB PDB search API.
  ☆53Updated last month
• pnnl / darkchem
  ☆31Updated last year
• asad / ReactionDecoder
  Reaction Decoder Tool (RDT) - Atom Atom Mapping Tool
  ☆76Updated 2 years ago
• madeleineernst / pyMolNetEnhancer
  ☆18Updated last year
• meowcat / MSNovelist
  ☆59Updated 2 months ago
• zmahnoor14 / MAW
  Metabolome Annotation Workflow
  ☆25Updated 7 months ago
• 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 …
  ☆38Updated 4 months ago
• Philipbear / msbuddy
  a python package for molecular formula analysis in MS-based small molecule studies
  ☆20Updated 2 weeks ago
• harryjubb / arpeggio
  Calculation of interatomic interactions in molecular structures
  ☆69Updated 2 years ago
• MDplot / MDplot
  MDplot: Visualise Molecular Dynamics
  ☆26Updated 2 years ago
• rcsb / py-mmcif
  mmCIF Core Access Library
  ☆38Updated this week
• sirius-ms / sirius
  SIRIUS is a software for discovering a landscape of de-novo identification of metabolites using tandem mass spectrometry. This repository…
  ☆88Updated 2 weeks ago
• althonos / peptides.py
  Physicochemical properties, indices and descriptors for amino-acid sequences.
  ☆70Updated 2 months ago
• speleo3 / pymol-psico
  Pymol ScrIpt COllection (PSICO)
  ☆57Updated 3 months ago