Alternatives and similar repositories for darkchem:

Users that are interested in darkchem are comparing it to the libraries listed below

• XiminHu / mass-suite
  ☆23Updated 11 months ago
• pnnl / MSAC
  ☆22Updated last year
• Boehringer-Ingelheim / pyPept
  pyPept: a python library to generate atomistic 2D and 3D representations of peptides
  ☆66Updated 4 months ago
• JamesJeffryes / pyclassyfire
  A python client for the ClassyFire API
  ☆16Updated 4 years ago
• samgoldman97 / mist
  Encoding MS/MS spectra using formula transformers for inferring molecular properties
  ☆50Updated 7 months ago
• Merck / PepSeA
  ☆23Updated 3 years ago
• matchms / ms2deepscore
  Deep learning similarity measure for comparing MS/MS spectra with respect to their chemical similarity
  ☆56Updated this week
• BAMeScience / fiora
  Fiora is an in silico fragmentation algorithm for small compounds that produces simulated tandem mass spectra (MS/MS). The framework empl…
  ☆26Updated this week
• merlin-ms / awesome-mass-spectral-libraries
  ☆17Updated 8 months ago
• Novartis / pqsar2cpd
  pqsar2cpd is a deep learning algorithm for translation of activity profiles into novel molecules.
  ☆30Updated last year
• pnnl / deimos
  ☆33Updated 3 weeks ago
• rochoa85 / PepFun
  Bioinformatics and Cheminformatics protocols for peptide analysis
  ☆37Updated 2 years ago
• hesther / enzymemap
  Python package to atom map, correct and suggest enzymatic reactions
  ☆35Updated 9 months ago
• JoaoRodrigues / interfacea
  An open-source library for the analysis of protein interactions.
  ☆29Updated 3 years ago
• brianjimenez / pydock_tutorial
  PyDock Tutorial
  ☆30Updated 6 years ago
• mwang87 / NP-Classifier
  ☆19Updated 3 months ago
• christinadebruynkops / GLORYx
  Prediction of metabolites formed by phase I and phase II xenobiotic metabolism.
  ☆13Updated 2 years ago
• meowcat / MSNovelist
  ☆61Updated 4 months ago
• tubiana / protocolGromacs
  Automatic gromacs protocol from preparation to production with ligand parametrization through
  ☆59Updated 3 months ago
• czodrowskilab / VSFlow
  ☆85Updated last year
• haddocking / haddock-tools
  Set of useful HADDOCK utility scripts
  ☆49Updated 4 months ago
• willfinnigan / RetroBioCat
  ☆22Updated last year
• HuanLab / BUDDY
  Bottom-up MS/MS interrogation & Experiment-specific global annotation
  ☆28Updated 3 weeks ago
• daenuprobst / theia
  ☆19Updated 6 months ago
• AlBi-HHU / myopic-mces
  ☆14Updated 3 months ago
• FelixBaensch / MORTAR
  MOlecule fRagmenTAtion fRamework
  ☆19Updated last week
• Steinbeck-Lab / coconut
  COCONUT (COlleCtion of Open Natural prodUcTs): A comprehensive platform facilitating natural product research by providing data, tools, a…
  ☆17Updated this week
• moltools / CineMol
  Direct-to-SVG small molecule drawer.
  ☆24Updated 5 months ago
• xchem / fragalysis
  A repo for analysis of ensembles of protein-ligand complexes
  ☆29Updated last year
• volvox292 / mass2smiles
  deep learning based prediction of structures and functional groups from MS/MS spectra
  ☆9Updated 11 months ago